#DEFINITION	Reference Metabolome for Zea mays
#IDENTTFIER	RefMeta-Zea mays.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Zea mays
#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 Zea mays was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.375
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06499	1.2
70.74762	0.5
71.04932	0.6
72.08067	5.7
77.03817	0.6
81.01104	0.6
81.03323	3.9
83.04914	0.7
84.08090	0.6
85.02845	1.2
89.03836	9.7
89.10715	1.4
91.04832	1.2
91.05404	32.5
97.02809	1.2
98.05936	0.8
103.05415	1.2
105.03320	0.7
107.04890	1.4
109.02817	3.8
115.08630	1.0
115.47305	0.6
117.03321	21.3
119.04892	51.2
120.05209	0.7
121.02807	0.8
124.03944	0.9
127.03869	0.7
129.03293	0.8
132.02029	1.4
134.03630	1.3
135.04355	3.4
136.05161	0.6
144.32838	0.5
145.02823	72.7
146.03194	0.6
146.05984	8.6
147.04390	44.8
148.04675	0.6
149.02296	1.1
149.05963	8.3
151.03891	1.1
154.20639	0.5
157.03960	2.5
162.05470	21.8
163.03880	0.8
163.05925	0.6
164.04622	0.9
175.03868	64.4
176.04230	1.1
177.05429	100.0
178.05791	2.6
179.07025	3.3
186.05563	0.9
190.04994	1.0
207.06490	77.0
208.06830	1.4
237.02695	0.8
248.12778	6.9
265.15396	39.1
266.15750	0.9
282.02768	2.3
307.16428	1.2
351.10556	2.6
355.16544	1.1
369.11621	2.9
471.21185	4.7
516.41266	0.6
579.23022	2.5
633.26440	8.2
795.31104	3.2
1001.35394	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	1001.6547
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06497	0.3
70.92224	0.1
71.07288	6.0
71.07661	0.3
79.05396	0.2
81.06973	1.2
83.08550	1.3
86.09627	53.6
87.09955	0.8
87.13469	0.2
92.10309	0.3
93.06957	0.5
95.08521	1.2
97.10124	0.4
98.98388	3.4
100.34260	0.2
104.10680	84.7
105.11037	0.8
109.10135	0.3
121.10090	0.6
124.99964	31.9
135.11688	0.3
143.01062	0.8
155.00681	0.2
156.01118	0.1
163.01534	1.0
175.65585	0.2
181.02583	0.2
184.07306	100.0
185.07582	1.5
258.11035	0.7
260.96359	0.2
339.28876	2.0
347.48920	0.2
387.46335	0.2
445.27014	0.9
504.34390	5.7
505.34668	0.6
522.35461	72.6
523.35742	5.1
763.97900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6556
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07294	2.7
79.02739	0.1
81.07004	0.2
83.08560	0.3
86.09632	35.3
87.09959	0.4
95.08581	0.2
97.94607	0.1
98.98396	2.7
104.10690	4.0
124.99966	23.2
125.84478	0.2
130.77069	0.1
143.01013	0.7
143.24425	0.2
159.32922	0.2
166.97752	0.2
184.07317	100.0
185.07639	1.1
239.63263	0.2
350.10556	0.2
504.34314	1.7
522.35510	19.6
523.36194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.6463
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03342	0.9
85.02808	1.5
91.05411	1.7
92.10210	1.8
92.10831	3.9
97.02814	1.3
98.70508	0.8
109.02808	1.5
109.26341	0.8
119.04933	1.2
124.03899	0.9
127.24283	0.8
129.12257	0.8
134.05922	0.8
145.02786	2.0
146.05995	13.1
147.04381	4.0
162.05469	24.1
163.05846	1.7
175.03900	1.6
176.04379	0.9
177.05434	3.5
184.02777	4.3
190.04945	1.3
197.05879	1.2
202.03854	4.0
207.06479	3.1
208.05984	1.0
217.08560	3.3
235.09750	1.5
265.12085	8.1
266.10559	5.4
282.02774	1.9
282.14911	1.5
283.10202	1.5
283.13242	30.0
283.16306	1.3
284.11539	8.7
286.03802	0.9
301.14334	11.3
302.12756	1.0
309.11169	20.9
326.13614	1.4
327.12073	6.9
341.18420	5.0
347.20041	0.9
349.18005	3.7
359.19733	1.0
364.22614	1.8
381.25360	7.5
389.22150	4.1
407.23114	7.9
408.22058	1.3
425.24475	9.5
447.29922	1.4
451.22308	7.6
473.27856	6.4
491.28940	24.7
517.27039	15.4
557.33722	0.9
607.41949	6.9
633.39789	7.6
659.37201	1.5
699.43457	1.0
717.45691	1.9
743.43597	1.7
859.55457	3.8
898.73431	1.4
943.62494	100.0
944.62903	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06503	1.2
71.07291	4.3
72.08066	0.8
76.55713	0.5
81.06963	1.2
86.09625	24.9
87.09943	1.2
92.11096	0.5
93.76019	0.6
95.08582	0.7
95.91005	0.5
98.98418	0.9
104.10677	100.0
105.11021	4.4
124.99965	10.0
150.86198	0.5
172.95216	4.9
184.07301	19.2
185.07645	4.0
186.96690	5.4
190.96237	3.5
198.96739	1.2
204.97830	5.8
216.97804	2.8
228.97737	1.1
242.99298	0.8
243.61372	0.6
319.19394	2.6
337.20514	7.5
360.21832	0.7
395.89880	0.6
427.47955	0.7
473.19788	4.8
487.21143	1.0
499.22107	6.4
520.33734	6.4
521.34229	8.4
522.34174	2.4
558.29395	19.1
838.51892	2.3
893.50635	0.7
917.76788	0.7
974.50500	0.7
1006.54523	10.1
1007.53229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06514	2.4
71.07283	12.2
72.08074	5.3
79.05399	1.4
81.06960	7.3
82.51746	0.9
83.08529	1.0
84.04439	1.4
86.09632	71.3
87.09979	1.4
91.05405	1.5
93.07043	1.2
95.08542	5.7
98.98451	1.0
100.70294	0.9
103.62722	1.1
104.10685	83.8
106.91470	1.0
124.99957	10.9
133.59227	1.0
154.94237	1.4
158.79001	1.0
162.95598	12.3
172.95198	12.4
181.02556	1.5
184.07326	21.6
185.07556	1.7
186.96758	12.2
190.96284	11.4
198.96809	7.6
204.71591	1.2
204.97798	14.5
210.96747	1.1
216.97830	9.9
216.99606	1.0
228.97824	5.4
240.09897	1.6
242.99399	2.5
252.43803	1.1
292.94925	4.4
310.95987	1.9
319.19315	7.1
319.95593	1.1
322.89151	2.0
325.73740	1.0
337.20428	24.8
337.26859	1.2
355.21884	1.6
431.18546	1.1
473.13522	1.5
473.19702	13.7
481.42502	1.1
487.21326	3.9
499.22083	36.9
521.34406	1.1
558.29498	100.0
559.29779	2.2
576.53619	1.1
623.12549	1.2
838.51703	5.9
885.42371	1.5
947.47046	3.4
974.50885	1.7
1006.35175	1.5
1006.54248	28.3
1007.53546	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	1006.6211
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06504	1.0
77.63504	0.9
81.03349	1.7
91.05437	1.2
92.10976	2.0
109.02849	1.5
112.07686	0.9
119.04971	2.0
124.03970	1.4
127.03925	1.3
145.02855	3.2
146.06015	9.6
147.04486	3.8
150.05533	1.5
159.03352	1.1
162.05473	24.0
163.05882	1.4
175.03923	1.7
177.05458	3.8
184.02870	5.8
187.02681	1.4
190.04967	1.5
197.06024	1.5
202.03941	4.6
207.06642	1.6
217.08749	4.5
235.09724	2.1
248.09567	1.1
260.22577	0.9
263.80075	1.1
265.12103	6.6
266.10455	6.6
282.03046	1.5
282.15067	1.1
283.13229	34.5
284.11484	9.0
291.10156	2.2
301.14243	14.2
308.12939	1.2
309.11142	25.0
325.77106	0.9
326.14075	1.5
327.12167	7.8
331.17056	1.2
341.18707	2.0
349.17978	4.5
363.24274	1.7
364.23056	1.8
381.25275	10.5
389.22427	4.3
398.94180	1.0
407.23215	13.0
408.22256	2.1
425.24307	15.2
426.24695	1.2
451.22339	10.9
472.32083	1.1
473.27969	7.2
491.29114	25.0
492.29681	4.4
499.25586	1.2
517.26971	16.1
557.34088	1.4
607.42896	8.1
607.50916	1.0
633.40100	10.3
659.37842	1.7
717.45563	4.9
743.44012	3.6
859.56866	5.6
870.13080	1.1
943.62439	23.5
943.79712	1.3
944.62500	5.1
945.63300	7.7
946.63531	5.8
1006.62030	100.0
1007.62341	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	1010.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07285	3.8
77.60637	0.6
86.09633	22.2
104.10680	100.0
112.34005	0.8
124.99964	1.0
131.60921	0.7
142.22940	0.8
163.24301	0.7
172.95262	3.7
184.07324	2.6
186.96770	3.4
190.96266	3.4
198.96764	2.8
204.97804	4.3
216.97882	3.1
228.97823	1.3
230.16689	0.8
289.54214	0.7
339.21948	3.0
339.28790	1.4
475.21207	3.4
501.23758	11.2
550.24261	1.0
560.31073	46.6
561.31421	3.5
640.33563	0.8
761.44727	0.9
799.30963	0.8
842.55579	1.4
1010.57214	9.9
1011.57495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53217	0.2
70.64439	0.2
71.95162	0.8
72.73959	0.2
86.09605	0.2
94.04127	1.0
97.10006	0.2
98.96943	0.6
98.97503	24.2
116.98568	38.1
122.03590	2.5
134.99626	49.6
137.05951	35.0
137.07036	0.4
138.06346	0.4
140.00204	1.0
153.00677	12.8
158.01266	1.9
176.02240	0.3
197.01213	2.5
198.01953	1.0
208.10074	0.5
211.02776	1.5
215.02206	0.9
216.02937	0.4
220.00357	2.0
224.09549	1.6
226.01439	0.3
226.11096	13.4
229.03831	0.4
235.02715	30.6
236.03114	0.9
238.01436	3.1
241.03848	0.4
242.10605	1.3
244.12161	12.6
253.03783	97.4
254.04167	2.0
267.05426	0.4
267.13693	0.4
268.12115	3.5
271.04849	7.3
276.05396	5.6
277.05710	0.3
280.12122	1.1
286.13205	1.1
298.13184	0.2
315.05005	0.3
329.13037	2.2
344.15186	5.0
347.14029	0.3
362.16312	2.8
365.63617	0.3
404.17358	100.0
405.17688	3.7
417.96017	0.2
422.18460	0.4
494.80997	0.3
534.64331	0.2
677.05103	0.2
709.37097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.6868
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07291	4.9
71.07661	0.3
71.08543	0.2
81.06981	0.2
81.25232	0.1
83.08550	0.3
86.09632	43.2
87.09969	0.6
91.39600	0.1
95.08529	0.6
97.10060	0.2
98.98396	4.1
100.87772	0.1
104.10684	29.6
105.10986	0.2
124.99969	30.1
140.73425	0.2
143.01039	0.9
146.98140	0.9
163.01517	0.2
184.07315	100.0
185.07648	1.1
186.38550	0.1
198.08888	0.6
258.11069	0.2
313.27274	0.8
339.28946	0.3
475.21201	0.2
478.32822	2.2
496.33932	18.9
497.34103	1.1
504.33936	0.7
522.35486	15.8
523.36127	1.1
532.09424	0.2
544.33337	1.0
561.91180	0.2
625.45111	0.2
679.40607	0.2
996.54645	0.2
1017.68542	6.4
1018.68317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.6752
Annotation	Unknow
Peak:m/z	Relative Intensity
71.95164	0.5
72.95932	0.4
74.97498	0.2
83.08497	1.1
90.17195	0.2
92.98559	0.3
97.96715	0.3
109.48955	0.2
110.97497	0.3
123.01112	0.2
128.98499	0.3
137.02591	0.2
141.02194	0.5
146.99660	1.4
147.03262	0.2
155.03735	1.1
159.03273	0.4
162.05438	0.2
165.00648	0.3
169.05353	0.2
171.03232	0.4
173.04752	1.2
175.02733	0.2
177.04277	0.3
181.05217	0.4
183.03293	0.3
185.04781	1.0
187.02756	0.4
187.06390	0.3
189.04228	1.3
189.07921	0.9
191.05864	0.4
193.03705	0.3
195.06909	0.8
197.01120	0.2
197.04869	0.2
197.08403	0.3
199.06337	2.1
201.04314	0.4
201.07846	0.4
203.05859	2.6
205.07300	0.3
207.09019	0.8
209.04858	0.2
211.06268	1.4
211.10130	0.3
213.07954	7.9
215.05789	0.4
215.09444	0.8
217.07430	7.5
219.08905	0.4
221.06668	0.2
221.08444	0.8
223.06445	0.4
223.10092	0.4
225.07904	4.2
225.11436	0.3
227.09538	0.4
229.07433	7.9
229.10814	0.3
231.08987	18.6
233.10472	0.2
235.06355	0.3
235.08470	0.2
237.07892	2.0
239.09508	4.1
241.11055	7.6
243.08992	5.7
245.07047	0.3
245.10577	0.5
247.08488	10.5
248.09001	0.2
249.10031	0.3
251.09441	5.7
251.11801	0.3
252.09088	0.2
253.11086	0.8
254.10570	0.3
255.08957	4.4
257.07550	0.3
257.10510	5.7
259.12112	16.8
261.10107	0.5
264.12711	0.3
269.10541	43.2
270.10928	0.9
271.12039	1.2
273.10101	3.3
275.11710	0.3
281.10522	0.9
282.13916	0.3
285.10080	0.3
287.11597	33.5
288.11993	0.4
291.16321	0.3
292.12167	1.7
307.19345	0.3
309.17319	0.4
310.13101	0.8
315.16257	1.1
321.17374	0.3
323.18738	1.1
327.18646	0.3
333.17258	15.1
334.17575	0.4
339.18332	0.8
351.18353	44.4
352.18765	1.5
369.19388	68.6
370.19635	2.6
374.19958	1.9
387.20450	76.2
388.20850	3.0
392.20749	0.4
394.19647	0.2
410.22046	3.8
462.54022	0.2
581.33887	0.8
681.42444	0.8
699.43414	100.0
700.43793	7.8
700.53040	0.2
937.56512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.675
Annotation	Unknow
Peak:m/z	Relative Intensity
86.03375	0.3
96.48038	0.4
103.87274	0.4
111.70892	0.6
141.02008	0.4
145.02762	0.8
146.99600	1.9
147.04326	0.7
162.05467	0.6
167.06973	0.8
171.03242	0.5
173.04742	0.4
177.05476	0.8
185.04744	0.4
191.05722	0.6
195.06775	0.7
199.06415	1.9
201.07918	0.6
203.05853	2.4
204.76974	0.4
205.07431	0.7
207.09064	0.6
211.06384	0.7
213.07971	5.5
217.07431	6.9
225.07881	2.4
227.09401	0.4
229.07451	4.3
229.11119	0.5
231.09004	16.2
237.07889	0.7
239.09476	6.2
240.91383	0.5
241.11089	6.5
243.08984	4.2
245.10510	2.4
247.08481	7.5
251.09422	3.3
253.11061	0.8
255.08965	5.4
257.10547	13.3
258.07568	0.9
259.12122	19.3
260.12442	0.6
267.08926	0.6
269.10550	30.7
270.10889	0.8
273.10077	6.3
275.11636	7.3
287.11615	24.0
288.11801	0.6
292.12277	0.5
309.17212	0.8
333.17334	4.3
351.18396	19.2
352.18427	0.7
369.19382	48.6
370.19714	2.2
387.20474	100.0
388.20914	4.2
392.21030	0.5
405.21332	0.8
410.22052	7.9
524.55048	0.5
699.43451	87.1
700.43927	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	1033.561
Annotation	Unknow
Peak:m/z	Relative Intensity
78.36555	0.2
79.05412	6.2
81.03318	1.1
81.06511	0.5
81.06979	15.6
83.04903	0.6
83.08041	0.6
83.08541	16.1
84.04432	1.1
85.06465	0.5
85.10084	2.0
86.09635	1.3
91.05405	1.4
93.06446	0.4
93.06982	9.3
95.04887	0.4
95.08537	15.5
97.06449	2.9
97.10100	10.1
98.98397	9.5
99.08046	0.4
101.07088	0.3
107.08535	6.6
109.02850	0.6
109.10110	7.3
111.08054	1.9
111.11663	2.4
116.99448	0.5
120.08076	0.2
121.10098	8.3
123.11668	1.6
125.09589	1.3
135.11667	5.6
139.11156	0.6
149.13263	2.7
151.14804	0.4
153.12733	0.5
155.01050	3.9
160.06544	0.2
163.14815	0.5
167.14230	0.5
173.02023	0.6
186.72948	0.3
247.24236	1.0
261.03760	0.4
261.80472	0.3
265.25311	2.2
275.36145	0.3
290.86630	0.3
317.06262	0.4
335.07086	0.3
337.27203	1.9
339.28888	100.0
340.29221	4.4
427.30521	0.5
437.09625	0.2
563.29407	1.2
581.30865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08064	3.6
79.05406	4.6
86.09647	1.1
89.03864	8.1
91.05402	15.6
94.04028	0.9
95.04910	2.2
98.05985	1.5
98.52573	1.0
103.05354	1.2
105.03379	1.1
105.07003	1.2
106.04124	0.9
107.04903	9.2
109.02855	1.6
117.03339	29.3
119.04894	25.1
122.03661	1.2
123.04422	3.3
124.05193	3.2
125.05959	1.2
128.06198	0.9
131.04877	1.8
133.02887	1.0
133.97688	0.8
134.03590	1.8
135.04399	4.0
137.05974	16.4
144.05710	0.9
145.02832	87.7
145.06535	1.0
146.03207	1.6
146.05988	7.2
147.04395	51.0
149.05995	10.3
151.03880	1.7
151.07553	1.3
160.05249	1.5
161.05952	2.0
162.05495	8.7
163.03880	4.0
163.05818	1.4
165.05426	3.7
167.07016	29.4
173.06018	1.3
175.03848	1.8
175.07494	1.9
177.05443	100.0
178.05836	3.5
181.04924	5.8
189.09048	0.9
191.03235	1.1
195.57777	1.0
201.05511	1.9
207.06465	1.9
217.08572	2.1
233.07910	1.0
241.08557	0.9
245.08197	1.1
255.10039	1.0
258.04001	0.8
261.08917	1.4
291.13300	15.3
305.08075	1.0
337.10489	1.3
345.05103	1.0
351.12451	1.5
365.10165	1.3
383.14899	1.9
399.14545	1.1
409.12543	4.2
417.15302	1.2
427.13995	1.2
429.15207	1.0
439.18417	3.8
531.19977	1.4
533.17853	1.6
550.18164	1.5
575.18988	1.6
593.19879	1.3
681.29681	3.6
809.33325	1.7
815.31921	1.1
827.32886	3.3
845.34430	1.4
857.35449	6.1
858.34814	1.2
955.34204	1.1
986.82611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06526	1.6
59.07312	0.5
60.08091	17.7
63.60124	0.1
69.03342	0.8
76.18991	0.1
86.05978	0.6
87.03862	0.1
87.04388	2.7
103.99137	0.1
104.10672	100.0
105.11004	0.9
106.48277	0.1
109.88121	0.1
124.39163	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	1042.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
72.40785	0.6
73.22707	0.6
79.05405	9.4
80.10588	0.7
81.06516	1.2
81.06975	34.8
83.04870	0.8
83.08532	8.5
84.04418	3.7
85.06442	0.8
86.09608	3.5
91.05404	6.9
93.06979	8.0
95.08534	25.9
97.06451	1.6
97.10103	6.5
105.06951	4.7
107.08546	6.1
109.10103	11.1
110.07043	0.8
111.11644	1.2
112.99194	1.5
112.99967	38.1
119.08524	4.6
120.08031	1.5
121.10124	5.1
123.11626	3.0
133.10086	4.4
135.11655	1.3
137.13248	0.9
147.11638	1.8
149.02301	8.5
149.13181	1.1
161.13217	1.3
169.02605	15.4
175.14638	0.7
181.14552	0.7
187.03633	1.6
189.16464	0.9
191.32941	0.7
193.04883	4.9
245.22699	1.3
263.23557	4.8
337.27304	100.0
338.27621	6.5
431.25262	3.4
577.13074	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	105.091
Annotation	2-Methyl-1,3-butanediol
Peak:m/z	Relative Intensity
53.00251	2.7
53.99783	0.1
54.01033	0.1
54.81422	0.1
55.01813	0.4
55.35094	0.1
56.41754	0.1
56.96503	1.6
57.03360	0.3
57.07020	0.2
59.06883	0.1
60.04455	1.2
60.08105	0.4
60.95789	0.2
61.08421	0.7
63.23637	0.1
64.95480	0.1
67.05427	2.6
69.03355	1.1
69.06987	100.0
70.03688	0.1
70.07320	1.1
70.97902	0.1
71.00706	0.1
75.04399	0.2
79.05402	0.1
80.56728	0.1
82.98676	0.1
84.01484	1.3
84.51627	0.1
85.79648	0.1
87.04382	0.6
87.06322	0.1
87.08031	7.7
88.03902	0.1
88.04728	0.7
91.48098	0.1
91.52007	0.4
92.03021	0.2
93.02008	2.3
95.04897	0.1
100.02395	0.4
104.52816	0.1
105.04396	0.2
105.06976	0.7
105.09096	0.2
105.10397	0.4
105.11010	5.7
118.03455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
88.00840	0.2
159.21536	0.3
199.05125	0.2
219.02719	0.2
341.97598	0.2
381.07877	100.0
382.08081	1.8
618.44867	0.3
697.95367	0.3
970.17004	0.3
1090.76416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04631	1.0
79.05396	1.8
81.03351	1.0
84.08065	2.8
86.09628	2.8
89.03835	7.9
89.69708	0.4
91.05405	4.9
94.04135	0.7
95.04893	1.1
98.05968	2.0
99.09137	2.5
103.05400	2.8
105.06995	0.7
107.04894	3.4
109.02855	0.8
110.07122	3.8
115.05397	1.8
115.08607	1.8
117.03332	23.5
117.06969	2.1
118.03564	0.5
119.04910	5.1
120.08048	0.9
121.06504	1.5
122.03576	2.0
123.04398	0.9
123.70570	0.5
124.05159	1.0
125.05949	0.6
129.10197	1.1
131.04907	2.9
133.02812	5.0
133.06497	0.6
134.03554	0.7
135.04379	5.0
136.05147	0.6
137.05966	20.6
145.02831	71.3
145.06444	3.4
146.03189	1.9
146.05989	3.3
147.04402	10.0
147.08014	0.6
148.05122	0.6
149.05968	10.8
150.06783	0.6
151.03848	1.7
151.07555	3.4
152.04626	0.5
153.05484	2.2
155.05943	0.6
159.08002	0.7
161.05983	2.9
162.05493	5.1
163.03879	2.7
163.07500	1.0
165.05458	2.6
167.06998	17.1
167.08328	0.8
168.07378	0.5
171.06401	0.5
173.05936	3.8
175.03873	0.6
175.07491	2.2
176.38728	0.5
177.05440	100.0
178.05905	3.2
179.06938	0.8
181.04904	13.6
181.06383	0.8
186.05441	1.1
189.09119	1.1
190.04933	0.6
191.03381	1.1
191.06972	4.1
201.05396	0.6
203.06985	1.7
205.04750	0.5
207.06551	1.8
215.06923	0.5
217.08635	0.6
218.11685	0.6
223.07570	0.8
233.07967	0.8
234.07074	0.5
235.09618	0.5
240.07565	0.6
241.08672	0.7
248.12810	2.8
251.06946	0.5
253.08459	0.5
255.10059	0.6
261.12219	0.5
262.10687	0.5
263.06955	0.6
263.13907	1.9
265.15506	1.7
267.06476	0.5
273.12238	0.6
277.08347	0.5
283.09735	0.8
291.10284	0.9
291.13309	16.8
293.07855	0.9
305.07947	0.7
313.10516	1.0
321.10880	0.5
323.08926	0.9
325.10849	0.5
337.10590	2.2
339.12274	0.6
341.09641	0.6
349.10886	0.7
351.08453	1.1
353.13675	0.5
381.13211	5.4
382.14249	0.8
393.18234	0.6
395.24976	0.5
397.12796	2.1
417.15198	2.8
437.17041	0.7
439.18515	5.5
440.18600	0.5
441.20218	0.9
511.60571	0.5
545.18109	1.0
547.19257	2.0
564.19763	2.2
565.20581	9.0
566.21039	1.0
573.17743	0.7
577.20605	0.8
613.22614	2.1
679.27765	0.8
698.22839	1.9
713.25922	0.9
741.25128	5.0
829.35400	9.0
855.33093	1.9
1005.39832	10.7
1006.40027	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04631	1.0
79.05396	1.8
81.03351	1.0
84.08065	2.8
86.09628	2.8
89.03835	7.9
89.69708	0.4
91.05405	4.9
94.04135	0.7
95.04893	1.1
98.05968	2.0
99.09137	2.5
103.05400	2.8
105.06995	0.7
107.04894	3.4
109.02855	0.8
110.07122	3.8
115.05397	1.8
115.08607	1.8
117.03332	23.5
117.06969	2.1
118.03564	0.5
119.04910	5.1
120.08048	0.9
121.06504	1.5
122.03576	2.0
123.04398	0.9
123.70570	0.5
124.05159	1.0
125.05949	0.6
129.10197	1.1
131.04907	2.9
133.02812	5.0
133.06497	0.6
134.03554	0.7
135.04379	5.0
136.05147	0.6
137.05966	20.6
145.02831	71.3
145.06444	3.4
146.03189	1.9
146.05989	3.3
147.04402	10.0
147.08014	0.6
148.05122	0.6
149.05968	10.8
150.06783	0.6
151.03848	1.7
151.07555	3.4
152.04626	0.5
153.05484	2.2
155.05943	0.6
159.08002	0.7
161.05983	2.9
162.05493	5.1
163.03879	2.7
163.07500	1.0
165.05458	2.6
167.06998	17.1
167.08328	0.8
168.07378	0.5
171.06401	0.5
173.05936	3.8
175.03873	0.6
175.07491	2.2
176.38728	0.5
177.05440	100.0
178.05905	3.2
179.06938	0.8
181.04904	13.6
181.06383	0.8
186.05441	1.1
189.09119	1.1
190.04933	0.6
191.03381	1.1
191.06972	4.1
201.05396	0.6
203.06985	1.7
205.04750	0.5
207.06551	1.8
215.06923	0.5
217.08635	0.6
218.11685	0.6
223.07570	0.8
233.07967	0.8
234.07074	0.5
235.09618	0.5
240.07565	0.6
241.08672	0.7
248.12810	2.8
251.06946	0.5
253.08459	0.5
255.10059	0.6
261.12219	0.5
262.10687	0.5
263.06955	0.6
263.13907	1.9
265.15506	1.7
267.06476	0.5
273.12238	0.6
277.08347	0.5
283.09735	0.8
291.10284	0.9
291.13309	16.8
293.07855	0.9
305.07947	0.7
313.10516	1.0
321.10880	0.5
323.08926	0.9
325.10849	0.5
337.10590	2.2
339.12274	0.6
341.09641	0.6
349.10886	0.7
351.08453	1.1
353.13675	0.5
381.13211	5.4
382.14249	0.8
393.18234	0.6
395.24976	0.5
397.12796	2.1
417.15198	2.8
437.17041	0.7
439.18515	5.5
440.18600	0.5
441.20218	0.9
511.60571	0.5
545.18109	1.0
547.19257	2.0
564.19763	2.2
565.20581	9.0
566.21039	1.0
573.17743	0.7
577.20605	0.8
613.22614	2.1
679.27765	0.8
698.22839	1.9
713.25922	0.9
741.25128	5.0
829.35400	9.0
855.33093	1.9
1005.39832	10.7
1006.40027	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
75.09142	0.3
81.03268	0.2
84.08054	0.7
91.05404	7.7
92.05692	0.1
97.02819	0.2
107.04879	0.2
112.11200	2.3
119.04895	18.9
120.05235	0.6
124.03902	0.2
129.13840	1.5
145.02777	0.2
146.05983	0.5
146.16479	0.6
147.04385	100.0
148.04715	2.5
153.01773	1.2
154.02118	0.2
155.11768	1.4
162.05437	1.2
171.02885	0.2
172.14453	0.5
176.10661	0.6
177.05446	0.2
201.05428	0.1
203.11758	5.2
204.10168	52.9
205.10484	2.1
218.11758	2.9
221.12801	3.9
248.92659	0.1
263.06967	0.2
269.08542	0.1
274.19083	2.8
275.17465	10.8
276.17911	0.5
292.20139	19.4
293.20474	0.9
318.17914	0.3
323.09088	0.7
367.16385	0.7
420.22833	0.3
421.20996	1.3
437.22879	0.2
438.23785	54.9
439.18344	0.5
439.24042	3.8
739.29938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.6817
Annotation	Unknow
Peak:m/z	Relative Intensity
76.03864	0.3
81.49568	0.4
84.04411	0.9
86.09639	2.6
87.61285	0.3
92.98521	0.5
102.92506	0.8
104.10635	1.9
110.07069	0.3
116.98562	0.4
120.08037	0.5
120.93575	0.4
124.99917	0.5
134.99619	0.4
136.93092	0.8
143.96904	0.4
146.99664	0.7
150.94640	0.7
154.94136	3.6
156.95740	0.5
168.95685	4.5
172.95200	23.9
184.07324	2.5
186.96748	59.9
187.97144	0.4
189.00047	0.4
189.04381	0.4
190.96240	21.8
195.96780	0.5
198.96750	0.6
204.97820	73.9
208.97176	0.5
209.98315	3.7
210.96657	2.8
212.98386	0.8
222.98845	1.8
224.98270	4.1
226.99922	2.0
227.99277	2.7
228.97813	12.6
230.99377	0.7
242.99370	16.7
245.00876	3.4
246.98952	2.8
251.99408	0.7
261.00323	2.7
266.01120	0.6
317.17834	0.7
319.19351	16.5
320.20071	0.5
335.18985	3.2
337.20419	50.2
338.20743	2.6
355.21393	3.7
360.22028	2.7
375.22098	2.4
393.22952	0.8
399.15796	0.9
413.17459	4.5
427.19083	2.8
431.18701	3.8
445.19980	0.8
454.20132	0.5
455.18622	5.6
469.20184	6.9
470.20523	0.5
473.19678	44.1
474.19897	3.2
487.21231	100.0
488.21429	6.1
496.21136	1.4
514.22308	0.5
783.44751	0.9
982.54077	0.6
1041.10449	0.5
1052.21240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
77.11980	0.5
78.04612	0.9
79.05396	0.9
81.03332	1.0
84.08092	0.8
85.02842	0.5
88.43825	0.6
89.03838	10.0
91.05412	5.2
92.10799	0.7
93.06966	0.9
94.04100	0.7
95.04903	3.7
98.05984	1.4
99.09130	1.2
103.05402	2.8
105.06976	1.0
105.48853	0.6
106.04095	0.8
107.04905	5.1
109.02811	2.4
111.04386	0.8
115.05391	2.6
115.08659	0.9
117.03327	26.0
117.06960	1.5
119.04874	2.7
121.06454	1.2
122.03581	1.3
123.04360	2.4
124.05166	1.4
128.06174	0.6
130.06499	1.1
131.04866	2.9
133.02811	2.6
133.06464	1.0
134.03654	2.8
135.04402	5.1
137.05945	15.9
145.02829	80.3
145.06480	4.6
146.03238	2.8
146.05969	7.7
147.04399	3.2
148.05156	0.8
149.05951	12.4
151.03877	1.2
151.07526	4.1
152.04718	0.8
159.08012	0.9
161.05978	5.2
162.05449	8.5
163.03868	3.6
163.06000	0.6
163.07547	2.4
165.05428	3.7
167.07002	26.9
173.05942	4.6
174.06723	0.8
175.03854	0.8
175.07520	3.7
177.05437	100.0
178.05843	3.9
179.07007	1.1
181.04913	17.1
181.06398	1.1
191.03392	1.1
191.07071	4.8
193.04913	1.5
193.08545	0.8
203.06944	1.4
205.08580	1.2
207.06476	3.4
217.08598	1.2
233.08064	1.3
235.09668	1.0
248.12738	4.3
255.10042	0.8
261.12173	0.8
263.13879	0.7
265.15439	3.1
268.47757	0.6
282.02853	0.7
291.06342	0.8
291.13306	14.0
299.09146	0.8
303.13336	0.8
307.09518	0.8
323.09106	1.1
357.13135	2.9
369.13303	0.9
381.13223	6.0
382.13950	0.8
385.12662	0.7
387.14456	0.8
390.13779	0.7
397.13013	1.5
417.15298	5.7
431.16788	0.7
437.16962	0.9
439.18414	3.8
441.20047	2.4
547.19067	1.3
564.19910	2.5
565.20715	7.4
573.45483	0.7
595.21332	3.7
643.23383	1.5
646.34082	0.6
661.27209	0.9
679.27667	0.7
771.25787	1.2
857.33868	0.9
859.36365	5.4
1035.41675	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	1105.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03840	0.9
84.08070	1.4
86.09633	2.1
89.03840	22.1
91.05396	4.0
92.10898	1.1
94.04131	1.4
95.04904	2.0
98.05978	4.2
101.67204	0.8
103.05368	1.3
105.03323	1.6
107.04906	1.5
109.06457	2.0
111.04306	1.5
115.08636	1.4
117.03323	39.5
117.06972	1.0
118.03602	1.2
119.04916	5.0
122.03577	3.7
123.97841	0.8
125.05958	1.6
131.22835	0.9
133.02823	20.8
134.03563	3.9
135.04387	5.9
137.05957	40.9
138.06282	1.1
141.98511	0.9
145.02834	83.4
145.06494	2.1
146.03188	4.0
146.06009	10.1
147.04387	4.2
149.05983	12.0
151.07494	8.3
153.05418	4.6
157.62570	1.1
158.03632	1.2
161.05934	4.8
162.05443	10.5
163.03870	2.2
163.07516	1.0
165.05435	3.6
167.07028	5.1
173.06044	3.1
175.03900	2.1
175.07486	3.8
177.05438	100.0
178.05850	2.0
179.07001	1.4
186.03116	1.9
190.04889	1.2
191.03465	1.9
191.06996	1.4
201.05452	23.2
205.06525	1.1
207.06467	3.4
213.05418	8.5
223.07372	1.2
224.08205	1.2
231.06393	7.1
233.05846	4.8
234.06677	1.9
235.07478	1.4
240.79399	0.9
246.11113	1.5
247.07420	1.9
247.14323	1.2
248.08168	2.1
248.12727	2.2
249.05690	1.6
250.06230	3.7
251.06926	2.1
251.10661	1.2
261.05365	1.3
262.06329	2.0
263.07028	4.9
263.09946	0.9
264.07669	3.8
265.08572	5.5
265.15433	5.4
266.22293	1.1
267.06573	1.1
275.06955	1.6
276.07773	1.8
277.05057	1.5
277.08395	4.5
278.05698	4.1
279.06549	2.2
279.09793	1.7
281.08118	1.7
282.89291	1.0
289.04889	1.3
290.05676	4.0
290.09152	0.9
291.06329	5.0
291.09900	1.5
291.13409	4.2
292.07266	2.2
292.13727	1.2
293.07974	8.3
300.17737	1.0
302.05884	1.3
303.06384	5.4
304.07141	6.0
305.04556	1.3
305.07925	4.6
306.05307	1.1
306.08655	1.3
307.06134	1.7
307.09595	4.9
308.06696	1.4
309.10953	1.4
310.08188	1.1
317.07950	1.6
319.05896	2.0
319.09427	4.1
320.06921	1.2
321.07486	10.6
321.11084	2.0
322.08151	2.3
323.08926	1.2
325.10654	6.0
333.07568	9.4
334.08362	1.6
335.09106	6.9
336.09732	1.8
337.10605	8.9
339.12320	8.5
349.10767	2.2
350.07855	2.1
350.11462	6.5
351.08630	1.1
351.12271	12.8
353.10226	17.0
365.10187	26.5
367.11435	4.7
383.10944	1.3
395.11252	2.2
427.22348	1.3
439.18396	5.5
441.19742	4.3
486.12573	1.8
498.12680	1.3
499.13120	1.4
503.16968	2.2
515.16815	3.4
516.14502	1.1
531.15979	1.6
533.18134	3.4
541.14551	1.7
559.15320	2.1
597.21704	1.4
603.26508	4.4
604.26031	1.2
617.24445	4.9
621.27679	6.4
629.24695	5.4
647.25995	13.7
648.24323	1.8
767.30774	4.9
793.29016	3.7
797.32550	21.4
798.32458	1.5
823.29816	6.1
881.39697	9.5
893.37939	1.6
911.24457	1.3
911.40649	28.8
912.39465	3.9
929.40063	4.4
939.72028	1.2
1057.42908	4.6
1087.45471	9.2
1088.42761	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04623	0.7
79.05422	0.5
81.03330	0.5
85.02819	0.4
89.03840	11.4
89.10706	1.9
91.05406	3.1
95.04925	0.4
98.05978	0.8
103.05386	0.6
105.03325	0.4
107.04898	1.7
109.02840	1.4
115.05388	0.5
115.08629	1.4
117.03336	25.8
118.03663	0.4
119.04909	3.5
122.03597	0.5
124.03963	0.5
124.05115	0.4
127.03867	0.4
131.04918	0.5
133.02802	6.2
134.03572	2.0
135.04372	2.3
137.05960	12.3
145.02831	69.4
146.03255	0.8
146.06018	5.6
147.04370	3.0
149.05975	8.7
152.06198	0.9
153.07002	2.3
160.05138	0.6
161.05951	1.4
162.05475	9.6
163.03925	0.8
167.06998	1.6
174.03093	0.7
174.05431	0.5
175.03932	4.9
175.07542	0.8
176.04652	1.5
177.05440	100.0
178.05804	2.6
181.06476	4.2
181.07948	0.4
181.08449	0.3
182.07228	0.7
186.05446	0.6
187.07497	0.5
190.05063	0.4
191.03366	0.5
197.05811	0.4
198.06750	2.4
201.05408	4.5
205.06453	2.0
207.06485	1.7
209.05945	3.3
211.07404	0.7
213.09109	2.8
215.07111	0.6
219.06451	0.6
222.06638	0.4
226.06236	2.6
230.07997	0.8
231.06454	4.0
233.05923	2.2
234.06697	0.5
237.05507	0.6
239.06897	0.8
241.08554	6.6
243.06386	0.8
248.12811	3.5
249.05350	1.3
249.07561	4.8
250.06146	0.8
251.06961	0.5
252.07910	0.5
254.05653	2.3
255.06377	0.9
261.05536	0.5
261.09103	0.5
262.06415	0.5
263.06961	0.7
264.07736	0.9
265.08630	1.5
265.15405	15.0
266.15753	0.6
267.06421	0.5
269.08005	11.1
270.08640	1.6
271.05984	3.2
273.11200	2.2
276.07712	0.6
277.08655	0.7
278.05728	0.7
279.06430	1.7
280.07224	0.5
283.09518	0.4
284.12784	0.5
286.08270	3.1
291.06845	0.6
291.10208	0.7
291.13281	4.8
292.07172	0.8
293.07892	3.5
294.08606	0.7
295.05963	3.2
295.09583	1.8
297.07538	0.5
301.10657	50.6
302.11069	3.0
307.09442	0.8
308.06897	0.7
310.08334	1.8
321.07324	0.5
321.11554	0.4
322.08124	0.5
322.12024	0.4
323.09149	1.5
325.10791	0.6
329.10162	11.6
337.17651	2.9
343.11832	0.5
349.10675	1.6
351.08643	1.5
353.10107	20.7
354.10400	0.7
357.09854	0.7
367.11679	2.2
369.13379	0.4
395.11276	1.9
413.21002	0.5
417.20285	3.8
438.06967	0.4
439.18594	0.8
441.20074	6.7
443.17932	0.5
453.20062	0.5
477.20099	1.9
503.17007	0.7
513.22266	8.4
516.14380	3.5
531.16461	1.8
559.15625	0.5
593.24854	8.8
594.25299	0.6
617.25049	3.2
618.25330	0.5
619.26062	0.6
621.27704	0.9
629.24573	0.8
630.23199	0.5
647.25793	8.6
648.25189	0.6
655.46130	0.4
797.33020	4.3
797.45575	0.6
823.30579	3.2
911.40802	6.7
912.41809	0.6
1087.45142	5.1
1088.45313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.6324
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05411	21.8
81.03345	1.2
81.06977	75.5
83.04944	1.4
83.06026	5.6
83.08548	15.5
84.04431	28.3
84.04935	1.3
85.02838	7.5
85.04779	0.8
85.06461	3.1
85.10155	0.8
86.09631	35.3
87.05515	2.9
87.09933	1.3
91.03878	4.4
91.05414	21.9
93.06977	25.4
95.04908	5.2
95.08536	71.7
95.61808	0.7
96.60293	0.6
97.02826	7.0
97.06456	6.7
97.10115	10.7
98.05982	1.3
98.98395	32.3
99.04386	1.0
99.08047	4.6
101.07075	11.4
103.05380	2.9
105.06981	10.2
107.08539	15.8
109.06504	0.9
109.10110	32.0
110.07140	6.6
111.08038	3.6
111.11703	1.5
113.09588	1.2
115.08633	3.7
116.99435	1.0
119.08549	11.3
120.08068	21.0
121.10102	16.1
123.08062	1.2
123.11652	13.5
125.09599	1.2
127.03874	1.0
128.08150	3.1
129.06546	9.4
133.10094	14.5
135.11662	9.9
136.07559	13.8
137.09628	1.8
137.13266	6.1
138.12729	1.2
139.11212	1.1
141.06599	0.8
141.10191	5.2
145.05011	1.2
146.09258	1.0
147.11650	10.0
149.13232	6.4
151.11188	1.1
151.14822	5.0
152.10684	1.0
152.85364	0.6
155.01012	14.5
157.06061	1.0
157.09717	1.7
157.13414	1.4
161.13199	12.4
163.06070	2.5
163.14777	6.6
165.12704	1.5
165.16389	3.9
167.08186	1.5
169.09689	5.2
169.13391	1.4
173.02130	3.0
175.14828	7.1
177.16365	1.4
179.17978	3.1
181.09697	1.0
183.14963	8.3
184.15201	1.3
185.09196	1.1
187.14407	1.0
189.16359	4.3
191.08382	0.9
193.15860	1.2
195.07611	1.6
197.12859	3.5
206.69785	0.9
207.11299	1.3
207.44974	0.8
211.14450	3.5
212.10211	1.6
217.13313	6.6
226.08183	1.0
226.11890	3.4
227.12018	0.8
233.12971	0.9
239.11345	1.8
240.09680	5.1
242.14941	1.0
242.77467	0.9
245.12866	1.4
245.22603	33.3
257.12585	1.7
263.23636	56.4
264.24121	1.0
281.24734	1.8
282.18219	0.8
333.35507	0.8
337.27313	100.0
338.27493	3.6
355.28400	10.5
356.29477	0.9
368.15213	1.0
370.20975	1.0
407.27908	0.8
417.23865	5.3
425.29239	0.9
435.25317	0.9
481.31210	1.3
499.32611	7.8
569.53741	0.9
646.22034	0.8
652.19421	0.8
661.37280	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	1123.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04638	1.1
81.03337	1.4
84.55408	0.6
85.02811	0.6
89.03841	23.0
91.05399	2.7
93.68736	0.7
95.04874	0.7
98.05980	1.1
103.05412	2.3
105.03376	0.6
107.04900	1.2
109.02836	1.4
115.05436	1.2
115.08641	1.0
117.03327	44.2
117.24284	0.6
118.03680	0.7
119.04916	3.7
121.06461	0.9
124.05184	0.6
127.03851	0.8
130.06485	1.3
131.04878	3.1
133.02823	7.7
134.03571	2.8
135.04399	4.4
135.19856	0.6
137.05951	9.8
144.04431	0.6
145.02827	95.7
145.06493	2.5
146.03192	1.2
146.06007	13.7
146.15636	0.6
147.04413	1.5
149.05971	15.1
151.03920	0.9
151.07542	2.3
153.05411	0.8
158.05849	0.7
159.07953	0.6
160.05215	1.0
161.05956	1.5
162.03328	0.9
162.05481	18.6
163.03912	1.1
163.05821	1.3
165.05464	1.2
167.07021	4.4
171.08020	0.6
174.05461	2.2
175.03880	3.3
175.07536	3.5
177.05435	100.0
178.05840	4.0
179.07031	0.7
181.04980	0.8
186.05490	2.4
187.07533	1.2
189.05319	1.0
190.04953	2.8
191.03358	1.2
192.06526	0.7
201.05449	1.2
205.08478	1.0
207.06503	3.1
208.06102	0.9
217.08632	1.2
219.06499	0.8
231.06406	1.0
233.08026	2.8
235.07501	1.3
242.99046	0.8
248.12759	3.4
265.15417	2.6
277.08627	1.1
279.10162	0.7
282.02676	1.1
284.10245	0.6
289.10724	2.5
291.13339	3.6
307.09506	1.1
310.24863	0.6
315.12283	1.3
316.08002	1.0
323.08926	0.7
351.08472	0.8
357.13519	1.1
439.18552	1.2
441.20227	1.4
452.20459	3.3
471.21301	4.2
473.23065	1.1
487.17603	0.8
495.20984	3.1
603.26270	2.3
604.25476	4.5
621.27936	12.6
629.24664	3.1
647.25861	6.6
649.27289	1.1
665.26819	3.3
671.25854	1.3
735.35718	0.9
779.31696	4.4
797.32764	12.3
798.33179	0.9
805.28973	1.4
815.32574	1.0
823.29431	0.9
893.38971	3.1
894.38068	0.9
911.24567	1.0
911.40637	22.6
912.39728	2.5
929.40857	1.5
1069.42700	3.7
1080.33118	0.7
1087.45361	7.3
1088.45837	0.8
1105.43640	2.9
1107.51270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.6483
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05406	17.9
81.03345	0.8
81.06975	68.7
82.07301	0.5
83.04901	0.8
83.08539	14.1
84.04423	3.3
85.02819	7.4
85.06490	1.2
85.10097	0.8
86.09634	4.1
88.35796	0.3
91.03886	7.0
91.05408	14.8
92.10926	1.4
93.06971	18.1
95.04871	2.0
95.08531	59.4
96.08868	0.8
97.02831	4.4
97.06452	5.1
97.10090	8.2
99.04386	0.4
99.08006	1.7
101.07076	0.5
105.06980	8.7
107.08538	11.3
109.06438	0.8
109.10107	27.3
110.07116	0.8
110.10397	0.6
111.08035	3.0
111.11660	2.2
112.99966	32.6
113.09573	0.7
119.08533	9.6
120.08053	2.6
121.10098	13.7
123.08021	1.4
123.11655	11.8
125.09594	1.7
127.03867	2.8
127.11114	0.5
129.06543	0.8
131.08545	0.5
133.09175	0.6
133.10101	10.8
134.34412	0.3
135.11665	7.7
136.07571	1.7
137.09543	1.4
137.13231	4.3
139.11142	0.4
141.10158	0.6
141.12746	0.7
145.04941	2.9
147.11679	7.4
149.13229	6.0
151.11148	1.2
151.14824	3.4
152.20471	0.4
153.12679	0.5
155.14270	1.6
161.13222	9.5
163.05968	3.6
163.14777	5.6
165.12721	0.6
165.16374	3.2
167.14232	0.5
169.02565	14.0
169.09782	0.6
175.14807	5.4
177.16331	1.4
179.14314	0.4
179.17900	2.8
181.15858	0.5
183.14932	0.6
187.03665	1.3
189.16306	2.3
193.15948	0.4
203.17851	0.7
215.22723	0.3
217.19518	0.5
245.22578	26.5
246.22934	0.5
263.23639	41.6
264.24020	1.5
265.25140	0.7
281.24658	0.5
337.27301	100.0
338.27618	4.2
355.28375	5.4
400.58020	0.3
431.25424	2.1
449.26831	0.3
481.31293	0.4
499.32556	3.4
581.69244	0.3
661.37262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.847
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03335	1.9
82.06506	3.4
83.04888	0.7
83.08543	12.7
84.08075	1.0
87.80597	0.6
89.03838	0.7
89.89730	0.5
91.05408	2.0
92.10928	2.1
97.02863	0.6
98.09620	2.1
100.07563	7.2
100.11194	60.4
101.11514	0.9
107.04871	0.6
109.02839	2.5
110.05986	2.3
111.04395	9.7
112.07568	2.9
117.03284	0.5
119.04901	1.2
126.09126	1.1
127.03866	0.6
127.08648	0.9
128.07040	7.0
129.05403	0.6
139.08640	3.2
140.07057	3.8
144.04442	0.8
145.02840	2.6
146.06003	14.7
147.04364	1.0
147.06363	2.0
147.11627	0.5
149.06082	0.5
162.05486	29.1
163.05806	3.4
164.14359	1.1
166.15852	1.1
174.05464	1.9
175.03864	0.9
177.05411	3.2
181.04941	0.5
182.15384	37.3
183.15810	0.8
183.92378	0.5
190.04979	3.0
190.90619	0.5
192.13828	0.7
195.22798	0.5
207.06549	1.2
208.06085	1.2
209.16475	29.5
210.14880	45.1
211.15158	0.6
226.19131	5.9
227.17496	2.8
228.15862	4.8
247.75279	0.5
282.02707	0.9
300.08539	0.6
309.25412	3.6
326.27954	6.4
334.09186	0.7
335.24280	1.0
336.22769	5.4
337.21170	2.6
343.30582	3.1
373.50345	0.6
410.34012	0.6
435.33569	3.5
452.35675	3.5
453.34033	3.9
552.44446	3.0
569.47217	2.4
678.52478	0.8
679.51025	2.0
738.05994	0.6
817.65753	0.6
1113.83752	6.5
1114.82886	1.0
1131.84619	100.0
1132.84729	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	114.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	4.8
55.05441	0.3
56.96494	0.4
58.02899	0.2
59.04924	0.8
60.08092	0.8
60.95774	0.2
62.68021	0.2
67.05438	0.3
68.04950	1.9
68.52644	0.2
69.03342	0.9
69.06992	7.2
70.06497	0.2
71.02515	0.2
71.02905	7.6
71.04901	0.3
71.08546	0.4
71.52952	0.2
72.04437	7.7
72.08070	0.8
72.93710	0.2
73.03948	0.4
73.29905	0.2
79.05415	7.4
80.03425	9.4
80.53497	0.3
82.53677	1.0
86.09634	0.5
87.00706	0.2
87.04383	1.2
89.03945	0.5
90.94749	0.2
91.48162	0.3
91.52014	0.3
91.54223	0.5
96.08063	5.7
96.08625	0.2
97.06461	2.4
98.02370	0.4
100.02422	0.5
100.48646	0.9
102.58524	0.2
104.90775	0.3
114.05483	1.1
114.09126	100.0
115.03896	1.2
115.09462	2.0
118.03448	0.9
133.14053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0913
Annotation	DMPO
Peak:m/z	Relative Intensity
55.01805	0.7
55.05449	1.2
56.96472	0.2
58.02889	0.4
59.04918	0.4
59.76744	0.2
67.05409	0.2
68.04943	0.8
68.52637	0.3
69.03352	0.3
69.06987	6.2
70.06514	0.3
70.43645	0.2
71.02901	6.0
71.04940	0.2
71.08543	0.4
71.52943	0.7
72.04443	0.4
72.08054	0.7
72.93703	0.2
79.05404	8.4
80.03416	6.4
80.53514	0.4
80.99986	0.2
82.53696	1.3
84.08070	0.3
85.66354	0.2
86.09612	0.7
87.04372	0.3
89.03955	0.5
90.19720	0.2
91.52023	0.3
91.54193	0.3
96.08055	6.6
97.02823	0.2
97.06454	2.4
98.02305	0.2
100.48637	0.3
104.90764	0.3
114.09116	100.0
115.03878	0.8
115.09471	2.2
118.03474	0.3
127.75989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0705
Annotation	Proline
Peak:m/z	Relative Intensity
57.80330	0.1
68.04935	0.1
69.07014	0.1
70.06506	100.0
71.06832	1.3
99.06724	0.1
116.07036	19.7
117.07386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.065
Annotation	Indole
Peak:m/z	Relative Intensity
52.00420	0.5
52.86176	0.4
55.05220	0.9
55.05455	13.9
56.69048	0.4
56.96496	3.2
57.03354	0.6
58.06528	0.6
59.07324	2.4
65.77838	0.7
70.03700	0.7
70.06518	0.8
72.08072	100.0
73.08423	0.7
77.59284	0.6
91.05412	13.5
100.02399	2.0
109.50600	0.6
118.03455	3.0
118.06496	62.0
118.08593	12.9
119.01882	1.1
119.06845	1.0
133.06508	0.5
137.02948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14847	0.4
59.99863	0.5
64.95212	0.5
75.82598	0.4
78.00880	0.6
87.36065	0.5
87.53402	2.4
90.52409	0.5
93.01753	0.5
93.33585	0.5
94.03728	0.5
96.53886	0.8
100.02397	2.0
101.00812	7.9
101.02486	8.5
102.02158	0.6
106.79208	0.6
118.03452	1.0
119.01870	100.0
119.03554	9.3
120.02012	2.3
120.03210	1.2
132.54126	0.5
133.03397	0.6
137.02925	78.0
138.03027	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	119.0491
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.21014	0.5
56.04972	1.0
56.05764	0.8
56.96498	3.9
57.03381	0.7
58.06520	0.9
60.58981	0.6
65.03856	11.2
72.08060	3.9
73.08402	9.9
74.05978	1.7
76.51436	0.7
83.50427	1.6
87.53385	1.3
88.02283	1.1
91.05402	100.0
92.05726	0.9
92.52865	0.8
95.04883	0.8
97.02805	1.2
102.05453	0.8
103.05445	0.9
104.52789	1.2
113.53323	1.1
118.03455	0.9
119.04890	52.8
119.05976	4.3
119.08480	6.4
120.05524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37302	1.3
53.03888	1.5
56.04969	3.6
56.96506	1.5
58.06548	2.4
60.04446	1.5
62.70236	1.3
72.08050	1.5
73.08384	7.6
74.05981	6.8
78.82425	1.6
79.05416	2.6
91.04826	2.6
91.05404	76.8
91.50466	1.4
92.10333	2.2
95.04904	2.2
98.42789	1.7
99.20757	1.7
103.05432	1.7
103.71089	1.5
104.06176	3.9
117.06971	12.6
119.06017	8.4
119.08532	100.0
120.05585	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	119.0852
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.64054	1.1
53.64231	1.2
56.04977	1.6
73.08441	1.5
77.97538	1.2
79.05375	1.4
91.05407	54.8
93.06998	1.9
95.04916	2.1
103.05404	3.1
104.06237	4.3
114.37971	1.4
115.05412	3.1
117.06989	10.8
119.08533	100.0
139.87593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03894	0.7
56.04970	0.7
56.05783	0.6
56.96508	0.9
58.06540	0.6
63.01815	0.4
65.03856	0.5
65.11878	0.4
72.08062	0.6
73.08402	4.2
74.05969	1.4
79.05414	3.4
83.90344	0.3
84.51223	0.6
87.53406	1.5
91.05410	42.7
92.10974	0.9
93.06985	2.6
95.04883	1.6
96.53930	0.5
98.25172	0.4
102.05516	0.4
103.05400	4.4
104.06177	4.8
104.52816	0.8
105.04398	0.4
108.54367	0.3
109.06466	0.6
115.05404	1.9
117.06972	9.3
119.06035	2.2
119.08539	100.0
120.05569	0.7
120.08067	0.4
120.08869	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.597
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04895	0.9
83.06024	2.3
83.08539	6.4
83.49406	0.2
84.04430	14.3
84.08073	0.4
85.04772	0.9
85.06458	0.8
86.09631	13.8
87.05514	1.2
87.09969	0.8
91.05408	7.8
91.05952	0.4
91.36841	0.2
92.05770	0.3
93.04470	0.2
93.06975	7.4
95.04902	1.4
95.08535	20.5
96.04391	0.3
96.08846	0.2
97.06467	1.5
97.07509	0.2
97.10095	3.3
98.02360	0.4
98.05979	1.0
98.98395	6.1
99.08036	0.3
101.05990	0.2
101.07074	5.2
103.05386	1.5
105.07001	3.5
107.08543	4.5
109.02842	0.8
109.06467	0.4
109.10107	7.4
110.05972	0.2
110.07125	3.7
111.05507	0.2
111.08044	0.8
111.11680	0.3
113.07089	0.4
115.08620	1.7
116.06969	0.2
117.98592	0.2
119.04882	0.8
119.08546	3.6
120.08058	9.0
120.08925	0.3
121.08414	0.3
121.10091	3.5
123.08049	0.3
123.11678	2.6
125.07077	0.3
125.09649	0.3
126.05473	0.4
126.09196	0.2
128.08167	1.8
129.06566	4.1
131.08524	0.2
131.11777	0.3
132.07701	0.2
133.10109	3.5
135.11674	2.0
136.07553	6.2
137.07909	0.4
137.09593	0.2
137.13219	1.1
138.12755	0.8
139.08635	0.2
139.11099	0.2
141.06596	0.3
141.10158	1.6
143.08131	0.2
146.09259	0.8
147.11652	1.9
149.13245	0.9
151.11127	0.3
151.14781	0.3
152.10626	0.3
153.06606	0.3
155.01042	1.6
155.08206	0.3
157.06100	0.2
157.09683	0.4
157.13354	0.8
161.13210	1.3
162.10342	0.2
163.14806	1.1
167.08113	1.1
168.08302	0.2
169.09668	2.0
169.13353	1.0
173.13019	0.2
175.14821	0.9
177.16351	0.2
178.13306	0.2
180.11307	0.2
181.06114	0.3
181.09712	1.1
183.11218	0.3
183.14886	4.0
184.15268	0.3
185.09204	0.9
185.12822	0.2
186.08990	0.4
187.14365	0.8
189.16438	0.2
193.13399	0.2
193.15715	0.3
194.09395	0.3
195.07629	1.2
195.11221	0.7
196.14465	0.3
197.12799	1.5
198.08740	0.2
198.12341	0.2
199.18115	0.2
201.12340	0.2
202.08330	0.2
203.11763	0.3
207.11249	0.4
207.17430	0.2
208.10886	0.2
209.05589	0.3
211.12242	0.4
211.14429	2.3
212.10294	1.2
214.15500	0.8
215.13902	0.2
216.09804	0.3
217.13342	3.3
222.08752	0.2
223.07121	0.4
223.09386	0.2
223.15405	0.2
224.13971	0.3
225.12260	0.2
226.11832	1.8
231.11293	0.3
233.12860	0.7
233.16451	0.4
236.60512	0.2
238.11836	0.4
239.11354	2.3
240.09724	2.9
240.13460	0.2
241.09991	0.2
242.14915	1.5
243.10915	0.7
245.12732	1.5
245.22614	0.7
249.15913	0.2
252.13458	0.2
254.15002	0.2
257.12384	1.2
261.03491	0.3
263.23669	1.2
280.16495	0.2
282.17957	0.3
298.17816	0.3
299.17151	0.3
308.16086	0.2
314.14783	0.2
317.06418	0.3
325.18634	0.2
332.15958	0.2
335.07138	0.2
337.27316	100.0
338.27625	3.4
353.18008	0.4
354.17975	0.3
358.17471	0.3
359.17355	0.6
368.15546	0.3
370.20758	0.3
371.21683	0.3
376.19565	0.2
385.18011	0.3
408.18979	0.2
410.20001	0.2
487.22873	0.4
561.27728	0.7
600.30438	0.2
855.45074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.5983
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04913	0.5
83.06023	1.4
83.08044	0.3
83.08533	6.2
84.04426	7.5
85.02821	1.1
85.06455	0.4
85.10114	0.3
86.09623	6.9
87.05518	0.4
89.24066	0.2
91.05405	7.7
91.11331	0.2
93.06973	11.9
95.04904	2.0
95.08533	26.8
97.06456	1.7
97.10112	3.5
98.05978	0.5
98.98398	44.3
99.04380	0.5
99.08033	0.6
101.07090	2.3
103.05430	0.5
105.06965	5.4
107.08533	6.5
109.02823	4.6
109.10106	10.4
109.91216	0.3
110.07118	2.6
110.67341	0.2
111.08041	1.0
111.11678	0.6
113.09555	0.3
115.08623	1.1
116.99471	2.2
119.04856	0.3
119.08554	4.7
120.08054	4.0
121.10106	5.9
123.11658	4.8
125.19077	0.3
127.03902	0.3
127.07520	0.3
128.08147	0.6
129.06540	2.3
131.08525	0.3
133.10103	3.8
135.11653	3.7
136.07550	3.0
137.09569	0.6
137.13252	2.1
138.12810	0.3
139.11171	0.4
141.10188	0.6
145.05017	0.3
146.09283	0.3
147.11676	2.8
149.13219	2.7
151.11281	0.4
151.14787	0.5
153.12750	0.3
155.01021	20.6
155.08167	0.3
157.09787	0.3
161.13223	2.2
163.14818	1.4
165.16377	0.4
167.08165	0.5
169.09700	1.3
169.13350	0.4
173.02051	2.2
175.14781	1.4
181.60460	0.3
183.14951	1.9
189.16403	0.3
193.15749	0.3
197.12767	1.0
207.11258	0.3
211.14308	0.4
212.10234	0.6
217.13344	1.5
226.11964	0.4
239.11340	1.3
240.09761	1.3
242.14967	0.5
243.02716	0.4
245.12834	0.5
245.22609	2.6
257.12372	0.4
261.03564	2.7
261.22327	0.4
263.23651	7.9
299.05313	0.6
317.06287	6.7
319.26465	1.8
335.07260	3.1
337.27310	100.0
338.27637	4.0
357.03561	0.3
407.27930	0.5
417.24536	0.7
425.29010	2.5
561.28156	9.6
562.28644	0.4
579.29340	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	1194.7906
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04924	0.9
83.06015	0.8
83.08548	3.4
84.04430	3.4
84.08054	0.5
86.05982	1.6
86.09632	5.1
87.05518	0.3
87.33186	0.2
91.05408	6.2
93.06974	6.5
94.06507	3.0
95.04900	1.8
95.07255	0.4
95.08528	9.3
96.08052	1.3
97.06443	0.4
97.10081	2.3
98.05974	1.9
98.51479	0.3
100.07525	1.6
101.07059	1.4
105.06993	2.9
107.07311	0.2
107.08536	2.7
108.08050	1.0
109.10114	3.2
110.07117	1.2
112.07539	1.2
113.32772	0.2
114.09112	0.3
115.08617	0.5
119.08559	2.3
120.08050	3.0
121.10101	2.9
122.09618	1.1
123.11636	1.2
128.08160	1.0
128.09090	0.2
129.06540	0.6
133.10106	2.6
135.10684	0.3
135.11597	1.8
136.07547	2.4
137.09601	0.3
138.12701	0.3
140.10683	0.5
147.11667	0.4
154.12239	0.4
169.09679	1.0
183.14919	1.2
184.07277	0.9
195.07536	0.3
197.12926	0.3
207.11324	0.3
211.14369	0.5
212.10359	0.4
217.06363	0.3
217.13332	0.6
226.11826	0.4
234.22101	0.4
240.09669	0.5
240.13588	0.3
242.14799	0.4
245.12831	0.4
245.22551	0.5
250.25204	8.5
260.23825	0.4
262.25269	4.9
263.23712	0.5
280.26291	100.0
281.26639	4.1
284.98508	0.2
298.27356	32.0
299.27774	1.3
494.45554	0.2
539.30713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0655
Annotation	Allothreonine
Peak:m/z	Relative Intensity
55.05455	2.5
56.04976	66.0
56.96497	0.4
57.03379	4.9
57.05317	0.3
58.06535	0.4
59.14194	0.3
60.04469	1.1
72.08070	17.7
73.08409	3.0
74.03147	0.3
74.05992	100.0
74.08722	2.7
75.04410	1.3
75.06332	0.6
76.56985	0.3
77.10822	0.2
84.04432	4.0
85.02806	0.4
87.53394	1.3
89.47584	0.3
91.05427	0.4
93.07001	0.4
99.49477	0.2
100.02401	0.3
102.05482	21.1
102.09205	0.3
103.05351	0.4
115.01530	0.3
118.03477	0.6
120.05605	0.4
120.06515	5.3
120.09054	2.1
121.06439	1.4
133.64653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22190	0.6
56.04950	0.6
56.86948	0.5
56.96492	0.9
63.84887	0.5
71.09101	0.6
91.05415	5.1
91.05898	0.7
92.64426	0.8
93.06971	8.5
95.04892	1.3
103.05405	45.7
120.08054	100.0
121.08376	2.7
123.77565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0647
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
53.03896	7.1
53.63961	0.5
54.28637	0.5
55.01806	0.9
56.96504	6.4
57.03375	3.1
61.02857	0.7
65.03851	0.7
70.06504	1.5
72.47049	0.6
73.06452	0.8
75.63165	0.5
77.03824	0.6
81.03333	0.7
86.01157	0.8
91.05409	39.3
92.03059	1.1
93.06376	1.0
93.06976	41.9
95.04897	29.1
103.05405	52.1
104.05779	1.1
105.03802	0.8
105.04446	5.3
107.01831	0.7
121.06464	100.0
122.06836	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	123.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26244	1.6
58.99783	2.9
65.79554	1.7
79.44627	1.4
82.01382	12.3
88.02288	2.1
100.02412	89.1
101.02488	3.0
105.32879	2.1
118.03468	100.0
119.01881	17.0
123.79018	1.6
137.02982	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	123.0439
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.79451	0.8
53.03881	7.0
56.96487	5.1
59.04936	0.8
62.21876	0.7
67.05420	1.5
69.03327	1.1
72.19054	0.9
80.04928	15.7
83.94286	0.9
88.02274	4.2
89.77520	1.0
95.04897	94.7
96.04409	10.2
100.02412	1.1
100.44665	0.9
102.95931	1.0
105.03675	2.1
105.04427	2.2
106.64401	0.9
118.03452	2.0
123.04366	26.9
123.05474	10.0
123.09116	1.2
124.03909	100.0
127.41991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.3
54.81703	0.2
56.96486	0.3
60.95765	0.2
68.04936	0.4
69.03313	0.2
71.02876	0.2
76.02575	0.2
78.03381	0.4
80.04927	13.0
81.05257	0.2
81.05724	0.2
82.06494	6.5
83.06010	0.2
84.04454	0.2
85.03125	0.2
89.69224	0.2
90.01921	0.2
91.03099	0.2
95.06007	0.8
96.04414	9.3
96.05195	1.0
97.04733	0.2
101.02549	0.2
108.04417	0.3
118.03468	0.2
119.01866	0.4
119.03602	0.3
120.03239	0.2
124.03905	100.0
124.07567	0.9
124.08559	1.3
125.04254	2.3
125.07065	1.0
133.03514	0.3
140.03409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0392
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03880	0.5
56.96486	0.3
68.04939	0.3
78.03348	0.8
80.04927	14.4
81.05251	0.2
82.06487	0.9
83.06051	0.2
95.04881	0.3
96.04410	10.9
96.05188	0.8
107.56414	0.2
107.98036	0.2
124.03906	100.0
124.08660	0.9
125.04239	1.9
140.03397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27160	2.2
53.03905	2.8
57.71046	2.6
58.45264	2.4
66.06082	3.0
77.25543	2.7
87.85439	2.8
100.02381	5.9
101.03944	4.9
102.02165	4.5
103.00571	4.9
109.02839	3.4
120.03241	6.7
121.01624	100.0
121.02454	4.9
126.05576	2.9
139.02676	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0502
Annotation	6-METHYLURACIL
Peak:m/z	Relative Intensity
53.03681	0.4
53.03896	5.4
54.03408	3.2
55.01817	6.5
55.05458	1.0
56.04982	4.2
56.96278	0.6
56.96505	9.7
57.03374	1.3
67.93488	0.9
68.95216	0.8
69.03350	25.2
70.06519	0.8
71.00714	0.7
71.04916	4.0
73.09999	0.5
75.00962	1.0
81.03338	17.3
81.04469	1.1
81.06975	0.9
82.02883	4.7
82.06475	1.9
83.01243	0.6
83.04918	0.5
83.50451	1.0
84.01496	7.1
84.04430	13.7
84.08067	1.1
85.12222	0.6
87.67553	0.6
91.36438	0.5
92.19434	0.5
92.75922	0.5
93.02013	14.3
97.02834	3.8
99.04385	5.2
100.07555	1.0
104.52811	3.6
109.02834	22.6
109.03943	12.5
110.02359	46.1
110.05998	0.8
113.53358	0.7
127.03891	33.9
127.04993	100.0
128.04524	11.7
128.05370	1.0
128.07022	3.3
129.15862	0.6
149.01180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.1069
Annotation	2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
50.27090	0.5
52.82736	0.4
55.05437	1.0
56.04951	0.4
56.96497	5.8
57.03350	0.6
57.07005	0.8
58.06519	4.3
69.03336	0.6
70.06480	0.7
71.04892	2.8
72.04429	100.0
82.06490	7.7
83.04909	1.1
83.50487	1.0
84.01484	6.3
84.04419	1.3
86.05979	2.4
92.10308	0.7
93.02006	9.1
100.07549	5.8
102.02508	0.5
104.52813	1.3
110.05959	3.5
121.32716	0.6
128.04282	0.7
128.07039	10.2
128.08006	1.0
128.10670	44.6
129.05397	0.6
143.21312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.1069
Annotation	2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
53.00238	2.0
55.01786	0.9
55.05440	3.7
56.04946	0.7
56.96503	10.8
60.04169	1.4
60.04457	31.1
67.05439	0.9
69.03332	1.2
69.06987	100.0
70.06474	3.0
71.00703	1.4
72.04428	38.3
74.97475	1.0
78.25545	1.0
81.03400	1.0
82.06487	14.1
83.04886	3.6
83.06017	0.8
84.01486	13.6
84.04424	1.6
86.05978	2.0
86.09626	94.5
87.09928	0.9
92.43196	1.0
93.02013	17.3
93.52179	1.1
95.52250	1.6
100.07554	9.1
104.52769	1.7
110.03149	1.0
110.05975	1.8
111.05504	1.1
119.36955	1.0
128.04219	1.7
128.07033	16.5
128.08040	2.1
128.10667	42.2
129.05437	0.9
145.64784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.107
Annotation	2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
53.00265	0.9
54.03407	1.3
55.01815	57.4
55.05442	2.7
56.02149	0.6
56.96509	7.0
57.03355	1.0
57.06737	1.1
57.07014	32.8
58.06540	0.6
63.42010	0.5
64.35473	0.5
66.13945	0.5
68.04967	0.6
69.06985	0.7
70.06506	2.6
72.04434	100.0
72.08071	2.8
74.09626	7.5
79.50956	0.5
82.06503	9.7
83.08539	1.3
84.01483	7.5
84.04433	1.1
86.06002	2.4
93.02010	11.0
100.07558	6.4
104.52819	2.2
110.06000	3.8
111.04386	0.7
128.04272	0.9
128.07047	13.2
128.10680	78.1
129.11064	0.8
139.25966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.065
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03877	0.4
54.82043	0.3
56.04961	0.8
56.96486	1.6
57.03362	0.4
57.06995	0.4
66.78894	0.4
68.95203	0.4
69.03334	2.2
70.06487	0.5
71.51122	0.3
74.09589	0.3
84.04422	29.1
84.08064	6.5
85.04737	0.4
95.04865	0.7
103.05396	5.3
112.07543	8.3
116.98541	0.5
128.04968	0.5
130.04936	4.0
130.06485	100.0
130.15855	2.2
131.06818	2.1
146.06004	0.5
147.36841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.16338	0.1
54.35790	0.1
68.44552	0.1
77.03806	0.3
84.04410	1.8
84.08067	0.3
90.54807	0.2
93.91768	0.2
95.04909	1.2
103.05399	5.7
115.35866	0.2
117.73558	0.2
125.14977	0.2
128.04939	0.6
130.06499	100.0
131.06836	1.7
145.92882	0.2
146.05986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.065
Annotation	Quinoline
Peak:m/z	Relative Intensity
56.04972	5.1
56.96513	3.1
57.07011	4.8
64.33128	0.5
67.05428	1.0
68.95198	0.9
69.02967	0.5
69.03349	13.9
69.06989	2.2
70.06501	1.0
71.04901	0.7
74.09615	3.8
82.06458	0.5
82.52898	0.4
84.04425	100.0
84.08064	22.7
85.04756	0.8
86.05935	0.5
87.00379	0.5
92.01208	0.7
94.06510	0.4
95.04890	0.9
103.05402	4.3
106.14407	0.4
112.07548	47.2
113.05974	0.6
130.05043	11.6
130.06488	81.2
130.08586	24.4
130.15866	14.7
131.06831	1.0
134.99556	0.5
146.99603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
56.04976	5.5
56.40395	0.3
56.96500	2.7
57.03393	0.3
57.07013	12.9
67.05429	1.3
68.95190	0.9
69.03350	5.9
69.06993	0.9
70.06516	2.0
72.08074	0.4
74.09633	10.1
74.88103	0.3
84.04430	100.0
84.08069	22.4
85.04750	0.6
86.06010	0.4
86.50550	0.5
87.00405	2.4
92.01292	0.4
95.03078	0.5
95.04895	0.8
96.00890	1.9
102.05513	0.6
103.05421	3.4
112.07557	22.7
113.05927	0.6
113.96353	0.7
122.74030	0.5
130.05040	13.6
130.06497	73.4
130.08589	14.7
130.15887	35.1
131.06827	0.5
131.08554	1.5
131.97403	1.9
134.99617	0.4
137.01022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.5
56.04764	0.3
56.04984	4.7
56.96510	3.0
57.03372	0.6
57.07017	3.8
67.05424	1.2
68.45236	0.3
68.95227	2.5
68.95535	0.2
69.03352	5.4
69.07003	0.5
70.06513	1.3
71.04903	0.6
74.09632	3.1
83.00692	0.3
83.04917	0.6
84.04433	100.0
84.08072	18.5
84.08594	0.4
85.04761	1.3
87.00393	1.5
92.01225	1.2
95.04893	1.6
96.00951	0.3
98.97510	0.6
102.05499	0.3
102.09137	0.4
103.05404	2.5
107.01789	0.3
112.07560	18.0
113.05974	0.5
116.48126	0.5
116.98571	0.4
119.01695	0.3
125.48734	0.5
128.98570	0.4
130.05029	12.3
130.06500	49.5
130.08595	13.2
130.15887	9.6
131.06844	1.1
131.97397	0.3
134.99707	0.6
146.99681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29087	0.2
56.00274	0.2
56.04970	2.2
65.31158	0.2
67.05421	0.5
68.95207	0.3
72.29883	0.2
79.73843	0.2
84.04430	1.1
84.08064	100.0
85.07721	0.2
85.07945	0.2
85.08389	2.5
100.02372	0.4
105.15665	0.3
111.97779	0.2
112.07561	0.6
130.08603	21.8
132.36478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0862
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
56.04975	2.4
56.96490	0.4
59.57272	0.2
69.03349	3.4
69.06989	0.3
69.74616	0.2
70.06505	1.3
84.03943	0.5
84.04433	9.3
84.08069	100.0
85.08414	1.4
92.10281	0.2
112.07558	13.4
130.04980	1.6
130.08612	31.0
131.08946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0862
Annotation	L-Pipecolate
Peak:m/z	Relative Intensity
50.98742	0.3
57.69090	0.3
63.95035	0.3
64.33226	0.4
68.02869	0.3
69.03349	29.6
69.06990	2.9
71.04903	0.5
72.66685	0.3
78.45152	0.3
82.06500	1.6
84.04430	1.6
84.08064	13.6
95.50883	0.3
104.40082	0.3
112.07548	100.0
113.07909	0.7
130.08601	38.1
137.50026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80288	0.2
56.04972	3.7
65.12072	0.3
69.03339	4.1
69.06996	0.5
70.06506	1.9
81.48628	0.3
84.04427	8.0
84.08062	100.0
85.08389	1.2
94.95827	0.3
112.07551	12.1
130.04897	1.1
130.08600	28.5
146.81302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04979	5.5
56.96485	2.6
57.03379	0.6
57.07011	34.5
67.05421	2.4
68.95193	0.9
69.03349	12.1
69.06969	0.7
70.06499	1.3
71.04904	0.6
72.04433	0.7
74.05975	2.8
74.09615	4.3
82.06495	0.6
83.04910	0.6
83.90961	0.5
84.04426	97.7
84.08064	29.0
85.04743	1.1
85.06458	8.4
86.50547	0.6
87.00370	4.0
92.10959	0.5
95.04880	0.8
96.00907	2.2
98.51170	0.6
102.09112	11.5
112.07553	37.5
112.08329	1.3
113.05914	0.7
113.07909	0.5
113.96358	2.2
130.04984	11.2
130.06505	11.9
130.07529	0.7
130.08600	24.3
130.12244	100.0
130.15877	11.5
131.12628	0.7
131.97408	1.3
136.40985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1589
Annotation	Octylamine
Peak:m/z	Relative Intensity
50.54923	0.5
56.04976	0.7
57.06734	1.4
57.07009	36.4
59.06990	0.6
59.65251	0.6
62.22586	0.6
69.03344	1.2
74.09225	1.5
74.09625	29.9
84.04432	13.0
84.08069	4.0
92.64098	0.9
112.07546	5.4
117.42729	0.6
118.21455	0.6
130.06497	1.6
130.08678	2.8
130.15881	100.0
131.16187	1.5
137.98228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1017
Annotation	Isoleucine
Peak:m/z	Relative Intensity
69.06982	2.2
74.80993	0.4
86.09621	100.0
87.09944	1.4
108.11257	0.4
132.10149	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	132.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03398	0.3
55.04183	0.2
56.04953	0.2
57.05746	0.6
58.06531	0.4
67.05408	0.2
69.06986	18.8
70.07314	0.2
70.43645	0.1
73.06445	0.2
81.04448	0.8
82.05234	0.3
86.09624	100.0
87.02570	0.2
87.09968	1.7
110.19879	0.2
112.02155	2.2
113.02931	1.0
123.07875	2.6
127.95544	0.2
132.10164	1.2
144.04718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25215	0.5
52.50235	0.5
53.03887	0.8
54.03405	6.8
54.06915	0.5
54.81131	0.6
55.04195	12.2
56.70438	0.5
56.96488	2.6
57.03368	2.8
58.99508	3.7
60.04441	0.6
60.66964	0.6
61.01077	19.3
65.03886	0.7
67.41349	0.5
69.03337	1.0
69.06993	1.2
70.02873	4.5
70.03205	0.7
70.06504	4.6
70.07307	4.9
70.99479	1.5
71.01231	0.6
71.04893	0.7
72.00263	3.1
72.08056	1.4
74.02351	93.8
75.02597	1.1
76.45406	0.6
77.00540	1.1
80.04913	0.9
81.04460	28.0
82.04792	2.1
82.05232	17.6
83.00819	0.7
83.05565	0.7
85.01054	7.9
85.02830	3.9
86.09620	9.0
87.02618	27.5
87.04397	0.9
87.05515	27.7
87.09953	22.3
88.02100	0.9
88.03912	14.3
88.07554	1.0
91.02066	1.0
97.02794	0.7
98.01809	0.8
99.01378	0.9
100.02135	0.8
104.99975	0.7
105.03676	1.4
108.05526	1.2
112.02131	73.7
112.97816	0.8
113.02937	36.4
115.03887	0.6
116.03394	7.7
119.01871	1.0
119.29237	0.6
122.07092	3.0
122.29527	0.7
123.07882	100.0
124.05428	1.0
124.08261	6.8
125.02905	4.5
126.03681	7.5
133.03154	10.0
133.05946	13.9
133.55988	1.3
134.08128	0.6
143.03955	5.4
144.04750	22.8
145.05067	1.5
149.08167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03410	5.1
55.04190	6.6
55.05454	0.1
56.04520	0.2
56.04968	0.1
56.96497	0.1
57.03376	0.2
57.05752	0.2
57.98734	0.1
58.06085	0.1
58.06530	0.2
58.99516	0.8
59.06856	0.1
61.01077	2.5
65.03864	0.9
68.04945	0.3
69.03329	0.1
69.06985	5.9
70.02865	0.6
70.07317	7.4
70.99492	1.2
72.00270	2.0
72.08076	0.1
73.01049	0.1
73.06454	0.1
74.02349	1.2
74.98993	0.1
75.02632	0.3
77.00519	0.1
78.03377	0.1
80.04927	0.6
81.04457	28.3
81.92584	0.1
82.04802	1.2
82.05236	15.1
82.36076	0.1
83.04920	0.1
83.05574	0.5
83.06016	0.1
85.01047	4.3
85.02806	0.6
85.08405	0.1
86.01383	0.1
86.01828	1.5
86.09624	32.0
87.02612	3.7
87.05534	0.4
87.09376	3.4
87.09953	45.9
88.03920	0.1
91.02066	0.1
92.04931	0.2
95.06014	0.4
96.06780	0.5
97.01043	0.8
97.07574	0.6
98.00578	1.0
98.01135	0.1
98.01257	0.1
98.01833	1.1
99.01334	1.3
99.02621	0.7
100.02149	1.1
101.06010	0.1
105.00040	0.3
105.03693	0.1
108.05539	1.8
109.05891	0.1
111.01320	0.1
112.02133	68.0
113.02934	36.7
114.01736	0.5
114.03152	1.5
114.03830	0.3
115.02466	0.3
116.03386	0.1
117.55010	0.2
118.05370	0.4
119.01784	0.1
122.07098	3.6
123.07882	100.0
124.02120	1.2
124.05396	4.1
124.08254	5.8
124.54610	0.3
124.55530	0.6
125.02910	4.3
126.03702	6.1
127.04061	0.4
132.10170	0.3
133.03194	1.5
133.05922	21.0
133.10498	1.0
133.56091	3.0
134.05690	0.1
134.07109	0.4
138.03694	0.1
141.47705	0.1
143.03035	0.1
143.03978	4.6
144.04753	25.2
145.05125	1.5
146.04333	0.2
149.08192	1.6
150.08641	0.1
153.57300	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	133.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02359	0.3
50.70476	0.3
58.06522	0.4
58.48551	0.4
60.04457	0.6
61.01073	2.4
69.06982	1.4
70.02869	4.4
70.06505	5.8
70.07307	1.6
71.04901	0.7
73.02802	0.5
74.02348	100.0
79.94888	0.3
81.04459	2.0
82.05226	0.8
84.13382	0.4
85.02831	0.3
86.09621	8.7
87.02596	3.3
87.05509	28.6
87.09412	0.9
87.09955	15.3
88.02139	3.0
88.03908	8.9
88.07544	3.4
93.02007	0.8
98.02306	0.5
99.00735	0.5
99.04382	0.4
104.99993	0.3
110.75577	0.4
111.24602	0.4
112.02141	4.8
113.02934	3.1
116.03385	8.5
116.07070	1.4
123.07877	7.5
125.02852	0.5
133.03194	0.6
133.06018	7.1
134.08044	0.6
144.04755	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0607
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
50.02359	0.3
50.70476	0.3
58.06522	0.4
58.48551	0.4
60.04457	0.6
61.01073	2.4
69.06982	1.4
70.02869	4.4
70.06505	5.8
70.07307	1.6
71.04901	0.7
73.02802	0.5
74.02348	100.0
79.94888	0.3
81.04459	2.0
82.05226	0.8
84.13382	0.4
85.02831	0.3
86.09621	8.7
87.02596	3.3
87.05509	28.6
87.09412	0.9
87.09955	15.3
88.02139	3.0
88.03908	8.9
88.07544	3.4
93.02007	0.8
98.02306	0.5
99.00735	0.5
99.04382	0.4
104.99993	0.3
110.75577	0.4
111.24602	0.4
112.02141	4.8
113.02934	3.1
116.03385	8.5
116.07070	1.4
123.07877	7.5
125.02852	0.5
133.03194	0.6
133.06018	7.1
134.08044	0.6
144.04755	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33350	0.3
54.03396	0.4
54.82278	0.4
55.01797	0.3
55.05443	0.5
56.96498	10.5
57.03366	1.7
57.42684	0.3
58.06512	0.4
60.04457	0.5
60.95781	0.3
61.01093	0.4
69.03349	3.6
69.06995	2.3
70.02872	3.5
70.06511	3.4
70.07333	4.2
71.01270	0.5
71.04910	0.5
72.08072	5.5
73.02843	0.9
73.06454	0.9
73.89973	0.4
74.02352	100.0
81.04483	2.5
82.05238	1.7
84.01485	0.9
85.01073	0.5
85.02779	0.4
86.09626	18.6
87.02606	0.8
87.04402	7.0
87.05516	29.2
87.09370	2.1
87.09956	37.3
88.02153	2.3
88.03915	17.3
88.04330	0.5
88.07568	0.7
92.03030	1.5
93.02024	0.7
97.02841	2.1
98.00700	0.5
98.02348	0.6
98.52807	0.9
99.00746	0.6
107.53271	0.4
110.01794	0.5
112.02150	6.9
113.02961	3.5
114.38322	0.4
115.03893	0.7
116.00165	0.4
116.03407	8.9
116.07060	0.6
119.00178	0.5
123.07894	9.1
124.08214	0.8
126.03668	0.6
133.05055	0.7
133.06032	7.3
133.07661	1.5
133.10547	0.6
134.04482	0.6
134.08134	0.4
144.04774	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.48269	0.6
54.33516	0.6
54.94380	0.6
55.05455	8.0
56.96499	16.1
57.03361	1.3
65.03870	0.7
67.05418	1.8
69.03345	1.5
69.75182	0.7
70.06502	4.1
70.07324	0.9
72.08069	19.3
74.01972	1.2
74.02353	21.4
75.45707	0.7
79.05397	5.0
86.09625	2.0
87.05521	3.6
87.09959	8.4
88.02134	4.5
88.03922	7.5
88.07563	0.9
91.05406	57.8
92.05759	0.8
98.00701	3.7
98.72696	0.9
103.05428	1.5
105.06975	100.0
106.07341	1.8
107.01217	1.6
108.16628	1.0
115.05388	1.2
116.03381	1.4
116.07030	1.1
117.06940	1.2
117.95881	1.0
118.07761	1.0
123.07887	0.9
126.71473	0.9
126.72417	0.8
131.08546	5.2
132.15591	0.8
133.06448	9.0
133.07452	1.6
133.10094	87.4
134.08095	1.1
134.10397	1.7
134.99677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.94110	0.5
53.03874	0.7
55.05234	0.6
55.05458	9.4
56.96504	7.8
57.03381	1.0
61.47714	0.7
67.05418	1.4
69.03349	1.5
69.06975	0.5
70.06501	1.3
72.08070	10.1
73.02827	2.4
74.02356	11.4
79.05403	4.2
84.18236	0.6
86.09649	1.4
87.05499	1.4
87.09960	6.9
88.02135	1.3
88.03908	4.0
89.00166	0.7
91.05407	62.5
92.05755	0.6
93.06973	1.2
97.02814	1.3
97.99069	0.8
98.00690	3.8
103.05417	0.9
105.06979	100.0
106.07307	1.4
107.01250	0.6
116.98540	0.9
117.06939	1.3
117.95928	0.7
126.29645	0.7
131.08522	6.9
133.10097	84.8
134.06032	0.8
134.08073	1.1
134.10417	2.6
135.97145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42855	2.0
65.03850	1.8
71.02903	40.0
71.04899	8.8
71.52944	11.8
72.02751	2.2
79.05389	8.8
80.03421	45.8
80.53465	3.0
82.53686	11.5
89.03925	1.9
91.05414	34.3
91.54209	3.2
100.02348	2.9
105.06972	22.5
107.08537	100.0
108.08898	2.1
109.06491	15.4
119.06048	2.8
132.21675	1.9
135.08049	12.6
136.02090	4.4
136.06161	43.6
136.11208	19.4
137.04543	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.51622	1.8
55.01814	3.9
55.05437	4.2
61.63950	2.0
62.99706	2.1
64.15128	2.1
67.05423	30.5
69.06988	4.0
71.02901	35.3
71.04892	9.3
71.52946	3.1
74.14289	2.0
79.05403	38.0
80.03412	40.3
80.53487	3.6
81.06953	16.4
82.25326	2.0
82.53671	10.4
90.84154	2.3
91.05386	10.5
91.54208	3.9
93.06967	55.7
95.04870	3.8
107.08528	33.0
119.03454	2.3
129.53287	2.2
135.06493	2.5
135.07988	11.6
135.11665	46.5
136.02086	12.0
136.06142	100.0
136.11179	39.6
137.04495	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.83907	1.3
53.03873	3.0
55.05447	11.0
56.96497	1.6
60.01669	1.5
67.05427	24.0
69.06970	8.0
71.02895	9.4
71.04907	3.2
79.05406	65.0
80.03411	9.6
81.06973	21.0
82.53680	2.9
91.05388	15.7
93.06970	80.6
95.04876	10.3
105.06975	3.1
107.08537	53.2
135.11655	100.0
136.02161	10.7
136.03738	1.5
136.06157	46.2
136.11128	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	136.0616
Annotation	Adenine
Peak:m/z	Relative Intensity
53.64706	0.5
55.93717	0.7
56.28745	0.6
56.96502	6.5
59.64864	0.5
70.39574	0.5
76.51482	1.3
91.05352	0.7
94.03977	1.1
97.99165	0.7
108.02510	0.6
112.08663	0.6
119.03510	5.5
136.06157	100.0
137.04614	4.3
139.76720	0.8
153.17628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
74.29459	1.2
94.04109	23.5
109.16166	1.3
121.60069	1.4
121.98246	1.3
122.03603	40.9
130.41548	1.3
137.05952	100.0
138.06227	1.5
154.72209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.88564	0.8
55.93444	4.0
56.96493	10.6
57.03360	1.2
70.06477	3.7
71.04890	0.8
78.69957	0.9
79.05386	4.6
81.06981	10.6
85.49601	0.8
88.39272	0.9
91.05398	11.9
92.01216	1.5
94.04126	6.5
94.06497	0.9
104.52778	1.8
107.04892	7.6
109.06475	8.7
110.05955	1.0
112.07521	1.2
119.01810	3.6
121.02812	20.9
122.03600	10.7
128.95035	1.0
137.02975	1.6
137.05917	100.0
137.10632	1.5
138.05418	8.5
138.06354	1.4
138.09061	1.0
146.96143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
62.28191	0.3
62.69111	0.2
64.16307	0.2
65.03871	0.4
67.05409	0.3
92.04919	1.6
93.05698	0.4
94.06493	11.2
94.41019	0.2
96.04390	1.1
102.35577	0.3
110.05991	9.0
121.06455	0.3
138.05475	100.0
139.05827	2.2
154.04942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.45567	0.1
54.25962	0.2
55.60806	0.1
56.96500	7.4
58.66171	0.2
68.04951	0.3
74.41214	0.2
77.16865	0.1
78.03362	1.0
79.04150	1.1
80.04926	0.3
94.06485	0.4
96.04415	11.4
108.04425	3.3
110.06001	0.8
124.03912	2.9
138.05473	100.0
139.05833	1.6
154.04999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1226
Annotation	Physoperuvine
Peak:m/z	Relative Intensity
54.03427	0.3
55.01816	16.3
55.05455	0.8
56.04596	0.3
56.04963	0.6
56.96505	35.0
57.07018	0.5
58.50466	0.6
60.95784	2.0
67.50982	5.9
69.06976	0.4
70.01237	2.1
70.06522	0.4
71.08549	3.3
72.04433	37.0
74.97498	0.3
76.51507	9.3
77.00697	0.4
79.01773	34.1
82.06518	0.4
85.52026	2.2
85.56655	0.3
86.09606	0.3
88.02301	100.0
88.11186	2.1
89.02498	0.7
90.52564	4.6
92.01232	0.5
95.03094	0.4
97.02827	18.5
97.07586	2.3
98.97465	0.4
99.53094	9.8
108.02567	0.4
108.53635	0.7
111.03934	0.4
114.09112	0.7
119.01876	2.3
120.03346	0.3
125.02326	2.1
125.49642	0.3
137.02931	0.8
142.03464	0.6
142.08614	0.7
142.12251	35.5
143.03386	4.0
143.08136	1.5
143.12624	0.5
144.57884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86485	0.1
55.01830	0.2
55.05453	13.5
56.04966	0.6
56.05777	0.1
56.96503	31.8
57.07005	0.7
58.06553	0.1
58.50472	1.6
59.06042	0.2
59.96109	0.2
60.04460	3.8
60.95779	2.1
61.00732	0.3
67.42078	0.1
67.50986	5.7
68.04952	0.4
69.03353	1.8
70.01232	2.6
70.06512	0.2
72.04433	2.9
74.70983	0.1
74.97526	0.3
76.51499	8.3
79.01771	44.4
81.51995	0.3
82.06482	0.3
83.00679	0.1
83.04913	0.2
83.08542	5.9
85.01779	0.3
85.02908	0.1
85.52032	1.4
86.02557	0.7
86.06004	0.7
87.01551	0.2
87.09158	0.2
88.02299	100.0
89.02502	0.8
90.01494	0.2
90.52570	7.1
91.02762	0.1
91.28499	0.1
92.10393	0.2
94.02295	0.6
95.03077	0.9
96.08071	0.3
97.02825	16.5
97.07578	1.8
98.97559	0.3
99.02006	1.0
99.53091	12.7
100.07561	0.4
100.11189	10.0
101.02430	0.2
101.07089	0.3
102.02190	0.1
102.03365	0.8
102.05468	0.2
108.02541	0.3
108.53616	1.0
110.52807	0.2
111.03898	0.8
114.09055	0.2
116.98560	0.2
118.03496	0.3
119.00121	0.2
119.01880	1.5
119.03598	0.7
119.53223	0.1
120.01955	0.2
120.03218	0.2
124.07563	0.2
125.02311	2.1
134.99638	0.2
136.99084	0.2
137.01221	0.2
137.02931	1.2
137.53334	0.1
142.03539	0.4
142.08598	0.7
142.12251	4.2
143.03386	4.0
143.08124	1.7
146.99712	0.2
160.04530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27756	0.4
53.00248	0.7
53.22431	0.3
55.05454	0.6
56.04968	0.8
56.96502	39.0
57.03097	0.7
57.03371	13.6
58.50470	1.9
59.06042	0.4
60.04433	0.6
60.95774	2.4
64.33125	0.5
67.50977	7.5
69.03350	0.9
69.06989	37.7
70.01237	2.1
70.06505	0.6
70.07359	0.4
74.05592	0.9
74.05988	13.8
74.06416	0.5
76.51492	8.7
79.01769	37.7
81.75575	0.4
84.08037	0.4
85.52017	2.8
86.05991	15.0
86.09627	46.3
87.09974	0.7
88.02296	100.0
90.52568	4.0
91.02254	0.4
94.02272	0.5
97.02824	18.8
97.07587	4.1
98.97536	0.6
99.01993	1.8
99.53094	8.7
108.53607	0.7
119.01849	4.9
120.03229	0.5
125.02316	3.9
137.00082	0.4
137.02960	3.6
142.03464	1.8
142.08617	1.0
142.12248	12.0
143.03380	6.9
143.08093	3.6
160.04558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	0.3
55.05455	0.6
56.04969	1.2
56.96503	42.4
57.03359	0.4
57.07013	54.5
58.02895	0.4
58.07343	0.5
58.50441	2.0
59.06054	0.4
59.96116	0.3
60.04453	0.3
60.95789	2.5
61.00714	0.3
67.50978	6.6
68.04936	0.3
69.03349	1.0
69.06956	0.2
70.01243	2.3
70.06501	0.3
76.51501	8.6
79.01769	41.8
79.05423	0.3
79.39996	0.2
83.04893	0.3
85.52036	1.3
88.02298	100.0
89.02480	0.3
90.01502	0.4
90.52564	5.4
92.01205	0.5
95.03070	0.5
97.02825	19.6
97.07602	2.6
98.97508	0.5
99.02011	1.6
99.53094	9.7
100.07545	3.5
100.99065	0.3
101.02451	0.4
102.02178	0.3
102.03326	0.3
102.05416	0.3
108.02505	0.3
108.53634	0.4
111.03860	0.3
116.98547	0.3
119.00126	1.3
119.01884	2.5
119.03560	0.3
125.02307	3.3
132.42166	0.3
134.99551	0.3
137.01173	1.7
137.02946	1.9
142.01859	0.3
142.03477	0.6
142.08611	1.2
142.12236	2.9
143.03383	4.7
143.08109	2.6
154.65456	0.3
160.04512	0.4
163.02733	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	144.0807
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
52.01855	0.3
52.06770	0.3
53.02811	0.4
58.05964	0.4
58.08161	0.4
70.13074	0.4
70.29433	0.3
71.04884	0.7
81.03368	0.5
85.02840	0.6
91.05382	1.7
95.96032	0.4
98.05968	0.5
99.04366	3.0
103.05403	1.9
115.05359	3.1
117.05700	0.7
117.06960	12.7
127.03867	0.5
128.04929	0.7
141.12633	0.4
143.07271	9.0
144.08051	100.0
145.05135	0.5
145.06462	3.9
145.08327	2.9
155.05972	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	144.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53239	0.4
50.93967	0.4
51.02055	0.4
53.03878	3.4
53.93529	0.5
54.81979	0.5
55.01812	4.4
55.05442	0.8
56.04962	0.5
56.96502	40.0
57.03368	4.0
58.96088	2.6
59.04936	0.6
60.04449	1.0
60.88338	0.4
60.95778	7.4
66.40614	0.5
67.50964	4.6
68.01140	1.2
69.03342	3.2
69.50598	0.6
70.01239	0.9
70.03693	0.5
70.06507	6.1
70.06822	0.7
71.04543	1.0
71.04905	14.4
71.08543	12.6
71.91956	0.5
72.04415	3.1
74.80325	0.5
74.97513	0.5
76.51483	6.9
77.01659	2.6
78.51141	0.9
79.01765	23.1
79.51956	7.9
80.01546	0.9
80.02003	0.5
80.02570	0.4
81.01395	3.4
81.03331	6.9
82.90038	0.6
84.04412	2.2
85.02824	12.0
85.52031	2.7
87.04414	0.6
88.02294	58.4
88.52496	27.2
89.02088	3.9
89.52118	1.2
90.01938	14.7
90.52558	3.6
90.80376	0.5
91.02760	1.1
92.10190	1.1
93.23132	0.5
95.03088	0.7
97.00718	0.8
97.02814	12.9
97.52012	1.1
97.52999	4.4
98.02586	0.5
98.05980	12.4
98.09628	1.1
99.02435	3.0
99.04380	51.2
99.08009	2.9
99.53093	7.9
100.03266	3.1
100.53523	0.5
101.02316	0.8
101.52737	1.0
102.09134	3.9
102.96831	1.1
106.26485	0.5
109.02837	0.9
111.05888	0.5
111.54074	0.6
113.02896	1.1
115.91560	0.5
116.10619	0.7
119.16434	0.5
120.19786	0.5
120.97834	0.9
121.01596	0.5
121.96553	4.1
126.02657	0.6
126.03678	0.7
126.05462	0.6
126.09097	0.9
127.03860	11.5
128.57777	0.5
138.98930	4.4
139.01750	4.2
139.02739	0.6
144.03731	1.5
144.04655	4.5
144.06543	5.6
144.08141	1.3
144.10178	2.1
144.13808	100.0
145.04921	8.9
145.14191	2.0
156.99950	0.9
160.04474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1384
Annotation	Valpromide
Peak:m/z	Relative Intensity
52.55362	0.7
53.03881	1.3
54.29798	0.6
55.01793	1.2
55.05441	1.6
56.96248	1.0
56.96506	19.9
57.03365	3.3
57.07016	25.1
58.96088	0.8
60.95775	3.1
62.92935	0.8
67.05445	0.8
67.50982	1.1
70.06510	3.0
71.04911	10.3
71.08569	0.7
74.05994	15.1
75.90050	0.7
76.51502	4.6
78.28880	0.9
79.01772	6.3
79.38708	0.6
79.51934	3.5
80.73251	0.6
81.01406	0.9
81.03339	1.7
83.08538	0.9
84.04422	0.8
85.02829	3.7
86.05985	1.2
88.02303	22.2
88.07558	43.5
88.52486	12.5
89.02065	1.2
90.01945	4.5
97.02843	6.1
97.52962	1.5
98.05980	7.0
99.04395	20.4
99.53078	0.8
100.07537	3.2
102.09113	14.3
102.96836	1.1
127.03860	4.7
127.11145	0.8
138.98936	1.3
139.01793	1.3
144.04729	1.5
144.06573	2.8
144.13821	100.0
145.04955	3.2
145.14201	1.6
157.00032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0495
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03889	9.6
55.01808	16.9
55.05448	2.7
56.96495	1.6
57.03373	15.7
59.27192	1.1
61.02836	1.7
62.86073	1.1
69.03355	26.4
71.01254	1.4
71.04906	32.5
81.03339	17.2
81.20412	1.3
82.06499	5.2
83.04887	5.6
85.02339	2.5
85.02824	45.3
86.05979	3.0
87.04384	7.4
97.02819	10.0
99.04381	100.0
100.07572	2.6
101.02296	2.1
109.02782	1.8
123.76978	1.3
127.03857	28.2
128.07014	7.6
145.04918	13.4
145.10526	20.3
146.08130	3.0
164.20218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
51.14690	0.5
52.67748	0.6
54.81715	0.6
56.96508	0.5
63.04748	0.5
72.76511	0.5
80.04924	0.7
81.03337	2.4
82.06521	1.0
83.04900	2.8
84.04425	2.4
86.05987	0.8
91.04903	1.0
91.05418	17.2
92.64211	0.6
100.04757	0.7
100.07558	1.3
106.46464	0.7
110.06051	0.7
111.04317	0.6
117.05700	3.8
118.06504	100.0
119.06872	1.5
128.04958	6.5
128.07059	0.6
146.06009	44.4
146.08047	3.7
147.06340	0.7
154.68353	0.5
164.84853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
52.50038	0.2
53.86356	0.1
55.05440	0.2
61.95307	0.2
64.30301	0.2
65.03860	0.2
81.03349	0.4
82.06512	0.3
82.47603	0.2
83.04871	0.2
83.22671	0.2
84.04449	0.7
86.05984	0.3
91.05408	19.2
98.48581	0.2
100.04732	0.2
100.07559	0.4
110.06022	0.3
111.04449	0.3
117.05721	4.9
118.06493	100.0
119.04900	0.4
119.06860	1.6
120.85241	0.2
128.07047	0.7
136.44469	0.2
146.05991	24.0
146.08073	0.9
147.06300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.3
54.04223	0.3
55.01818	0.6
55.05187	0.4
55.05451	8.0
56.04967	0.5
56.96500	3.3
57.03367	0.8
57.07007	0.7
61.98048	0.3
69.03342	2.0
71.04900	0.4
72.08083	2.4
80.04929	0.4
81.03337	2.1
81.32601	0.3
82.03664	0.3
82.06496	2.2
83.04901	2.6
83.08531	5.9
84.04426	6.6
84.08054	2.3
85.02830	0.8
86.05976	1.3
87.04399	0.6
88.03914	0.4
90.89809	0.3
91.05398	6.4
97.13115	0.3
97.52059	0.4
98.97514	0.3
100.04728	1.6
100.07529	2.3
100.11184	100.0
101.05981	0.5
101.11523	1.5
104.90732	0.5
110.05995	0.7
111.04401	1.4
111.53610	0.4
118.06483	5.2
119.04900	5.6
128.04947	4.0
128.06989	2.3
129.01791	0.4
129.05409	1.4
130.04958	3.3
130.08635	0.4
133.09761	0.3
137.02545	0.3
146.06000	15.2
146.08034	3.9
146.11761	1.5
147.04427	4.2
148.26642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1175
Annotation	(R)-2-Aminoheptanoic acid
Peak:m/z	Relative Intensity
53.03880	0.6
55.01800	0.4
55.05450	34.5
56.04964	1.4
56.96497	4.3
57.03366	1.7
57.07011	4.3
60.04427	0.5
61.02838	0.4
65.03840	0.7
67.05450	0.6
69.03360	3.6
69.06987	0.6
71.04882	0.7
72.04431	2.4
72.05223	0.5
72.08067	3.5
74.05997	0.5
81.03316	4.2
82.06506	2.9
83.04893	3.1
83.08535	64.3
84.04430	8.4
84.08047	2.6
84.08858	0.5
85.02826	0.9
86.03155	0.5
86.05971	1.5
86.09612	0.6
87.02602	0.8
87.04389	1.5
91.05400	9.4
97.52002	0.5
98.05988	0.5
99.04393	0.8
100.04739	0.8
100.07542	4.1
100.11181	100.0
100.48629	0.7
101.11537	0.8
102.05459	0.5
104.10574	0.4
104.90849	0.5
105.07053	0.5
110.05984	1.5
111.04384	2.5
111.53591	1.5
112.11146	0.5
114.58092	0.4
116.98590	0.4
118.03417	0.5
118.06461	4.5
119.04897	11.9
123.96365	0.4
128.04112	0.4
128.04990	0.5
128.07016	2.9
128.95044	0.4
129.05423	0.9
130.04979	3.6
141.82744	0.4
146.06059	5.5
146.08090	5.2
146.11722	3.4
147.04379	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	147.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96494	41.1
61.84438	6.8
66.89793	7.3
76.55915	8.9
83.04906	10.2
84.04424	81.2
84.08069	16.8
91.05399	86.3
91.48084	8.8
100.48639	11.0
118.70004	8.9
119.04875	100.0
119.06799	12.6
126.24871	9.2
130.04893	10.7
147.04395	51.6
147.06424	15.8
147.09163	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0432
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.03261	3.9
55.05416	4.3
56.96489	7.0
59.90682	3.8
64.89413	4.2
64.92729	4.5
65.03836	8.1
65.48895	4.9
69.03326	4.5
84.04417	70.1
84.08046	9.7
91.05396	92.0
91.48139	5.4
92.10929	10.4
93.41770	4.7
100.48634	8.2
103.63787	4.9
119.04877	100.0
127.62685	6.5
130.04944	8.0
141.37775	5.6
147.04393	88.3
147.08047	15.3
147.09099	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
63.23639	1.3
64.95461	1.2
65.03845	6.9
66.67126	1.3
71.98533	1.2
73.37974	1.4
78.62183	1.5
84.04430	26.1
84.08054	5.4
91.05401	95.4
97.06566	1.3
100.48636	1.7
102.05441	1.3
104.90750	2.6
109.88144	1.3
119.04893	100.0
130.04948	8.6
147.04388	63.8
147.05440	2.4
147.09161	26.6
157.39540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
59.77378	0.4
64.25195	0.4
65.03868	6.4
68.68804	0.4
84.04412	0.6
91.05404	81.5
92.05741	1.0
92.11015	0.8
115.36602	0.4
119.04892	100.0
120.05221	2.3
120.73133	0.4
125.35139	0.4
130.52896	0.5
130.68701	0.5
147.04384	64.3
148.04709	1.1
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
50.54982	0.5
52.29033	0.5
53.34750	0.5
55.05437	4.2
56.04966	2.8
56.96485	3.6
57.03348	0.5
58.06541	5.1
58.06758	0.5
61.01381	0.5
61.81009	0.6
63.04991	0.6
65.03859	9.2
67.05433	0.8
69.03326	2.5
72.08070	58.8
73.06462	1.1
73.08414	5.4
75.09158	1.2
78.94086	0.5
83.04887	4.2
83.11610	0.7
84.04427	44.5
84.04935	1.5
84.08067	23.3
85.02823	1.4
85.89104	0.6
91.05404	81.6
92.03032	2.7
92.05737	1.6
95.04922	1.0
102.05473	4.0
103.53833	1.2
107.04877	0.8
112.11189	13.8
113.11523	1.4
119.04894	100.0
120.05235	3.0
120.08051	0.9
129.13821	3.2
130.04965	14.5
130.08580	1.2
133.50740	0.6
146.16522	3.3
147.04385	90.0
147.16850	0.6
148.04727	6.8
148.05890	1.0
149.06584	1.0
157.93062	0.9
161.03014	2.4
161.04382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.96492	0.5
61.31236	0.3
65.03867	7.1
76.56199	0.4
84.04430	4.3
84.08093	0.5
90.92710	0.5
91.05405	81.5
92.05726	0.9
92.10964	0.4
119.04897	100.0
120.05214	1.8
130.04933	0.7
139.23657	0.3
147.04385	67.3
148.04692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42775	0.4
54.97242	0.3
56.48661	0.3
65.03861	7.6
69.22635	0.3
75.29021	0.3
75.61522	0.4
83.18228	0.4
84.04402	0.5
84.05079	0.4
86.52791	0.3
91.05404	82.9
92.05756	1.5
119.04892	100.0
120.05213	1.9
147.04385	60.2
148.04712	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	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18162	0.4
52.81176	0.4
55.05454	0.5
56.04983	0.6
56.96485	0.7
64.92729	0.4
65.03864	7.6
68.77512	0.5
84.04426	11.4
84.08067	2.1
85.02828	0.5
91.05404	86.8
92.05760	0.8
100.48651	0.5
105.07011	0.7
119.04893	100.0
119.08568	1.0
120.05215	2.0
122.76049	0.5
130.04974	4.3
144.91757	0.4
147.04385	62.3
147.11647	2.5
148.04749	0.7
164.38660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.04967	2.3
56.96492	5.3
64.92750	1.1
64.95461	2.4
65.03854	5.7
66.71870	1.1
69.03355	1.3
79.05396	1.1
79.16164	1.1
81.26414	0.8
81.87513	1.0
83.04857	1.1
84.04427	48.2
84.08078	9.4
85.02837	1.2
86.06007	2.1
91.05403	83.2
91.48131	3.9
91.52053	1.2
92.01789	1.8
92.05771	1.2
95.47169	1.2
100.48639	12.9
102.05479	6.2
102.98919	1.3
104.90754	8.1
105.06985	2.0
109.49140	2.0
111.99450	4.7
119.04890	100.0
119.08540	1.8
123.43073	1.0
123.96429	1.6
130.04973	17.8
130.08578	1.3
130.41676	0.9
147.04398	63.5
147.05487	4.3
147.08026	8.2
147.09131	37.4
147.10049	0.9
165.49792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1127
Annotation	L-Lysine
Peak:m/z	Relative Intensity
56.04967	1.7
64.46779	0.1
67.05417	1.2
74.02364	0.2
84.08063	100.0
85.06455	0.6
85.08403	0.7
101.10689	0.2
102.09112	0.2
112.07505	0.2
128.46568	0.1
129.10225	0.7
130.08603	20.2
147.11250	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	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03535	1.3
65.03864	25.1
73.50346	0.8
93.03345	7.5
111.04378	8.7
121.01997	1.9
121.02820	37.0
121.03902	6.7
149.02321	100.0
150.02664	1.6
167.03464	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
53.03895	2.4
53.04097	0.2
55.01810	0.4
56.04977	1.9
56.96505	6.4
57.03362	0.4
60.95772	0.5
61.01082	0.6
64.33459	0.3
65.03865	1.3
66.97524	0.3
67.05441	0.3
69.03356	0.6
70.06518	1.4
71.04906	0.4
71.07281	0.4
73.02830	0.4
79.05408	75.9
80.73006	0.3
81.03380	0.3
84.04424	2.2
85.04758	6.3
88.07555	0.5
91.05410	4.0
93.06974	11.1
93.95886	0.3
94.06488	0.4
95.04888	8.4
98.97513	0.4
103.05402	100.0
104.05753	1.2
104.52799	0.6
105.04457	1.4
105.06936	2.5
107.04899	48.6
108.05232	0.7
112.07572	0.6
121.02817	1.6
121.06451	5.6
122.06021	0.5
128.02316	0.5
131.04883	19.0
149.02309	5.6
149.05951	3.4
149.08173	0.5
150.05487	1.9
161.11751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0632
Annotation	Ethyl 3-(methylthio)propionate
Peak:m/z	Relative Intensity
54.46182	1.5
55.01796	10.0
55.05453	18.8
55.87156	1.4
56.04956	8.6
56.96250	2.3
56.96506	56.8
57.03354	10.7
57.05282	1.6
59.04911	1.7
61.01079	89.0
61.02839	2.2
65.03853	12.5
67.05415	7.7
67.78287	1.6
68.17651	1.5
69.03319	3.1
70.06509	11.9
71.04885	10.1
71.07270	2.8
72.93681	2.0
73.02804	2.3
73.06463	3.3
75.02593	9.5
78.71083	1.7
78.72780	1.5
79.05383	1.8
79.36163	1.4
81.03325	1.9
81.04425	1.5
81.37676	1.5
83.04449	1.9
83.04900	46.3
83.50453	2.0
84.01448	2.0
84.04398	9.5
85.04749	26.0
85.06441	1.8
87.02605	15.9
87.71855	1.6
88.02203	1.9
88.07529	7.2
89.04147	1.6
91.05386	2.6
92.50958	1.8
93.03304	2.9
95.04858	4.0
95.52256	2.0
98.79848	1.7
98.97484	2.2
99.04389	2.9
101.02368	1.7
101.05945	26.6
103.05750	8.1
104.52794	10.4
106.02799	2.8
107.04888	1.6
111.04359	2.6
112.07524	13.0
115.03367	2.3
116.00182	1.9
121.02813	18.1
121.03913	2.5
125.53297	2.9
128.02159	1.9
131.05212	6.5
134.99539	2.2
138.54129	1.8
140.06941	2.4
149.01192	6.8
149.02321	45.2
149.06259	100.0
149.08209	4.4
149.10739	2.8
149.18808	1.9
150.05426	3.2
150.07629	1.6
158.01224	2.1
164.02191	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03869	1.6
54.27020	1.0
55.05460	7.3
57.07006	1.1
62.21857	0.9
64.38261	0.8
65.03869	1.8
67.05083	1.5
67.05429	43.3
69.06705	1.0
69.06990	14.9
70.18679	1.1
79.05411	45.8
80.03786	0.9
81.06976	93.0
82.07314	0.9
83.08526	5.6
91.05408	11.2
92.10841	1.5
93.06976	69.1
95.04885	2.4
95.08541	16.1
98.99493	1.0
105.04450	1.3
105.06991	4.4
107.08540	67.8
108.08062	1.9
109.06416	1.6
111.08183	1.0
121.10107	24.5
149.02362	5.6
149.09644	1.9
149.13235	100.0
150.12708	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03881	1.9
54.01233	1.1
55.05451	9.9
65.03858	2.1
67.05074	2.7
67.05424	53.0
69.06988	17.4
79.05407	43.5
80.03165	1.2
81.06975	97.9
83.08526	5.8
91.05394	11.5
93.06971	70.1
95.04891	2.9
95.08538	17.4
105.06953	5.9
107.08539	65.6
108.08057	2.2
121.10091	18.9
149.02295	6.1
149.13234	100.0
150.12723	15.3
150.70741	1.3
167.27402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
55.05442	4.1
63.08121	1.5
65.03864	6.6
67.05428	44.9
69.06994	15.9
79.05406	43.4
81.06976	100.0
81.97618	1.7
83.08549	6.7
88.07511	1.6
91.05415	11.7
93.03316	1.9
93.06976	66.0
95.04884	3.1
95.08508	13.6
105.06963	2.7
107.08538	47.0
108.08067	7.0
113.71513	1.5
121.02798	2.4
121.10093	17.2
126.48644	1.6
128.77780	1.7
135.10384	2.9
149.02339	12.3
149.03387	1.6
149.13234	96.9
150.12727	28.0
150.13658	1.7
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
55.05441	5.8
56.04954	5.2
56.96487	5.8
61.01077	3.1
65.03843	17.1
67.05423	39.3
67.95154	2.8
69.06972	12.0
71.07271	5.9
73.06435	2.9
79.05406	35.6
81.06510	3.4
81.06969	72.9
83.08512	3.4
84.02951	2.8
85.04741	6.0
88.07536	13.0
90.59827	2.7
91.05376	15.2
93.03313	3.8
93.06431	4.6
93.06965	70.6
95.04909	4.0
95.08511	12.8
107.08522	53.9
108.08050	33.4
121.02791	20.2
121.03938	4.4
121.08933	2.7
121.10081	11.9
123.98547	2.8
128.69220	2.6
132.06564	3.3
135.10378	10.8
149.02306	44.4
149.07063	6.3
149.13232	78.1
150.05446	4.5
150.12732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.14016	2.9
55.05448	12.4
56.04964	8.1
56.96484	5.8
65.03852	20.4
67.05196	2.5
67.05431	41.4
69.06966	14.8
77.46641	3.2
79.05419	44.9
81.06974	80.8
81.36615	3.3
84.04378	3.5
85.04757	14.1
88.07546	6.9
91.05405	28.6
92.10201	7.5
93.06974	77.8
95.04884	6.7
95.08537	7.5
103.05344	4.7
104.05237	4.3
105.06930	7.4
105.58544	3.4
107.04892	15.7
107.08520	52.2
108.08069	48.1
121.02812	19.0
121.10093	23.2
122.08080	3.3
124.65952	3.7
132.06512	5.8
135.10347	5.8
149.02307	62.1
149.05995	4.1
149.09552	15.0
149.13232	81.6
149.88988	3.8
150.05441	5.9
150.12752	100.0
150.13884	6.4
163.03905	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
54.30001	2.4
54.41500	2.4
54.81466	2.3
55.05456	3.5
64.82719	2.7
65.03873	10.2
67.05428	48.8
69.06989	14.9
71.07306	4.2
74.18099	3.1
79.05402	43.1
79.76208	2.8
81.06973	100.0
88.07560	4.3
91.05407	15.3
93.06973	67.8
94.09364	2.9
95.04890	3.6
95.08533	12.0
105.06995	4.1
107.08536	61.5
108.08060	18.3
109.85516	2.6
121.02837	4.9
121.10107	21.9
134.01935	2.9
135.10431	6.8
149.02296	21.9
149.09537	2.9
149.13246	92.0
150.12752	74.7
150.89020	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	150.0549
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
52.08803	1.0
52.17982	1.1
53.03878	4.8
55.01815	2.1
56.04961	5.9
56.96504	9.9
61.01064	2.1
65.03857	4.6
67.05425	29.6
76.78041	1.2
79.05403	6.3
81.87189	1.0
92.10171	1.4
94.05915	2.3
94.06496	67.7
95.04903	5.5
98.97507	1.7
104.05288	2.5
106.06496	18.4
122.05980	38.9
124.81639	1.1
133.03154	2.4
150.05486	100.0
150.09050	1.4
151.05861	1.2
154.24991	1.1
157.41728	1.2
163.25375	1.4
168.06503	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	151.1118
Annotation	4-tert-Butylphenol
Peak:m/z	Relative Intensity
55.01796	0.8
56.96491	3.8
57.03373	0.9
57.06992	4.7
67.05424	4.5
69.06974	0.9
76.51517	1.6
78.46924	0.8
79.05407	1.2
81.03331	12.9
81.06983	1.7
85.52026	1.9
87.00374	1.2
88.00386	1.7
88.02283	1.8
91.05412	1.1
94.04112	9.0
95.04884	14.1
95.08514	1.2
97.00945	6.7
97.02853	1.6
98.01192	0.9
99.51177	3.1
101.77493	0.9
106.01434	1.6
108.51753	1.2
115.96404	0.9
133.97420	1.3
136.10739	1.6
151.11160	100.0
151.13031	21.7
152.03430	1.6
152.05693	1.1
152.06984	1.5
152.11472	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	152.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67505	0.2
54.81818	0.2
55.02922	0.6
56.04962	1.8
63.00640	1.2
75.40258	0.2
80.10107	0.2
90.35339	0.2
92.10825	0.3
102.05486	0.3
106.04826	1.0
107.03500	0.5
109.05075	1.9
110.03471	12.7
112.96453	0.3
128.04521	8.1
134.04568	1.6
135.02975	12.3
151.44048	0.3
152.05643	100.0
153.04044	38.2
153.05991	0.6
154.02405	1.0
164.43190	0.3
166.44069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	Guanine
Peak:m/z	Relative Intensity
52.16082	0.2
52.54335	0.3
55.02931	0.5
56.04980	2.5
59.99454	0.3
63.00640	1.9
81.59498	0.3
82.63744	0.3
100.30556	0.3
106.04845	1.2
109.05084	2.1
110.03473	14.4
128.04523	7.3
128.89029	0.3
131.17007	0.3
134.04582	1.9
134.05998	0.6
135.02982	13.8
135.04025	0.5
136.01346	0.4
140.99953	0.3
152.05647	100.0
153.04051	42.6
153.04999	1.0
153.05986	1.1
154.02448	0.5
154.04507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	0.5
55.05440	2.4
56.96244	0.8
56.96501	17.9
57.03373	4.5
59.04932	100.0
60.05248	0.6
61.32281	0.5
65.03850	1.4
69.03348	4.8
71.04906	1.3
71.32748	0.5
73.02822	1.1
73.06470	0.9
77.05926	0.7
79.05428	0.7
83.04874	0.6
85.02778	0.5
87.34981	0.6
91.05379	0.6
92.01191	2.5
95.04859	1.0
98.01203	2.4
98.97511	11.5
105.01968	0.6
106.06487	1.1
107.01736	3.0
107.04885	2.9
110.03503	1.2
110.05975	0.8
111.04394	2.9
113.08736	0.7
115.02265	0.9
116.98561	14.5
117.09066	3.6
120.02539	3.0
124.07566	0.8
125.05920	0.8
125.33628	0.6
128.52838	4.3
128.98569	0.7
129.02147	0.7
129.03053	2.3
134.05989	1.0
134.99629	21.5
135.02948	0.9
135.10132	1.0
136.03860	0.7
137.53271	0.9
137.98337	0.8
138.03587	1.0
146.99638	0.7
152.03438	1.1
152.05634	9.6
152.06953	5.1
152.10716	1.2
153.00681	7.5
153.04102	5.2
153.05275	1.0
153.06555	1.3
158.01366	0.7
172.03877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	Vanillin
Peak:m/z	Relative Intensity
53.67117	0.3
56.96499	1.3
65.03864	58.0
66.04178	0.5
66.35837	0.2
66.52365	0.2
69.03338	0.3
73.05019	0.3
83.04913	0.3
87.20132	0.3
92.10247	0.3
93.03330	22.5
97.06453	0.4
104.50400	0.2
107.04897	0.5
110.02853	0.3
110.03603	10.6
111.04386	100.0
112.04722	1.6
121.02818	0.6
122.98148	0.3
124.24996	0.3
125.05944	39.7
125.60042	0.3
126.06256	0.3
134.05948	0.3
150.60852	0.3
153.05437	16.8
153.06639	0.7
153.39229	0.3
154.05713	0.3
161.84988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60111	73.7
69.48914	66.3
69.68050	84.2
71.12966	78.8
114.40495	72.5
154.02478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1226
Annotation	pseudo-Pelletierine
Peak:m/z	Relative Intensity
51.52923	0.7
52.02221	0.9
52.02459	1.0
53.03877	1.8
54.81702	1.1
55.01823	7.4
55.05451	100.0
56.96499	11.2
57.07017	8.9
58.06545	1.0
67.05415	4.8
67.64571	0.9
69.03342	5.7
69.06985	15.8
70.06518	13.8
70.19875	0.9
71.94015	1.5
71.95154	5.3
72.08063	7.0
72.93702	9.1
83.04897	11.5
84.08059	7.3
90.94738	1.7
92.10924	3.4
98.05977	8.6
100.07561	10.4
112.07549	30.8
113.96342	4.1
116.00102	1.3
125.09579	5.4
131.97406	4.4
133.05894	1.2
136.07404	1.0
137.98300	1.0
138.01797	1.6
150.88808	1.0
154.04976	1.7
154.08583	1.5
154.12248	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	154.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.9
55.01813	100.0
55.05451	70.0
56.96498	4.8
57.03355	1.1
67.05430	2.8
69.03383	0.6
69.06971	0.6
71.95169	3.1
72.04429	23.0
72.93701	4.5
81.06934	0.8
83.04907	0.7
83.08540	25.0
84.04428	46.9
90.94730	0.9
94.06499	0.8
97.02773	0.6
98.09618	1.2
100.11189	40.1
131.97412	1.5
138.01828	1.5
154.04947	2.7
154.08640	1.1
154.12234	9.7
158.99611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1064
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
54.04584	0.6
54.09511	0.5
55.01810	1.4
55.05453	21.0
57.03366	4.2
57.07006	0.8
59.04926	3.3
61.61271	0.6
65.03880	1.5
67.05427	100.0
68.05758	0.9
69.06986	1.3
71.04906	3.8
72.93707	1.3
79.05405	2.8
81.06978	13.4
83.08542	6.1
85.06470	1.5
90.94749	0.7
91.05397	4.4
93.06967	0.9
95.04881	0.9
95.08519	2.8
107.08531	0.7
109.06574	0.6
109.10107	19.9
111.08046	1.2
114.09121	1.2
119.08498	1.0
131.97403	0.8
138.01819	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1065
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
52.62909	0.2
53.00238	0.3
53.03891	0.5
55.01817	0.7
55.05453	22.0
57.03379	4.0
57.07015	1.8
58.39801	0.3
59.04935	4.5
65.03867	2.2
67.05428	100.0
68.05766	0.6
69.06993	2.4
71.04900	2.9
72.11774	0.3
72.93709	0.6
73.20563	0.2
77.60378	0.3
79.05407	2.8
81.03332	0.4
81.06975	14.9
83.08531	5.9
85.06476	2.2
91.05415	3.6
93.01240	0.3
93.06999	1.8
95.04917	0.4
95.08543	2.4
107.08560	1.8
109.06465	0.4
109.10104	20.8
111.08018	2.8
119.08549	0.7
130.84404	0.3
137.09639	0.5
138.01817	0.5
138.14922	0.3
145.79074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
55.01806	0.8
55.05452	24.1
56.96495	0.9
57.03364	5.4
57.07003	2.6
59.04934	6.3
59.97955	0.6
65.03852	1.3
67.05428	100.0
68.05750	0.6
69.06975	2.7
71.04895	3.4
72.93684	2.8
79.05396	2.8
81.06973	15.7
83.08555	5.6
85.06458	1.3
91.05413	4.4
92.10266	0.8
93.06956	0.9
95.04871	0.7
95.08514	3.3
96.40571	0.6
107.08529	1.4
109.06415	0.8
109.10110	20.0
110.05993	0.8
111.08004	2.7
113.73237	0.7
114.09120	1.3
119.08522	1.0
122.37930	0.7
138.01828	3.6
155.08153	0.9
156.35896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03858	0.7
55.01810	0.7
55.05447	9.4
56.02590	1.0
56.96509	1.7
57.03363	1.5
67.05079	1.4
67.05428	32.1
69.06989	1.7
71.04909	100.0
72.93700	2.1
79.05418	1.8
81.06973	21.2
83.05356	0.9
83.08515	0.8
85.06453	2.0
92.10355	1.4
95.08540	1.9
109.10112	5.9
110.05994	1.0
111.04298	0.8
114.09113	1.9
120.04424	0.9
131.97408	1.2
137.07092	1.2
137.57431	1.0
137.58437	1.1
138.01834	6.0
149.04250	0.9
156.03009	1.0
156.10158	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	2.0
53.11109	1.5
53.33213	1.4
53.94349	1.4
55.05453	12.6
56.96504	4.0
57.03369	1.7
59.04937	2.6
67.05426	54.8
69.06998	3.6
71.04907	100.0
71.95186	1.6
72.93703	17.5
79.05401	3.6
81.06980	24.4
90.94743	3.9
91.05363	1.7
91.36844	1.8
93.19733	1.5
95.08519	2.4
99.68512	1.6
109.10135	15.0
110.07069	2.9
111.04404	1.9
113.96328	3.0
114.09105	8.0
114.38045	1.8
131.97403	10.9
138.01839	15.9
150.96822	4.2
155.07013	2.7
156.06517	1.8
156.10173	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	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44729	1.6
74.09618	9.7
83.06030	12.3
93.04461	5.7
95.05997	7.4
96.96872	2.4
110.07120	100.0
130.06279	16.4
156.04195	83.0
156.07675	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	156.0768
Annotation	L-Histidine
Peak:m/z	Relative Intensity
56.04978	0.9
63.28943	0.2
68.04943	0.9
77.28175	0.2
81.04467	1.0
82.05238	3.4
82.05698	0.3
83.05524	0.4
83.06023	12.4
93.04453	8.2
95.06017	7.9
110.07114	100.0
111.05524	0.4
111.07445	1.1
112.57149	0.2
156.07655	12.4
161.48679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1383
Annotation	2-Propanone, 1-[(2R,6R)-6-methyl-2-piperidinyl]-
Peak:m/z	Relative Intensity
50.83271	1.1
54.55860	1.4
55.01815	45.0
55.05437	1.9
56.96500	18.8
57.07014	10.3
65.16382	1.2
69.06993	1.4
70.06509	6.5
72.04433	100.0
74.93070	2.9
76.77615	1.2
97.99105	1.4
102.12756	2.7
110.07109	2.6
110.94858	1.5
116.06999	2.1
126.09134	2.0
132.68044	1.3
136.79990	1.4
156.10229	2.3
156.13817	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	1.9
54.81205	0.8
54.99778	0.8
55.05439	2.3
56.96500	16.0
58.90206	0.9
64.84808	0.7
70.06512	2.1
71.08546	100.0
83.53613	0.9
114.09129	3.8
114.12791	1.1
116.00150	1.3
116.07021	1.3
126.09039	1.5
156.10147	1.9
156.13803	9.7
162.13297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1383
Annotation	2-Propanone, 1-[(2R,6R)-6-methyl-2-piperidinyl]-
Peak:m/z	Relative Intensity
53.00241	1.2
55.05448	3.5
56.96505	9.8
57.03368	1.6
57.07014	100.0
67.05441	1.3
70.06506	0.8
72.08055	0.7
85.06457	4.2
90.40643	0.8
92.38092	0.7
93.06969	3.4
95.04893	1.1
96.29630	0.6
97.99116	1.1
100.07536	8.4
106.33448	0.7
110.07113	1.5
111.08004	1.0
116.06966	0.9
156.08063	3.0
156.13812	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	100.0
56.96498	20.1
57.03376	27.6
57.07005	7.5
59.15347	1.1
59.77726	1.0
65.10585	1.0
66.80371	1.1
68.00688	1.2
70.06500	2.1
74.05994	29.5
76.44139	1.2
77.11001	1.1
83.08542	42.5
86.05520	1.6
86.05989	24.3
100.11189	94.4
104.07074	1.1
110.07143	2.5
116.07008	1.2
138.03859	1.3
156.10165	4.2
156.13823	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75387	0.3
59.14675	0.3
62.11542	0.3
66.16730	0.3
78.25552	0.3
82.99773	0.4
101.00804	7.7
102.00940	1.5
107.05196	0.4
119.01872	100.0
120.01944	12.9
121.01595	0.6
121.02378	0.4
137.02925	60.7
137.99802	0.4
138.03009	6.6
142.03481	1.8
143.03586	7.2
144.03265	0.7
160.04427	0.6
161.02921	2.2
161.04648	4.4
179.03954	7.9
179.05418	0.4
181.88245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0548
Annotation	5-Hydroxyindole-3-carbaldehyde
Peak:m/z	Relative Intensity
53.10271	0.7
56.55320	0.7
56.96497	4.5
57.03376	0.7
69.03345	1.4
69.87052	0.8
70.06511	0.8
74.05606	0.8
77.41860	0.7
78.70012	0.8
89.03825	4.2
92.01189	1.2
92.49727	0.7
102.96812	3.5
106.06493	1.4
107.04886	1.1
116.04923	26.0
117.01839	0.8
117.06998	1.1
118.07301	3.5
119.99403	1.0
120.97875	1.5
127.52011	5.5
128.02296	1.7
129.12929	0.8
134.05986	22.5
136.52582	4.1
138.98875	1.2
139.01796	1.3
141.51762	8.5
144.04434	24.5
144.08073	17.8
145.08417	54.0
146.05870	1.1
150.52298	9.0
162.05469	100.0
163.05759	1.8
164.82114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0759
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
55.01817	0.7
55.05446	1.4
56.04974	24.8
56.71156	0.4
56.96505	0.7
57.03368	3.6
58.99512	0.5
60.04453	0.7
68.04952	0.5
69.03353	4.3
69.17941	0.5
70.06508	8.9
71.04907	1.0
73.02827	2.7
74.05992	7.9
77.76609	0.5
81.03316	0.8
81.06971	0.7
81.93799	0.5
83.08547	0.9
83.80933	0.6
84.04427	100.0
84.08054	1.3
85.02831	6.1
85.06458	0.8
90.62132	0.7
91.00768	0.6
94.06538	0.7
97.02811	1.2
97.75947	0.5
98.05988	5.7
98.09611	4.1
99.04382	3.2
101.02357	0.9
102.05466	4.5
102.96810	2.2
103.03873	3.8
116.05280	1.0
116.07037	33.6
116.10686	2.5
117.05456	0.6
119.01824	0.7
120.06516	4.6
120.08043	2.6
120.97887	1.3
121.01647	1.1
126.05460	2.4
127.03850	1.1
130.04979	11.4
138.98952	0.7
139.01715	0.9
144.06598	2.0
144.10255	0.6
144.51984	0.6
145.04935	5.0
162.05672	0.8
162.07617	4.1
162.08849	0.6
162.11276	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03887	1.5
55.01808	1.6
56.96503	1.7
57.07004	1.8
58.00223	1.6
59.41285	1.5
61.61028	1.4
63.02320	1.8
69.03353	4.0
71.08457	1.5
71.28550	1.7
79.05392	13.7
80.51748	1.6
89.03834	91.5
89.18430	1.6
95.04887	6.7
97.02097	1.9
103.05398	25.5
107.04882	16.6
112.92909	1.8
117.03325	77.0
119.79261	1.9
131.04919	14.8
131.69566	1.8
135.04384	100.0
145.02809	33.5
152.76474	2.1
163.03859	73.3
168.95467	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	163.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	1.1
53.03910	1.1
54.03831	0.8
55.05189	1.2
55.05452	29.3
56.96503	7.0
57.03371	1.2
57.07011	100.0
59.04934	1.6
59.53264	0.9
63.04406	1.0
65.43500	0.8
69.03354	5.1
71.04942	0.8
83.08532	5.0
85.02840	1.0
89.05951	46.9
92.01182	1.5
97.02832	1.1
98.97510	1.7
99.04375	1.7
100.02412	7.0
101.09599	10.1
103.05402	4.8
105.02022	1.0
107.07005	11.8
110.33289	1.0
113.79697	0.9
115.52045	2.0
118.02731	1.0
118.03477	7.0
124.52607	1.8
131.04904	2.1
135.04416	1.1
144.04613	0.9
163.02725	1.8
181.03827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0704
Annotation	4-Oxo-1-(3-pyridyl)-1-butanone
Peak:m/z	Relative Intensity
56.96495	1.9
57.06852	0.2
62.55568	0.2
81.03300	0.2
82.01339	0.3
91.05401	2.1
95.04910	0.3
100.02411	3.2
101.00824	0.3
103.05406	0.3
105.03345	0.2
106.06477	0.2
117.05696	0.3
118.03457	3.4
118.06490	6.7
119.01873	4.3
119.04875	0.3
127.02308	0.2
128.04919	26.0
128.52788	0.8
129.02956	0.2
129.04428	0.3
129.05298	0.7
133.05164	0.3
133.52002	0.3
134.06029	1.5
135.06308	0.2
137.02927	2.5
142.03453	1.8
142.52577	0.4
146.05980	100.0
147.06340	2.6
150.57567	0.2
160.04510	1.3
164.07051	2.4
178.89769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59865	0.3
56.04973	95.8
57.05297	0.5
57.51109	0.4
63.02637	1.6
69.49165	0.4
74.02351	32.9
74.05987	30.6
84.04424	12.3
85.02827	3.4
100.02412	2.2
101.00817	0.5
102.05474	100.0
102.47392	0.4
106.52782	0.3
114.65099	0.4
118.03467	1.5
119.01868	6.1
125.70482	0.3
137.02946	2.2
139.22598	0.3
142.03505	0.8
149.16812	0.3
164.07368	0.7
168.83035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0931
Annotation	6-Dimethylaminopurine
Peak:m/z	Relative Intensity
54.18061	0.2
56.96501	1.5
57.03374	0.2
63.92862	0.3
69.03367	0.3
70.03687	0.3
71.06029	1.7
74.05983	0.2
78.95193	0.5
81.03326	0.8
91.05418	0.3
94.03992	1.6
96.05574	0.6
100.02409	1.4
101.00793	0.9
102.05416	0.2
103.52127	0.2
108.04372	0.8
108.05533	0.2
118.03465	0.8
119.01869	11.4
119.03534	0.3
119.04899	0.4
119.97778	0.2
120.04324	1.4
121.05067	4.4
122.05856	0.9
122.94131	0.3
123.06645	2.1
128.52797	1.2
131.09709	0.2
135.06544	0.2
136.03918	2.0
137.02928	5.6
137.08163	0.8
137.53340	0.3
137.98346	0.7
142.03476	4.6
146.08081	0.5
147.04369	0.7
149.06955	3.9
152.03296	0.9
158.96269	0.3
160.04533	2.6
162.07764	2.8
164.09286	100.0
165.09563	0.9
172.03880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72143	0.3
53.03893	3.1
55.01812	0.6
55.05436	0.6
56.04969	3.4
57.03367	2.1
57.05297	1.8
61.02850	0.5
67.05393	0.4
69.03343	5.0
73.02814	0.7
73.51854	0.3
74.02357	3.4
74.05991	0.4
81.03331	0.5
82.99829	0.3
83.04890	2.4
85.02816	2.8
87.81392	0.3
90.30873	0.3
91.05407	6.4
92.10916	0.5
93.06951	0.7
95.04894	67.9
99.04369	0.5
101.00808	1.9
102.05478	1.6
103.05318	1.2
103.05880	0.7
105.04465	0.9
119.01874	18.8
119.04890	11.2
121.06442	0.8
123.04382	100.0
124.04760	1.5
126.42339	0.4
137.02940	9.0
142.03467	6.9
142.95093	0.4
147.04395	7.5
160.04535	3.3
165.05461	0.8
166.07188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
54.81837	0.4
55.91910	0.3
56.96487	0.8
63.54853	0.3
64.75656	0.3
65.03849	1.9
69.03342	0.5
73.10712	0.4
78.51489	0.3
91.05405	35.9
92.10941	0.7
95.04878	2.2
101.00820	2.9
101.02492	0.4
107.02516	0.6
119.00583	0.5
119.01002	0.8
119.01877	36.2
119.04893	63.5
120.01997	0.5
120.08054	0.6
123.04370	2.1
137.02928	19.4
142.03487	16.0
147.04388	100.0
148.04738	0.7
149.96645	0.4
160.04535	9.4
165.05431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0497
Annotation	6-Methoxybenzoxazolin-2(3H)-one
Peak:m/z	Relative Intensity
55.39915	0.8
56.96506	6.4
64.81010	0.8
65.03851	1.7
68.32679	0.9
76.92376	0.8
84.04439	0.8
84.95950	1.0
88.51542	0.9
89.49908	0.9
95.03634	4.2
95.04897	20.3
97.52029	1.5
100.24667	1.0
102.00843	1.1
102.02160	4.2
103.05388	3.7
106.52591	1.3
107.03636	3.4
110.05991	22.8
119.01880	9.8
120.01943	29.9
120.03214	4.6
120.08049	35.4
121.01625	4.0
122.05965	7.3
123.04367	4.3
123.16087	0.9
137.02927	9.7
137.98320	5.0
138.03021	20.4
138.05458	4.5
139.02586	1.3
142.03476	1.6
142.96657	0.9
143.03600	15.9
148.04799	0.8
151.02640	13.8
160.04604	0.9
161.04634	9.0
166.04956	100.0
166.08589	3.5
184.06004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
62.06356	0.2
65.13272	0.2
70.19447	0.2
71.28555	0.2
75.59672	0.2
79.05427	1.9
91.05400	1.2
93.06961	3.2
95.04880	0.4
103.05406	15.6
103.30454	0.2
107.04901	2.3
111.55217	0.2
120.08057	100.0
121.08398	0.4
131.04893	1.4
148.82512	0.2
149.05988	0.4
158.99541	0.2
166.08589	1.1
188.56093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86830	2.3
56.04987	2.6
57.38847	2.4
62.34826	2.6
67.05431	3.3
68.07611	2.2
69.03357	3.5
73.02840	2.6
74.02386	2.8
81.55799	2.6
93.21680	2.6
94.06495	22.9
95.06022	21.5
95.36287	3.0
96.04385	4.4
106.06479	3.3
122.05992	18.7
124.03886	3.0
133.03403	3.3
138.05525	4.4
139.56752	2.6
150.04332	5.5
150.05486	100.0
150.06706	4.3
152.07100	5.0
154.04834	3.3
162.95856	2.6
168.05206	5.5
168.06534	25.4
168.10147	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	168.0653
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
53.03887	1.1
65.03871	0.4
67.05421	6.0
74.44866	0.2
79.05393	1.0
92.10959	0.3
94.06487	19.9
95.04881	0.3
106.06484	6.2
121.97988	0.3
122.05972	13.0
150.05466	100.0
151.05798	1.0
168.05069	0.5
168.06485	7.1
168.07858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11420	0.9
53.00223	0.6
53.03883	3.7
54.81711	0.9
55.01804	3.6
55.05454	100.0
56.05783	0.8
56.96494	3.6
65.03841	0.8
67.93491	1.2
69.03340	4.6
69.06976	1.1
70.06499	4.5
81.03354	1.1
81.06969	4.3
83.08540	27.9
84.08060	2.0
84.08808	0.8
86.05988	1.3
89.22906	0.8
92.10947	1.6
95.04932	0.8
98.05984	9.6
98.09623	10.5
100.11196	21.8
109.02824	1.4
122.05965	0.8
126.09127	8.6
139.18634	0.7
141.05399	1.5
144.93256	0.7
152.03397	4.0
168.06551	0.9
168.13762	5.9
169.04907	1.2
187.63838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1383
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
53.00237	3.3
53.03877	0.8
55.01817	2.6
55.05188	1.1
55.05452	29.5
56.96503	5.0
57.07018	9.0
58.06509	0.7
67.05424	5.7
67.93477	1.2
69.03334	3.3
69.06988	100.0
70.06506	11.4
70.07302	0.7
72.74672	0.7
73.09190	0.6
79.05427	0.7
81.03311	1.2
81.06950	0.7
83.04881	7.6
84.08069	8.2
86.09629	46.4
89.46400	0.6
94.06509	0.8
95.04849	0.8
95.08540	0.8
95.97367	0.7
97.06457	1.3
100.07544	14.0
107.08436	0.8
109.02798	1.3
111.04401	0.7
112.07554	15.8
121.01546	0.9
126.03066	1.1
126.09112	3.0
127.03849	1.3
139.02666	0.9
141.05435	3.8
152.03383	3.9
152.67670	0.8
156.99312	0.7
168.06503	1.4
168.10138	0.9
168.13802	31.7
169.04955	1.2
169.07600	1.2
175.02740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
55.01793	1.1
55.05446	1.1
55.93455	1.9
56.96507	13.0
58.24947	0.9
62.29459	0.9
65.03869	68.9
67.05418	5.1
69.03340	1.4
69.06977	2.6
69.14947	1.0
78.40842	1.1
78.55988	0.9
79.05380	1.1
79.29016	1.0
81.03327	4.8
81.06969	2.4
87.20615	1.2
92.10234	1.7
93.03318	10.9
95.04897	2.1
95.08506	1.3
109.02826	5.0
110.03606	10.3
111.00787	2.3
111.04398	100.0
112.04718	1.1
123.04436	1.2
125.05941	19.6
126.03081	4.4
128.95039	3.9
134.05963	2.0
137.41678	1.1
141.05432	5.8
146.96135	7.8
146.99576	1.2
151.03888	14.9
151.04993	1.7
152.03380	15.0
152.07089	1.6
154.02565	1.8
169.04977	10.7
169.07558	29.1
169.09698	2.6
170.97528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.076
Annotation	Norharman
Peak:m/z	Relative Intensity
56.96504	1.2
57.02437	0.2
69.06964	0.2
78.01908	0.2
95.04912	0.2
115.05428	1.7
121.70196	0.2
121.94418	0.2
126.15258	0.2
128.18361	0.2
134.05980	0.8
141.05504	0.4
142.06514	0.3
149.01152	0.2
151.08571	0.2
152.03432	0.9
152.07101	0.3
162.05502	0.3
164.60805	0.2
168.06816	0.9
169.07578	100.0
170.07944	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0759
Annotation	Norharman
Peak:m/z	Relative Intensity
52.82482	0.2
56.96490	0.9
65.03855	0.3
67.05423	0.3
73.87806	0.2
74.36471	0.2
79.05383	0.3
79.80708	0.2
79.86629	0.2
81.06989	0.4
88.48085	0.2
95.08495	0.2
100.02415	1.5
107.08524	0.3
109.02832	0.5
111.04373	0.5
115.01096	0.3
115.05404	1.2
118.03468	1.5
120.53916	0.3
123.04203	2.3
123.07990	0.4
123.54274	0.4
125.53136	7.5
126.03221	2.5
128.04907	1.5
129.05672	0.2
130.06473	1.4
131.27100	0.2
132.04524	2.3
133.05190	0.3
134.05946	1.1
134.53596	0.4
137.03934	5.9
137.54007	1.5
141.05412	1.0
145.05161	1.0
146.04471	3.2
146.05937	1.1
146.54439	0.3
148.54733	0.3
152.03354	1.7
152.07031	1.3
168.06798	1.1
169.07568	100.0
170.05991	0.2
170.07921	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	169.1222
Annotation	Geranic acid
Peak:m/z	Relative Intensity
50.16519	1.3
54.81670	1.4
55.01801	1.9
55.05443	7.1
55.93442	1.6
56.96489	10.1
57.03366	1.9
57.07014	14.4
59.04925	1.5
64.76740	1.3
65.03867	11.9
67.05431	18.8
68.99699	2.4
69.03337	2.0
69.06976	7.1
71.04903	3.6
75.41183	1.5
79.05401	2.1
81.03332	3.4
81.06980	13.0
83.08524	3.9
91.05379	2.4
93.03338	1.9
93.06965	6.4
95.04883	2.7
95.08508	1.9
99.04329	1.8
107.08536	3.0
109.02808	7.8
109.06442	3.2
109.10101	80.8
111.00739	9.2
111.04372	16.9
111.08028	100.0
123.08041	5.6
123.11655	1.8
125.05941	2.2
126.03102	13.2
127.11147	89.0
128.95067	2.3
133.10150	1.9
141.05441	23.8
145.73004	1.4
146.96100	8.2
147.62233	1.5
151.03903	2.8
151.11229	2.0
152.03398	16.7
152.07082	3.1
155.00175	1.4
169.04837	7.0
169.07530	6.1
169.12184	16.8
170.04454	1.8
170.09608	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70087	1.2
53.00252	2.9
55.05458	2.8
57.07013	69.7
63.93768	1.6
69.06988	63.9
72.04449	2.6
76.56652	1.6
83.08525	3.4
84.04421	9.0
85.06465	56.6
86.09628	100.0
89.07065	2.0
102.09118	30.2
106.00428	2.0
112.15458	1.7
114.09107	5.9
118.03437	1.9
128.94987	1.8
132.05067	2.0
146.96095	2.9
163.03899	2.8
170.09666	3.6
170.15393	20.2
171.14948	2.8
182.82164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71275	0.9
53.00243	4.3
54.82338	1.0
55.05460	8.8
55.93460	1.5
56.96481	2.1
57.07018	7.6
62.18617	0.8
69.06991	4.3
71.08549	100.0
72.04439	10.3
81.06963	1.0
83.08527	2.5
83.21962	0.9
84.04427	17.5
84.83533	1.0
85.14388	0.9
86.09595	4.5
89.07069	5.4
92.04910	1.1
93.05717	1.3
96.21768	0.9
96.85747	0.8
97.06466	1.0
100.02425	2.1
100.07555	7.6
114.09129	2.2
118.03481	1.2
121.63419	1.1
124.07539	1.9
128.95013	1.7
130.04950	7.6
145.06448	1.0
146.96095	5.4
152.07082	1.6
163.03888	4.9
170.08121	2.3
170.09561	4.5
170.15358	67.7
171.14919	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	170.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	8.9
55.05447	3.2
55.93473	1.9
56.96503	1.4
57.06741	1.7
57.07011	49.1
69.06960	1.7
72.04421	12.0
80.17852	1.3
83.08537	3.0
84.04424	23.8
85.10101	100.0
88.96825	2.1
89.07048	5.9
92.10241	1.8
93.05713	2.1
97.21358	1.4
111.13887	1.3
127.30119	1.4
128.10655	2.3
128.95009	3.2
130.04965	8.4
134.06030	2.1
139.08347	1.3
146.66014	1.2
146.96115	8.5
152.07024	1.5
163.03856	2.9
167.89314	1.2
170.08278	1.4
170.09636	6.4
170.15373	16.1
171.14856	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	171.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77910	34.8
61.17442	44.8
96.06794	100.0
97.07109	69.3
110.07893	51.6
137.16078	45.7
139.02473	38.5
171.01572	54.4
171.09596	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	171.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60523	0.2
53.03883	0.4
55.05450	25.0
56.96508	0.6
58.38108	0.2
58.94287	0.3
60.75886	0.3
67.05433	0.3
69.06990	0.3
72.04429	100.0
73.04762	0.5
83.08537	27.0
84.04407	2.3
84.08850	0.4
84.28682	0.3
86.29312	0.3
87.48388	0.2
89.07075	57.3
90.07433	0.3
97.10105	0.3
98.97510	0.6
100.61755	0.3
111.04320	0.3
116.98562	0.4
119.01748	0.4
123.39378	0.4
126.09089	1.2
128.02272	0.6
130.04979	0.4
171.14885	50.2
172.15254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	5.3
56.96504	100.0
57.07004	0.8
59.04934	1.0
65.03860	1.2
67.05431	34.9
68.95217	1.1
69.06990	0.9
72.04430	3.7
72.93689	1.3
74.97537	6.1
81.06985	5.9
83.08517	3.6
89.07084	3.3
91.05408	20.3
92.10285	1.8
95.08540	4.5
97.61842	0.8
98.97500	10.8
100.02418	1.2
100.99076	4.7
103.02390	10.5
109.10114	22.3
112.99087	3.1
116.98592	7.6
118.03464	1.7
119.00144	5.6
119.04902	24.5
119.08590	1.0
120.05193	1.5
121.03433	9.8
122.03560	1.2
126.09110	12.4
131.00133	13.0
133.03433	15.8
134.03555	1.4
134.99628	3.4
137.09697	0.9
144.05077	1.7
147.04387	43.3
148.04767	3.8
149.01201	42.9
151.04521	15.1
152.04587	1.2
156.04974	5.6
167.02237	25.8
171.14934	1.5
172.02866	0.9
172.09737	0.8
173.11699	6.5
174.06172	6.3
174.07448	1.1
176.77145	1.0
177.43866	0.8
185.03253	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95180	0.6
51.59360	0.8
53.00248	2.1
53.20154	0.7
57.07013	100.0
59.99046	27.4
72.04424	2.0
86.46754	0.9
89.07075	1.6
90.07445	0.8
90.90298	1.5
114.37460	0.9
116.05274	11.7
126.09146	3.6
172.09782	1.6
172.11273	1.8
172.15211	1.1
172.16762	0.9
187.92255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	1.6
54.24440	0.9
55.05443	2.3
56.13165	1.0
56.96490	1.2
57.07011	100.0
59.99041	30.1
60.45883	0.9
66.61481	0.8
67.05430	17.0
72.04420	2.4
76.60334	1.0
81.06992	4.2
83.07288	1.1
84.04411	2.0
84.08095	1.0
95.08551	1.1
99.22699	1.0
99.98818	1.1
109.10109	11.1
116.05270	15.8
126.09105	18.0
128.08727	1.3
172.09793	2.0
172.11179	1.5
172.15120	1.1
173.11775	2.3
188.15691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68382	0.3
54.34883	0.3
54.55471	0.3
55.05433	0.8
56.96501	3.2
57.03369	1.3
57.07011	27.3
58.07356	0.4
67.05419	2.3
72.04420	6.4
72.93681	0.5
80.96829	0.3
81.06962	0.4
83.08521	0.5
87.06783	0.5
98.01228	0.7
98.97501	1.6
102.09110	5.0
103.67088	0.4
107.01747	0.5
109.10101	0.7
110.63579	0.4
116.10666	6.7
116.98587	0.7
119.01754	0.8
120.02515	0.5
126.09084	1.9
130.12245	2.0
134.99648	0.7
137.02814	0.5
142.39937	0.4
172.16920	100.0
173.17287	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22695	0.6
53.00228	0.7
55.05441	1.7
56.96505	8.7
57.03363	1.8
57.06785	1.0
57.07016	17.4
59.41032	0.6
61.02841	1.7
67.05426	2.6
68.04926	0.8
68.95205	1.0
71.08548	1.3
71.95159	0.9
72.04418	1.5
72.93691	1.4
73.02818	3.4
74.05987	8.4
83.08526	0.8
84.04423	1.8
84.08060	3.8
85.02836	1.1
85.06459	8.2
86.09635	0.9
88.11191	2.8
90.94736	1.4
98.01198	3.2
98.97498	4.0
102.09115	69.4
105.02042	1.0
107.01732	2.9
109.10114	1.0
109.71955	0.9
110.01218	1.6
116.00239	0.8
116.98563	3.2
119.01759	3.0
124.71634	0.9
126.09113	19.5
128.02261	1.5
129.03072	0.7
130.52600	0.8
134.99644	1.7
137.02794	1.4
139.53053	1.2
146.99660	1.7
165.00717	1.1
172.09659	3.2
172.16927	100.0
173.17311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81385	5.4
55.05432	6.1
67.05430	100.0
71.05501	4.8
76.55832	4.3
83.01992	4.0
86.09621	8.6
88.90166	4.6
91.71564	4.8
93.88095	4.3
101.32195	4.6
109.10121	39.8
118.03601	6.0
118.06488	5.2
126.36243	4.6
130.06461	6.0
131.92116	5.0
173.07729	6.0
177.43512	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	173.1171
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
55.05453	17.3
56.96494	5.1
57.03365	2.9
57.07001	1.8
59.04924	4.8
59.52298	1.0
62.66185	1.0
67.05427	100.0
69.06988	2.7
69.37448	1.4
71.04913	2.2
72.93690	6.6
79.05362	1.5
81.06968	18.1
83.04836	1.5
83.08540	9.5
84.04456	2.1
85.06435	4.3
86.09612	5.1
90.90279	1.8
90.94727	2.4
91.05391	5.3
93.06940	1.5
95.08536	2.9
98.01225	1.3
98.97541	1.6
108.95840	1.5
109.06477	1.1
109.10102	53.8
111.08063	1.5
137.09593	1.4
145.07617	1.8
173.11688	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	173.1171
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
54.13978	0.8
55.05448	17.1
56.96490	2.0
57.03355	4.2
57.07010	1.8
57.95560	0.8
59.04932	7.8
67.05426	100.0
69.06985	2.0
71.04900	1.1
72.93680	4.2
79.05389	1.5
81.06969	17.3
83.04992	0.8
83.08537	7.8
85.06447	2.0
86.09621	4.6
90.90285	2.2
90.94770	1.5
91.05402	4.7
92.10294	1.4
93.07013	1.4
95.08552	1.8
98.01234	1.4
98.97543	1.0
108.01939	1.0
109.10105	47.7
111.08031	1.3
116.98483	1.4
118.06569	0.9
119.08517	1.8
120.02422	1.0
145.07620	0.9
156.51933	1.1
173.11678	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	173.117
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
50.35625	0.7
55.05450	14.4
57.03364	3.8
57.07005	1.1
57.18119	0.7
59.04931	6.8
59.84572	0.6
65.03864	1.7
65.56462	0.7
67.05426	100.0
69.06976	3.1
71.04910	2.7
74.36809	0.6
79.05403	1.6
81.06976	14.1
83.08535	8.2
85.06450	1.1
91.05392	5.2
92.10276	0.8
93.06921	1.1
95.04881	0.9
95.08537	4.0
107.08526	1.2
109.10107	50.3
119.08540	1.5
127.18536	0.7
173.11703	4.8
175.78947	0.7
187.32010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38780	0.6
54.81772	0.8
55.05218	1.0
55.05451	15.4
57.03359	3.9
57.07008	1.7
57.34427	0.8
59.04925	5.1
65.03840	0.8
67.05428	100.0
69.06991	1.3
71.04903	3.2
71.24964	0.7
79.05387	1.0
81.06974	15.3
83.08546	8.9
85.06466	3.1
86.09620	1.2
90.86890	0.8
91.05391	5.3
92.10947	1.6
93.06989	1.3
95.08525	4.5
95.92812	0.8
104.20190	0.8
107.08510	0.8
109.10110	53.1
109.10869	1.7
119.08524	1.5
137.09633	1.0
166.51537	0.7
173.11687	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	173.1171
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
50.07609	0.8
50.20567	0.8
55.05447	14.5
57.03377	5.2
57.07018	1.5
57.39188	0.9
59.04933	6.0
65.03839	1.4
67.05424	100.0
71.04909	2.2
71.61063	0.9
72.67743	0.8
79.05418	0.8
81.06978	16.5
83.08530	8.1
85.06456	1.6
86.09639	2.0
91.05424	2.1
93.06969	1.1
95.08531	2.2
107.01774	1.2
107.08577	1.8
109.10103	48.6
119.08534	1.5
128.98631	1.0
137.09576	1.0
155.54300	1.0
173.11717	4.9
181.96378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1172
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
54.34174	1.0
55.05449	17.3
57.03363	2.1
57.06999	1.6
59.04929	5.7
67.05428	100.0
68.05695	1.0
69.03338	1.5
69.06977	1.6
71.04903	1.7
71.23092	1.0
79.05386	1.5
81.06970	15.8
83.08534	5.4
84.04390	1.1
85.06445	5.0
85.57200	1.2
86.09629	2.5
91.05405	5.7
93.06960	1.2
95.08526	2.6
97.69900	0.9
109.10104	51.3
152.84468	1.1
167.72905	1.1
173.11717	5.1
180.36179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81968	0.7
55.05450	16.3
57.03363	4.6
57.07002	1.5
57.22659	0.8
59.04910	4.3
65.03853	1.3
67.05426	100.0
69.06969	1.6
71.04909	1.8
73.42001	0.9
75.56299	0.9
81.06976	19.6
83.08537	7.9
85.06472	2.0
86.09635	2.5
87.08894	1.1
91.05396	4.2
92.10918	2.3
93.06944	2.1
95.08525	1.6
109.10098	53.4
109.82446	1.2
114.37901	1.0
119.08538	1.4
173.11682	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	174.1125
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
54.07026	0.2
55.05458	0.3
56.96498	2.6
57.03367	1.4
58.06533	0.3
59.51638	0.3
60.04461	0.6
67.05422	0.3
69.06651	0.6
69.06992	10.0
70.06510	0.6
70.95791	0.8
72.04410	0.6
72.93700	1.6
75.65723	0.3
84.04451	0.4
86.09631	100.0
87.09966	0.4
90.94776	0.3
91.05396	0.5
92.10975	0.7
97.02863	0.4
98.05907	0.3
109.88937	0.3
111.98459	0.4
114.05475	0.4
128.10687	18.3
128.11649	0.6
129.99483	0.5
132.10172	6.9
146.06050	1.3
146.08083	1.2
150.96852	4.7
150.97739	0.3
173.98505	0.8
174.07574	1.6
174.08997	0.5
174.11340	0.4
174.12769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1277
Annotation	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Peak:m/z	Relative Intensity
54.92642	0.3
56.96498	0.6
57.03366	0.9
57.06998	2.6
73.09142	0.4
74.93027	0.5
79.05407	0.6
81.06962	1.5
91.05421	3.8
95.04889	0.5
96.04399	0.4
106.06499	6.4
114.05533	0.5
117.05717	4.7
118.05653	0.7
118.06490	18.6
118.91851	0.3
120.08041	0.5
128.10608	0.4
130.06505	4.3
131.07266	4.7
132.08057	41.9
133.08432	0.7
142.07738	0.8
144.08052	14.5
145.08852	13.8
146.06082	0.3
146.09659	2.9
157.10135	0.6
158.09633	9.7
159.10416	13.5
174.12744	100.0
175.13029	1.8
186.59486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1488
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
51.74321	0.6
55.01813	4.7
55.05192	1.0
55.05449	25.2
56.04965	2.7
56.96503	7.2
57.03376	5.8
57.07001	5.4
59.04916	1.4
60.05569	0.7
64.73044	0.6
65.19108	0.6
66.17001	0.5
67.05434	5.9
67.21098	0.6
69.03336	1.2
69.06989	52.6
69.83585	0.6
70.06503	2.9
70.95771	3.6
71.04898	1.0
71.08512	0.7
72.93691	4.1
73.06452	1.4
74.93063	1.6
79.05418	8.0
81.06985	10.9
82.06487	0.7
82.23267	0.6
83.04903	6.2
83.08547	1.5
86.06012	0.7
86.09609	1.0
89.35333	0.6
90.94750	1.3
91.05390	4.1
91.45453	0.7
93.06969	18.1
95.04847	1.3
95.08538	12.6
96.32584	0.7
97.06485	9.0
97.10094	15.6
98.06020	0.8
100.07524	0.9
105.06964	1.0
107.02071	0.5
107.04891	0.7
109.10128	0.7
111.11714	1.5
111.19306	0.7
111.98431	1.0
115.03896	0.8
116.07037	0.7
118.06464	0.6
119.08555	1.2
121.10101	9.2
128.04912	3.9
128.07002	0.8
129.99474	2.8
130.06477	1.0
131.07341	2.7
132.04375	1.5
132.08031	1.5
132.95805	3.2
137.98302	1.2
138.12759	2.7
139.11151	4.5
146.05991	23.8
146.08080	2.9
150.96861	13.1
156.13812	100.0
159.06737	5.0
168.97920	0.8
173.98466	3.1
174.05583	2.5
174.07622	2.5
174.09096	10.3
174.12685	2.5
174.14854	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	174.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	0.5
57.06737	0.9
57.07010	27.9
58.00438	0.5
58.06536	4.1
62.05713	0.9
62.06012	14.7
69.06955	0.5
71.08544	15.8
71.29694	0.5
73.63412	0.5
85.90074	0.5
99.68031	0.5
156.17442	14.3
174.18495	100.0
175.18805	2.9
185.57944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71069	0.5
56.96471	1.0
57.45545	0.6
70.06483	1.0
77.00797	1.3
85.01328	1.5
85.65569	0.7
85.66116	0.7
88.51615	21.0
89.01646	6.9
89.51505	8.0
97.52135	6.5
98.02158	2.9
98.51993	1.5
98.97506	8.0
100.02411	8.7
100.52433	0.9
101.00815	5.4
101.02293	1.5
103.02384	24.1
110.07088	1.4
115.02361	4.4
116.98585	10.6
119.01870	61.3
119.48918	1.3
120.02016	1.7
120.48713	1.5
121.03427	21.7
125.99180	9.5
126.49219	1.5
126.99064	4.4
128.49399	4.7
128.99496	1.4
129.49335	4.9
131.01881	1.5
131.99608	0.8
133.03429	54.1
134.03610	0.9
134.99608	9.7
137.02928	41.4
137.49980	100.0
138.00023	37.8
138.02995	1.2
138.49850	50.6
138.99861	1.3
140.00238	4.0
141.00035	1.6
142.03458	3.6
145.03426	10.2
146.50526	5.4
147.00578	1.3
147.50394	1.3
148.78375	0.7
149.00780	45.4
149.50841	17.6
150.00664	20.4
150.50746	2.5
151.04483	36.3
152.04533	1.0
153.00682	1.3
156.05028	1.0
157.03369	3.0
158.01338	0.7
160.51563	1.1
161.51457	0.9
163.04489	7.2
174.97525	1.3
175.04475	74.0
176.04634	3.6
193.05527	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	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
56.60252	0.4
60.05273	0.9
60.05580	27.9
70.06509	100.0
71.04905	2.1
72.08073	4.1
73.32479	0.4
82.34974	0.4
84.08058	5.5
84.17117	0.4
98.05994	0.4
101.88351	0.4
112.08665	3.3
114.10236	0.5
116.07040	20.1
127.50494	0.4
130.08630	1.7
130.09724	10.7
132.02811	0.5
157.10785	0.8
158.09222	5.2
175.11874	19.8
175.14308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51070	2.2
51.89244	2.3
60.05563	3.9
70.06506	26.6
71.06836	5.2
95.37660	2.4
117.08279	2.9
117.11700	2.6
132.02077	100.0
176.01059	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	176.0705
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
52.70230	0.2
55.38384	0.2
56.96235	0.3
56.96500	5.5
57.03373	0.2
57.97247	0.2
60.64608	0.2
66.08401	0.2
70.06499	0.3
71.07903	0.2
71.95198	0.4
73.26118	0.2
75.94543	0.2
98.05988	0.2
98.97512	26.5
103.05408	5.1
107.04894	1.5
116.98571	30.7
117.05613	0.2
118.06514	0.4
120.08056	0.8
128.07106	0.2
130.06493	100.0
131.06837	3.1
132.04390	1.5
133.04753	1.2
134.99620	29.1
140.00163	0.2
148.07550	0.5
148.09615	0.3
152.96913	0.3
153.00679	7.4
158.01230	1.6
158.05988	1.3
158.07927	0.8
159.06339	0.8
176.02289	0.7
176.07062	2.6
176.08464	0.3
176.09119	0.2
177.00664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0705
Annotation	3-Indoleacetic acid
Peak:m/z	Relative Intensity
55.05420	0.2
56.96500	0.4
72.54834	0.3
73.60764	0.2
83.00746	0.3
89.03835	0.6
98.97506	1.9
103.05412	3.0
116.98569	1.5
117.03332	1.3
117.07605	0.2
130.06497	100.0
131.06804	1.9
134.99632	1.5
145.02829	1.4
151.78511	0.2
155.31335	0.3
176.07022	3.1
178.37491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81463	9.9
55.08314	9.2
56.96511	8.8
61.72232	8.1
61.99360	9.0
65.14888	9.1
67.38727	7.8
72.81164	8.9
75.57364	9.9
78.18208	8.7
82.66656	8.6
85.11921	10.6
89.03835	88.6
98.97507	21.6
116.98573	62.6
117.03353	100.0
118.72709	9.2
134.99637	42.7
145.02826	75.3
149.05939	14.7
163.12761	10.5
177.05460	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	177.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40126	5.8
56.96495	13.1
60.57426	6.8
66.43489	6.1
79.84344	6.4
89.03842	63.2
97.62323	7.0
98.43656	6.7
98.97482	32.0
116.98555	31.8
117.03349	100.0
129.57959	8.1
132.99983	8.5
134.03548	11.0
134.99600	35.7
141.59731	7.6
145.02843	83.7
149.05956	16.2
156.82771	7.4
177.05411	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	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.77252	1.3
54.90055	1.5
56.96493	3.6
57.07005	2.9
61.16700	1.4
68.33890	1.5
69.18483	1.4
72.03310	1.9
72.08073	8.1
78.04634	3.0
88.00062	1.5
89.03841	63.8
91.05412	3.8
94.83559	1.8
98.97532	17.6
106.04108	3.5
116.98557	15.8
117.03327	100.0
131.03908	4.1
132.34877	1.9
133.52893	7.8
134.03584	9.4
134.99626	13.7
135.04390	3.3
139.25163	1.8
142.87639	1.9
145.02823	91.8
146.03215	1.6
149.05972	25.8
154.04179	2.4
155.04172	1.9
177.05431	27.8
199.06836	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.60003	0.8
53.03887	0.9
55.63181	0.8
56.96513	3.5
78.04611	6.1
81.68627	1.0
89.03847	63.7
91.05402	4.5
95.04906	1.3
98.97520	7.5
103.05396	1.3
105.07001	1.1
106.04137	4.8
111.53304	1.0
113.51061	1.0
116.98570	9.7
117.03331	100.0
123.10960	1.0
130.96773	1.0
134.03600	13.1
134.99622	8.7
135.04407	7.8
145.02834	87.6
145.70297	1.1
149.05960	30.7
161.69920	0.9
162.03087	1.1
163.47655	1.0
177.05443	27.3
180.72688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12817	0.4
53.00229	0.4
55.01820	0.3
56.96507	5.1
57.03374	5.4
57.07014	100.0
58.07338	0.8
61.02861	0.6
62.68623	0.4
63.49483	0.3
67.17216	0.4
78.04643	0.9
81.10246	0.4
85.06469	32.4
86.06763	0.4
88.02141	0.8
89.03844	10.8
89.69314	0.4
91.05392	1.5
92.10957	0.8
97.82381	0.4
98.97514	12.8
103.05378	0.6
103.07535	4.5
105.06992	0.9
106.04136	0.6
116.98576	16.9
117.03333	18.3
117.05743	2.4
131.06941	0.6
134.03630	2.5
134.98601	0.8
134.99628	19.2
135.04411	1.6
145.02821	14.8
146.03188	0.7
147.04369	0.5
149.02339	0.4
149.05984	5.0
150.09140	7.5
153.00688	5.2
159.10135	6.4
162.50424	0.5
177.05412	6.0
177.30415	0.4
178.08594	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.31104	1.9
55.01813	3.4
55.05452	10.1
57.03365	2.9
60.63752	2.4
61.48980	2.1
65.03810	2.4
67.05424	41.2
69.06986	4.7
79.05405	50.0
81.03338	3.7
81.06974	44.9
83.04901	3.7
89.03840	22.2
89.04318	2.5
91.05412	60.0
93.06969	63.2
95.04915	18.4
95.08555	5.1
97.06442	6.1
98.97549	2.6
99.42139	2.2
104.57382	2.5
105.06963	29.3
107.04893	3.3
107.08554	23.9
109.06487	6.1
111.07973	2.6
114.35804	2.6
116.98621	3.0
117.03320	34.9
117.06979	33.4
117.46758	2.3
118.43089	2.4
119.08520	11.1
121.06477	2.9
121.10095	6.0
131.08533	38.9
133.10089	45.3
134.03569	4.0
135.08014	6.1
135.11644	12.7
144.09361	2.5
144.60188	2.8
145.02809	26.7
147.73402	2.6
149.05983	12.2
149.09653	3.4
149.13223	15.8
159.11685	47.9
177.05444	5.8
177.12711	100.0
177.14258	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
54.81519	6.4
56.96502	40.2
63.63797	5.5
67.05441	27.7
76.92800	14.2
79.05403	35.7
81.06979	42.1
83.30702	6.8
88.02138	29.9
89.03829	11.0
91.05408	35.7
93.06984	54.6
98.97534	50.6
105.06966	27.8
107.08539	14.4
116.98573	45.8
117.03341	37.1
117.06981	29.8
131.06924	7.7
131.08543	30.0
133.10091	35.1
134.99660	67.6
145.02818	15.7
149.02357	8.7
149.05913	9.3
149.13260	13.2
153.00626	10.6
159.11723	50.1
170.97292	6.8
177.05435	13.4
177.12694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.16245	3.4
55.05442	5.1
56.96502	4.1
59.80132	3.5
64.33302	3.4
67.05425	46.0
69.06989	6.5
79.05396	52.5
80.90390	4.1
81.03339	4.6
81.06974	44.7
83.04901	6.2
91.05404	68.1
92.10929	9.2
93.06964	62.1
95.04928	8.3
95.08538	5.3
97.06461	20.6
98.97534	5.1
105.06966	33.5
107.08521	25.9
109.06478	7.9
117.06959	40.4
118.05476	4.4
119.08499	4.2
121.10145	6.3
128.04684	4.2
131.08516	49.2
131.86243	4.5
133.10103	50.7
135.07950	4.5
135.11755	4.9
145.02901	4.8
149.13252	16.9
159.11641	58.5
164.97136	4.2
177.12700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31523	2.8
53.79002	2.7
55.05443	3.0
56.96503	28.8
57.03345	2.9
67.05425	46.5
69.06984	8.0
79.05418	36.5
81.03364	4.0
81.06970	43.1
88.02144	13.1
89.03827	6.0
91.05411	46.7
93.06980	63.3
95.04897	7.4
95.08541	25.2
97.06450	15.8
98.97510	17.8
100.35794	3.1
105.06973	34.4
107.08542	21.1
110.38152	3.3
115.53754	3.3
116.98564	21.5
116.99310	3.0
117.03319	18.9
117.06947	27.4
119.08527	4.4
119.12308	4.2
121.06496	3.6
121.10120	4.6
131.06789	3.5
131.08499	43.8
133.10107	37.3
134.99599	29.6
135.08047	5.8
135.11674	5.3
145.02879	5.9
149.09697	5.1
149.13240	18.3
153.00717	5.6
159.11674	37.2
160.12134	3.1
164.02715	3.1
166.81476	4.1
177.12709	100.0
178.08563	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
60.58178	2.0
66.06584	2.2
67.05429	3.3
70.98009	2.3
79.05389	5.3
85.51690	2.1
88.02131	9.8
91.05406	30.5
93.06976	4.8
103.05378	3.0
105.06986	28.7
107.08553	9.7
109.10086	4.2
117.06975	3.6
119.08539	76.7
121.10132	3.0
122.07195	4.7
133.10089	30.6
134.10884	13.0
135.07996	18.1
136.06247	6.9
137.09595	69.6
144.09312	4.3
147.08047	4.2
147.09126	3.6
149.09634	5.3
149.13231	15.5
161.09544	23.5
177.12706	100.0
177.14307	4.8
178.15804	4.4
195.34505	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	182.081
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
50.71215	0.6
51.43534	0.6
54.70206	0.6
59.39894	0.7
78.29382	0.7
91.05401	61.7
92.05762	1.1
95.04895	25.6
97.24746	0.9
103.05379	1.5
107.04897	3.9
109.06470	1.3
118.06453	1.5
119.04890	61.6
121.06371	1.0
123.04375	58.9
135.22090	0.7
136.07549	100.0
137.07858	0.9
147.04407	15.1
165.05420	23.1
182.08060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04940	0.7
63.03936	0.5
65.03834	0.6
69.03326	1.4
83.04910	0.8
83.21620	0.6
91.05397	59.2
95.04887	25.4
103.05423	1.5
107.04865	1.5
109.06467	1.4
118.06487	2.7
119.04886	52.9
123.04372	68.0
124.04695	1.1
124.83649	0.6
136.07544	100.0
137.07837	0.9
147.04359	16.4
165.05423	26.8
182.08064	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	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.05444	6.5
56.96496	7.1
57.07003	2.8
58.02900	46.5
67.05429	30.1
69.06983	78.7
70.06537	3.6
79.05403	11.5
81.06981	32.4
83.08536	5.2
84.08070	6.0
93.06963	16.3
95.08558	4.2
97.06462	2.6
98.97534	20.8
99.97850	13.5
100.07488	3.7
105.06963	14.7
107.08550	24.1
109.10101	48.3
114.09125	15.0
116.98544	29.6
117.98913	7.0
123.11655	4.5
126.09143	17.1
133.10081	28.6
134.99638	14.5
135.11665	29.7
136.00021	4.8
138.12749	24.1
151.11169	4.4
153.12776	10.5
160.83453	3.2
182.15361	100.0
190.51990	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	184.0604
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
56.71009	0.5
63.09739	0.5
63.35059	0.5
63.48597	0.5
64.87421	0.6
65.03851	2.6
67.21436	0.6
73.08987	0.5
82.06511	0.8
92.04929	1.1
110.05939	0.7
119.01884	7.2
120.04382	1.3
137.02911	3.9
138.05466	7.3
148.03906	100.0
149.01653	0.6
166.04959	84.0
184.06000	10.0
202.10051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81277	11.1
63.56840	10.9
68.99924	12.5
73.69704	10.4
73.96722	10.7
74.28358	11.0
79.68633	13.1
84.83995	11.8
86.09615	92.0
102.96786	11.2
109.02796	12.2
113.86153	11.1
113.96194	14.3
120.97858	23.4
124.09001	12.4
124.99937	100.0
137.02893	14.8
138.98918	26.3
168.24681	13.3
184.07387	60.9
200.32753	12.7
204.49474	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	184.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	0.8
56.96492	3.9
57.03361	0.7
59.72816	0.6
60.95788	7.0
64.33075	0.7
67.05410	1.8
68.04931	1.0
68.42116	0.7
69.03332	1.6
69.06973	1.0
79.05424	3.2
81.05688	1.2
81.06951	1.8
81.84027	0.8
82.06490	3.5
90.92936	0.8
93.06967	4.7
95.08550	3.5
96.04412	1.8
96.08060	7.1
97.05180	1.3
101.00795	3.6
101.94949	3.6
102.96798	6.2
106.06551	1.2
107.43800	0.8
110.05975	10.1
110.09578	3.9
114.81344	0.8
119.01871	47.1
119.96017	3.4
119.98196	1.6
120.01969	3.9
120.08050	1.7
120.97858	7.5
121.06436	1.8
122.09617	1.6
123.06744	1.1
123.08004	1.4
124.07547	100.0
136.53424	0.8
137.02917	35.3
137.97076	1.9
137.99220	1.6
138.02989	3.4
138.09117	24.8
138.98917	11.8
142.03485	7.8
143.03558	1.5
149.05927	1.6
155.98148	1.2
156.99931	3.4
160.04512	5.1
161.02832	0.9
162.00508	1.0
166.08588	13.7
179.03932	3.9
184.09651	23.6
192.86774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	1.7
55.05452	100.0
56.96494	3.1
57.03365	1.8
57.06734	3.0
57.07014	71.4
57.07292	3.8
60.95785	24.1
61.45219	1.8
62.22758	1.7
62.31482	1.5
69.03308	1.8
69.06995	2.3
70.03677	2.4
70.06527	1.7
80.08133	1.5
80.33546	1.5
83.08545	38.0
84.96528	1.7
85.06467	44.8
86.09613	1.9
91.59280	1.8
100.11185	96.3
101.00841	3.9
101.94968	28.4
101.97138	4.5
102.09102	29.3
102.96805	42.4
111.31492	2.0
114.09084	3.8
115.47094	1.8
119.01876	55.7
119.96022	19.7
119.98186	3.2
120.01997	8.8
120.97856	54.3
121.01640	2.1
137.02934	41.7
137.97083	16.0
137.99254	4.0
138.03032	2.9
138.98918	67.8
139.01788	4.2
142.03471	4.6
143.03590	7.9
144.03258	2.7
155.98111	7.6
156.99997	23.4
160.04539	2.4
161.04622	3.2
162.00465	3.4
167.05278	2.0
170.49910	1.9
179.03990	3.4
184.09642	2.2
184.11172	2.3
184.16975	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	184.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21980	1.4
53.00238	3.8
55.05446	3.9
56.96487	7.4
57.07013	60.3
57.08868	1.6
58.75952	1.2
60.95061	2.2
60.95782	32.9
69.06998	2.6
71.95172	2.7
78.90524	1.6
85.10102	78.3
97.00701	1.9
100.07530	9.9
101.00797	3.2
101.94968	38.8
101.97109	2.6
102.96807	42.1
110.06002	1.8
119.01878	61.5
119.96017	24.0
119.98079	1.9
120.01926	13.9
120.97858	60.0
121.01557	2.2
130.91789	1.7
137.02928	49.7
137.97060	27.8
137.99120	2.3
137.99840	8.0
138.03012	8.9
138.98907	91.3
139.01775	7.2
142.03468	10.4
143.03484	3.7
155.98151	22.5
156.00261	2.0
156.99965	33.7
159.14423	1.8
160.04514	10.2
160.98584	2.2
161.02936	2.5
161.04611	7.5
162.00494	7.8
162.04169	1.8
166.05019	1.7
177.82701	1.6
178.99821	2.1
179.03909	6.7
179.05528	2.9
180.01703	1.7
184.09619	2.7
184.16927	100.0
185.17343	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	186.0429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28206	0.3
65.06953	0.2
72.04167	0.2
79.75584	0.3
82.94757	0.5
101.00837	0.6
103.00568	10.1
103.01226	0.6
119.01875	4.9
120.01942	3.9
121.01619	100.0
121.02302	4.3
122.02026	0.6
126.93720	0.4
135.19740	0.3
135.34224	0.3
137.02916	2.2
138.03032	2.2
139.02666	53.6
141.09438	0.3
141.92300	0.3
143.03477	0.3
144.03204	11.9
145.03511	1.6
162.04236	6.1
162.95859	0.4
163.02687	1.6
163.04544	2.1
181.03716	9.1
185.97353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	1.2
55.05457	1.9
56.96504	10.9
57.03360	2.8
57.06777	2.0
57.07015	31.8
60.95774	2.0
66.73766	1.3
69.03344	1.5
74.05977	7.5
76.16461	1.3
84.04428	10.7
84.08084	1.7
85.02833	14.2
85.06477	7.3
85.10137	1.3
88.02110	1.3
90.01446	1.5
91.05368	1.6
94.65597	1.3
99.04402	1.6
100.07510	1.8
102.09119	75.0
102.12756	1.9
102.96787	2.0
103.97208	1.8
104.99217	8.9
112.07546	1.8
114.05474	14.1
117.53706	1.3
120.97858	5.5
121.01572	5.5
121.78865	1.3
121.98203	2.1
126.05486	18.1
127.03853	1.6
128.97736	2.3
137.98320	12.4
138.98923	6.2
139.01779	5.9
139.02722	1.8
139.99376	2.3
140.07027	2.3
144.06505	1.9
146.14952	1.3
163.01808	1.5
168.10086	1.8
181.02840	7.1
186.07584	6.0
186.11308	6.1
186.18513	100.0
192.25441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	0.5
55.05436	0.9
56.96501	0.8
57.03370	0.7
57.06742	0.7
57.07014	15.9
60.95792	0.4
67.05409	1.0
68.25478	0.4
71.08549	10.3
72.04430	5.7
76.27621	0.4
81.06953	2.0
84.04424	3.4
85.02838	3.9
85.10120	0.7
88.02174	0.5
96.31921	0.5
98.06001	0.6
99.04408	0.7
102.09123	4.5
102.96771	0.6
103.97157	0.5
104.99192	3.3
108.04433	0.5
112.07557	0.5
114.05477	3.6
116.10689	7.1
120.97887	1.0
121.01621	1.8
121.98228	0.5
126.05470	3.3
126.09116	0.7
126.17659	0.5
130.12248	1.8
137.98314	1.7
138.98912	0.8
139.01752	0.9
139.02731	0.8
139.99315	0.5
143.26920	0.4
144.06577	0.6
181.02890	0.9
186.07620	0.6
186.18506	100.0
187.18864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99567	1.4
53.40638	1.5
56.96511	1.8
57.06739	3.4
57.07010	100.0
70.32921	2.3
71.08547	44.2
84.04423	3.7
84.88159	2.0
85.10100	9.7
91.70984	1.9
97.02650	1.9
104.27019	1.7
104.99194	3.7
114.05479	3.0
121.00748	2.1
126.05461	4.5
186.18497	2.5
186.22136	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	187.1076
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
55.05448	1.5
56.04963	1.3
56.96498	4.4
58.67814	0.7
60.04450	1.0
63.36213	0.7
65.64291	0.6
67.05405	0.8
69.03336	0.6
70.06507	63.1
70.82175	0.6
72.61531	0.6
74.02349	5.0
75.68710	0.6
75.88292	0.6
82.06495	25.7
84.04414	3.2
85.02846	1.2
85.55123	0.7
88.02122	1.2
88.03905	1.3
92.10886	0.8
92.63898	0.9
99.09179	1.2
100.03905	1.3
112.22401	0.7
112.99966	8.5
116.07037	100.0
123.09151	1.2
124.07561	3.5
128.07019	3.2
141.10226	4.9
142.08641	2.9
170.08128	1.2
187.05685	1.1
187.10754	10.9
187.12360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1076
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
51.84605	0.9
54.81883	1.6
55.01814	13.9
55.05446	13.5
56.96495	12.4
57.03359	2.5
59.59273	1.1
67.05421	5.6
69.03345	2.1
70.06490	2.1
71.04888	1.6
72.08060	3.1
79.05396	5.6
81.03354	1.3
81.06973	43.1
82.06477	1.6
83.08533	24.1
83.97554	1.7
84.04425	1.8
84.08060	1.7
85.06457	6.7
86.09617	1.5
88.02129	7.3
91.05444	1.3
95.08538	2.8
98.09615	36.7
98.97502	1.8
104.99218	8.3
108.08049	4.8
109.06451	6.7
112.99960	31.7
113.07099	1.8
123.08009	2.1
124.07558	1.6
126.09110	50.8
134.99614	1.6
137.98329	2.0
139.01787	9.4
139.02731	2.2
140.02100	2.2
141.10226	1.8
151.08627	9.4
163.97627	1.6
164.02141	2.8
169.09683	100.0
181.02884	6.2
181.98686	2.0
182.01819	1.3
182.03145	11.0
187.08739	2.9
187.10756	14.4
187.12396	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
73.74942	1.0
76.95255	1.1
91.05416	6.1
115.05424	7.8
117.05692	1.8
117.06973	6.9
118.06491	100.0
119.06870	1.2
128.28328	1.0
130.40407	1.0
132.08069	1.2
137.22029	1.0
142.06506	6.1
143.07271	20.2
144.08070	26.7
145.06470	1.3
146.05992	84.9
160.07503	1.2
170.05936	9.5
188.07030	21.2
193.91864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96717	0.6
78.05389	0.6
91.05413	6.0
94.43040	0.6
97.07810	0.7
115.05402	11.2
117.05675	2.6
117.06973	7.4
118.06494	100.0
132.08063	1.4
142.06496	9.1
143.07280	21.4
144.08070	24.4
145.06410	1.1
146.05991	96.4
159.95535	0.7
160.07576	0.9
168.18221	0.7
170.06018	9.9
188.07053	21.7
193.88823	0.7
204.87952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04966	0.9
84.04396	1.6
92.10949	2.4
101.88705	1.0
106.96493	1.2
139.01660	1.1
142.98599	1.1
144.08089	2.4
145.08847	100.0
152.61023	1.0
160.11203	5.7
173.08327	91.1
188.10666	99.4
189.10992	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	189.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96507	35.7
57.03386	1.1
61.90584	1.0
62.18229	1.0
70.06502	7.8
71.95187	1.5
72.08081	2.6
74.07142	1.3
83.42395	1.0
84.04426	4.7
84.08060	12.1
86.09629	2.2
98.97515	100.0
116.07043	1.6
116.98569	97.9
126.09098	2.4
130.04929	1.3
134.99623	70.6
147.03284	2.8
153.00673	13.1
157.13170	1.3
165.04320	2.4
189.04193	1.5
207.05347	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49788	2.1
55.05442	4.2
56.96488	14.4
64.95481	2.4
65.00703	2.3
67.10052	2.5
68.20681	2.3
69.03330	4.8
72.11539	2.1
74.96415	2.1
79.05382	3.6
79.57215	2.6
81.06985	3.9
83.04893	2.8
83.08491	2.8
84.04431	19.4
84.08063	33.9
89.47755	2.5
91.05392	15.0
93.06947	4.2
94.54647	2.8
97.10109	2.6
101.37137	2.5
105.06966	36.1
106.96516	4.0
107.08554	4.0
109.10132	2.5
111.15773	2.5
115.05376	2.8
116.88335	2.7
117.06961	6.2
119.08543	40.5
124.97566	4.9
126.09109	10.6
128.06165	10.5
128.80879	2.4
129.06917	4.2
130.04968	6.1
130.07726	11.0
130.08643	3.0
131.08540	14.6
133.06506	2.8
133.10083	6.1
138.67250	2.5
141.06958	17.3
142.98596	15.7
143.08551	5.9
144.09357	2.8
145.06483	2.9
145.10107	28.7
147.08026	5.9
147.11671	26.4
152.96516	3.2
156.09315	84.6
159.08011	13.1
159.11665	14.4
160.99812	3.2
170.97475	4.8
171.11649	64.6
174.10341	10.5
189.10045	4.1
189.12695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1345
Annotation	L-NMMA
Peak:m/z	Relative Intensity
51.40741	0.5
56.29766	0.6
57.04493	10.0
60.08091	2.8
70.06510	100.0
71.04886	2.5
72.08073	6.5
74.07115	25.2
82.30434	0.6
84.08071	18.7
85.92414	0.7
88.07558	0.8
108.83930	0.7
115.08652	4.1
116.07044	26.4
116.49419	0.6
117.33172	0.7
122.77923	0.7
124.33007	0.6
126.10227	1.1
130.08586	3.6
133.09737	1.4
141.67633	0.7
144.11322	11.7
158.09207	3.5
172.10785	4.4
189.13434	23.4
189.15979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0498
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
51.99758	0.2
56.96497	1.0
69.34698	0.2
72.08060	0.3
72.84045	0.2
72.93702	0.3
73.14314	0.2
81.08950	0.3
89.03816	0.5
90.94704	0.3
108.39336	0.2
116.04937	3.4
121.02795	0.3
134.05946	0.5
144.04475	0.3
149.01167	0.5
152.17390	0.2
162.05466	100.0
163.05836	0.5
180.28087	0.2
190.04948	20.1
197.32147	0.3
203.05704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49888	0.2
55.79328	0.2
56.96499	1.2
57.07001	0.2
57.38497	0.2
64.81197	0.2
64.86830	0.2
72.08064	0.3
72.93694	0.3
76.00832	0.2
76.56441	0.2
77.39201	0.2
89.03835	1.6
90.94723	0.4
98.97500	0.3
116.04939	3.8
134.06018	0.4
148.97365	0.4
149.01146	0.5
162.05463	100.0
190.04950	21.0
209.49117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0863
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
55.05445	4.3
56.96508	20.1
60.95770	7.1
70.06506	1.8
72.08067	38.6
72.93698	11.0
73.02818	3.0
75.60169	1.8
81.06995	1.8
84.04397	2.4
85.02852	1.7
90.94746	8.2
91.05398	7.1
98.97508	7.6
102.74302	1.7
103.05319	1.8
109.06461	2.2
113.80091	1.8
116.04904	7.4
116.98534	6.5
117.06963	8.8
118.06466	14.5
121.06466	2.1
126.06812	1.7
127.07472	3.5
128.04921	2.1
130.01959	1.9
130.06494	100.0
131.00110	2.9
131.07353	2.0
132.08034	2.6
134.99628	2.0
137.05861	2.0
143.07259	8.2
144.03334	3.1
144.04424	65.2
144.08052	73.6
144.10162	12.0
145.06451	2.8
146.05937	2.3
149.01172	8.3
162.05527	12.8
167.02214	12.2
167.97096	7.1
172.07571	13.9
190.04982	3.7
190.08548	2.6
194.42213	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52913	0.2
56.96494	0.5
58.99517	4.5
60.04437	0.4
61.01063	2.1
76.02138	8.9
76.03907	5.2
84.08065	0.3
86.98989	0.3
88.02134	100.0
88.03873	1.8
102.00171	0.2
116.01635	0.4
174.02214	2.2
191.04797	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	191.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03698	0.4
55.01805	1.0
55.05449	2.8
56.96502	34.8
57.00755	0.3
57.03358	0.7
62.06010	1.5
64.58472	0.3
65.03864	0.5
65.93810	0.4
67.05421	0.4
69.03342	2.1
70.06499	0.6
72.08045	0.4
72.93706	5.4
73.02827	1.6
74.97520	2.4
79.05412	0.7
79.49920	0.4
81.03310	0.8
81.06968	1.7
83.04912	0.5
83.08536	0.7
83.31933	0.4
84.04423	0.4
84.08051	0.5
84.95946	0.4
85.02820	2.0
85.06445	0.4
86.09611	0.7
87.04352	0.5
88.02129	5.9
89.42605	0.4
90.05473	0.5
90.94749	4.3
91.05386	2.8
95.04862	0.4
97.02812	2.0
98.02381	0.5
98.97507	9.2
100.99098	1.5
106.06496	3.8
107.04848	0.7
108.95816	2.5
109.06483	0.7
110.07070	0.8
112.07556	1.4
112.99088	0.9
113.96376	0.6
116.03448	0.6
116.98571	10.8
118.06495	6.3
119.00135	1.8
119.01885	0.6
124.07564	0.5
128.98573	0.9
130.08609	0.8
131.00131	5.1
131.97455	0.4
132.04437	0.5
132.95816	1.6
134.05980	22.2
134.99614	8.5
138.54106	0.6
144.04411	0.4
145.06471	0.5
145.07600	1.6
146.05988	29.1
146.99611	2.6
147.03261	0.6
148.11169	0.8
149.01196	23.2
149.96104	2.3
150.96808	3.7
153.00700	1.7
155.06041	1.6
156.06635	0.5
158.99631	0.9
160.03850	0.6
162.05466	100.0
167.02249	16.2
167.97142	4.1
172.02837	0.5
172.06287	0.8
173.04759	0.4
173.07063	14.2
174.05466	18.9
175.02727	0.4
177.00702	2.0
185.03299	0.6
189.00542	0.5
191.02225	2.0
191.05818	0.7
191.08115	8.7
191.15472	0.5
205.01323	0.7
209.03297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	0.7
56.04964	2.5
56.96500	8.4
57.03360	2.5
57.84297	0.4
58.99508	3.3
59.86376	0.4
60.04461	0.9
60.80441	0.5
61.01074	2.6
61.02840	0.5
62.05719	0.9
62.06017	19.9
64.71796	0.4
66.15182	0.4
68.04941	0.8
69.03336	2.0
70.06499	0.8
73.02823	2.9
74.05995	1.0
74.97523	0.7
76.02135	9.5
76.03916	5.5
78.83674	0.5
81.03333	0.7
84.04430	35.8
84.08070	1.1
85.02825	4.2
85.03947	0.7
86.06008	0.7
87.04401	0.7
88.02139	100.0
88.03909	3.0
97.02835	2.1
98.97527	5.8
110.01247	0.7
110.02362	0.5
116.98557	5.2
119.01853	1.1
127.03919	0.6
127.08622	2.0
128.02304	0.6
128.07043	13.8
128.98584	1.0
130.04976	3.5
131.00180	0.7
134.99622	3.5
146.02672	0.8
146.06026	1.2
146.99661	2.9
149.01205	3.4
149.02994	0.6
158.99751	0.5
161.02853	1.0
162.05476	0.7
165.00624	0.9
167.02220	3.7
171.67223	0.5
174.02234	2.2
174.07599	9.5
177.00746	0.8
189.00665	0.5
191.04794	3.7
191.10190	0.9
191.11745	0.7
192.12340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	0.7
56.04964	2.5
56.96500	8.4
57.03360	2.5
57.84297	0.4
58.99508	3.3
59.86376	0.4
60.04461	0.9
60.80441	0.5
61.01074	2.6
61.02840	0.5
62.05719	0.9
62.06017	19.9
64.71796	0.4
66.15182	0.4
68.04941	0.8
69.03336	2.0
70.06499	0.8
73.02823	2.9
74.05995	1.0
74.97523	0.7
76.02135	9.5
76.03916	5.5
78.83674	0.5
81.03333	0.7
84.04430	35.8
84.08070	1.1
85.02825	4.2
85.03947	0.7
86.06008	0.7
87.04401	0.7
88.02139	100.0
88.03909	3.0
97.02835	2.1
98.97527	5.8
110.01247	0.7
110.02362	0.5
116.98557	5.2
119.01853	1.1
127.03919	0.6
127.08622	2.0
128.02304	0.6
128.07043	13.8
128.98584	1.0
130.04976	3.5
131.00180	0.7
134.99622	3.5
146.02672	0.8
146.06026	1.2
146.99661	2.9
149.01205	3.4
149.02994	0.6
158.99751	0.5
161.02853	1.0
162.05476	0.7
165.00624	0.9
167.02220	3.7
171.67223	0.5
174.02234	2.2
174.07599	9.5
177.00746	0.8
189.00665	0.5
191.04794	3.7
191.10190	0.9
191.11745	0.7
192.12340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0655
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
55.40788	0.1
55.54037	0.1
55.61348	0.1
55.93867	0.1
72.53014	0.1
75.28448	0.1
78.91051	0.1
82.39418	0.1
90.15814	0.1
91.05393	0.4
108.48372	0.1
118.06495	1.3
128.04919	6.0
128.05873	0.2
132.04420	4.9
146.05995	100.0
147.06316	0.2
151.77341	0.1
173.70457	0.1
174.05476	3.5
192.06529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0654
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
54.81514	0.6
56.96492	0.6
57.11915	0.5
60.95785	0.8
64.33260	0.5
72.08069	1.3
77.02779	0.6
91.05402	0.8
92.10845	1.3
98.55636	0.5
102.58963	0.6
111.20992	0.6
117.05710	0.7
118.06498	4.4
128.04919	9.5
130.06523	1.2
130.60468	0.6
132.04427	10.6
146.05986	100.0
157.74773	0.6
162.81247	0.5
174.05486	9.5
192.06578	1.0
203.95940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0655
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
54.82083	0.3
55.05450	0.3
56.87191	0.3
56.96503	7.3
57.03379	0.3
69.06998	0.4
72.08054	1.7
72.93694	0.7
80.91125	0.3
81.06960	0.4
84.08039	0.3
86.09628	1.8
89.03831	0.4
90.94762	0.6
91.05392	1.5
93.77513	0.3
97.99126	0.4
105.06956	0.4
107.04883	0.4
108.71200	0.3
110.07099	2.1
116.00143	0.8
116.98557	0.4
117.03301	0.4
118.06479	3.3
119.04963	0.4
128.04933	9.2
132.03468	0.6
132.04420	7.3
132.95825	1.3
135.04391	2.1
146.05989	100.0
150.96863	3.9
159.06775	0.3
160.04999	3.1
163.03899	2.9
174.05482	6.2
174.09135	0.7
175.09486	1.5
182.59930	0.3
192.06425	0.8
192.07979	0.3
195.45332	0.4
202.91942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1017
Annotation	Dihydrobackebergine
Peak:m/z	Relative Intensity
51.25341	0.3
55.05429	0.3
56.96487	0.4
57.62646	0.2
58.32814	0.3
65.03850	0.4
72.04432	3.9
72.08071	1.3
80.69872	0.3
82.04420	0.3
91.05403	12.7
93.06963	0.4
95.04849	0.4
103.05386	0.6
105.07003	0.6
107.03777	0.3
118.06431	0.3
119.04894	41.9
121.06451	6.0
146.05989	4.6
147.04385	100.0
150.09106	0.4
150.96878	0.6
160.73051	0.3
190.58653	0.3
192.10153	20.3
214.48459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0342
Annotation	Citric acid
Peak:m/z	Relative Intensity
53.54395	0.1
53.74565	0.1
55.01594	0.1
55.01810	1.5
55.05436	0.4
56.04971	22.9
56.96489	0.3
57.03366	1.3
57.05296	0.4
58.03692	0.1
58.06530	0.2
58.99504	0.4
59.04944	1.2
60.08099	0.2
60.99100	0.2
61.01075	10.0
61.02845	0.8
62.01401	0.1
62.05999	0.2
62.11507	0.1
63.00647	0.3
68.04949	0.2
68.99706	9.7
69.03333	1.0
70.06499	0.9
72.08051	0.2
72.11349	0.1
73.01052	0.2
74.02333	0.3
74.05996	0.1
75.02618	0.2
76.03908	0.6
78.01728	1.2
79.05392	0.2
81.06983	0.2
84.04438	0.6
84.08031	0.2
85.01060	0.6
85.02821	1.1
86.05984	0.3
86.09599	0.3
86.98990	0.2
87.00745	2.0
87.02605	0.7
87.04376	0.3
88.02132	21.7
89.00531	0.2
89.01994	0.2
89.02464	0.8
90.01711	11.6
90.03658	1.3
94.03989	0.6
97.02819	2.1
98.09039	0.3
98.09618	3.5
98.97515	0.2
99.04396	0.4
99.09931	0.6
105.06979	0.2
110.07121	0.2
111.00749	5.7
113.02310	0.8
114.09119	0.2
115.00237	1.0
115.02118	1.2
116.10666	0.8
116.98566	0.2
119.01894	0.3
119.03500	1.3
128.10736	0.2
129.01790	14.9
130.04968	0.2
133.05049	0.2
133.06387	0.2
134.02629	0.4
136.06151	100.0
137.02870	0.2
137.04721	1.7
137.06589	4.3
139.00238	6.6
139.01801	0.2
146.11742	0.2
146.99529	0.2
147.02861	1.0
152.05649	0.2
156.13780	0.8
157.01283	4.9
157.14180	0.2
161.02632	0.3
170.06453	2.1
170.56676	0.3
174.14859	1.6
175.15170	0.4
176.03729	0.2
178.07205	0.2
192.12251	1.0
192.15929	1.9
193.04565	0.3
193.12540	0.2
193.16252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
50.38979	0.4
53.03883	1.1
55.01815	6.0
56.96495	0.9
62.24727	0.6
79.05406	13.2
81.34243	0.5
90.04623	1.1
91.05392	6.5
92.64010	0.8
95.04881	4.6
100.44669	0.6
102.80929	0.6
103.05398	19.0
104.38544	0.6
105.06971	100.0
115.05400	26.9
118.04108	15.0
131.04909	4.0
132.05653	1.0
133.06453	73.0
143.06000	6.0
146.99667	1.3
157.32259	0.6
161.05942	55.5
193.08488	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	193.0859
Annotation	(+)-Harzialactone A
Peak:m/z	Relative Intensity
50.52127	0.9
51.52741	0.9
52.18199	1.1
53.03876	2.7
55.01793	2.2
55.05437	7.5
56.96496	14.7
57.03363	6.3
57.07004	2.0
59.87589	1.1
64.31544	1.1
67.05408	8.8
69.03336	7.5
69.06979	1.8
71.04882	1.2
71.52025	1.1
79.05386	11.0
81.03330	2.4
81.06969	7.9
83.04884	6.6
85.02821	5.7
91.05400	47.1
93.06957	8.2
94.11009	1.2
95.04885	3.1
95.08506	6.4
97.02812	7.4
98.97495	2.4
103.05410	2.3
105.06970	58.7
107.08505	6.2
108.52441	1.3
109.02811	2.6
109.06460	6.9
109.10089	6.4
115.05408	1.6
116.98571	4.6
117.06991	1.4
118.04089	1.3
119.08533	24.7
121.06443	2.7
123.07996	3.0
123.97320	1.2
127.03885	1.3
128.02266	3.0
129.06931	1.5
131.08534	11.2
133.04736	1.5
133.06445	14.1
133.10088	100.0
134.99612	2.7
135.07991	2.5
137.09567	2.9
145.02820	1.5
146.06018	1.8
146.99603	5.5
147.06349	15.4
147.08020	9.4
147.11626	6.1
149.05980	1.4
151.03780	1.6
151.11185	2.4
160.08810	2.2
161.05910	8.3
163.03873	5.9
163.07506	7.1
165.09062	6.2
175.07552	1.7
175.11147	7.6
177.02179	11.4
177.05415	8.9
178.06204	2.9
193.04807	1.5
193.08556	70.8
193.10359	2.2
193.12152	9.9
195.03276	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	193.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52127	0.9
51.52741	0.9
52.18199	1.1
53.03876	2.7
55.01793	2.2
55.05437	7.5
56.96496	14.7
57.03363	6.3
57.07004	2.0
59.87589	1.1
64.31544	1.1
67.05408	8.8
69.03336	7.5
69.06979	1.8
71.04882	1.2
71.52025	1.1
79.05386	11.0
81.03330	2.4
81.06969	7.9
83.04884	6.6
85.02821	5.7
91.05400	47.1
93.06957	8.2
94.11009	1.2
95.04885	3.1
95.08506	6.4
97.02812	7.4
98.97495	2.4
103.05410	2.3
105.06970	58.7
107.08505	6.2
108.52441	1.3
109.02811	2.6
109.06460	6.9
109.10089	6.4
115.05408	1.6
116.98571	4.6
117.06991	1.4
118.04089	1.3
119.08533	24.7
121.06443	2.7
123.07996	3.0
123.97320	1.2
127.03885	1.3
128.02266	3.0
129.06931	1.5
131.08534	11.2
133.04736	1.5
133.06445	14.1
133.10088	100.0
134.99612	2.7
135.07991	2.5
137.09567	2.9
145.02820	1.5
146.06018	1.8
146.99603	5.5
147.06349	15.4
147.08020	9.4
147.11626	6.1
149.05980	1.4
151.03780	1.6
151.11185	2.4
160.08810	2.2
161.05910	8.3
163.03873	5.9
163.07506	7.1
165.09062	6.2
175.07552	1.7
175.11147	7.6
177.02179	11.4
177.05415	8.9
178.06204	2.9
193.04807	1.5
193.08556	70.8
193.10359	2.2
193.12152	9.9
195.03276	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	193.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	3.8
56.96490	1.0
57.03363	0.6
59.04933	3.1
62.60708	0.5
67.05435	3.1
69.06969	1.9
71.04914	0.4
74.63778	0.3
75.26128	0.4
79.05397	5.6
81.06953	3.1
83.04877	2.1
86.36086	0.4
91.05402	42.0
92.63705	0.5
93.06953	3.1
95.04885	2.5
103.05405	0.5
105.06970	45.2
106.07216	0.5
107.04893	0.6
107.08569	0.5
108.37838	0.4
109.06470	1.0
115.05385	0.9
117.06944	0.7
119.08530	4.8
128.49557	0.4
129.06941	0.5
130.42108	0.4
131.08517	10.8
133.06494	2.9
133.10091	100.0
137.05927	0.5
142.07710	0.6
147.11620	5.0
151.11165	0.7
161.05919	0.8
175.11070	3.6
188.77771	0.5
193.08517	0.6
193.12210	8.6
195.59808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Cuminyl acetate
Peak:m/z	Relative Intensity
52.25429	0.4
55.05452	4.7
55.34423	0.4
57.17527	0.4
67.05413	2.6
69.06987	0.6
71.04889	0.4
79.05405	4.1
79.86638	0.4
81.06959	1.0
83.04893	1.0
83.74483	0.5
90.38699	0.4
91.05404	34.5
92.10949	0.5
93.06960	3.1
95.03622	0.5
95.04892	2.3
103.05352	0.6
105.06971	40.9
110.05971	2.2
119.08538	3.3
131.08524	9.4
133.10091	100.0
137.05907	0.5
147.06300	2.0
147.11665	6.3
149.04784	0.7
151.11177	0.6
153.80791	0.5
166.04927	0.6
175.11121	3.4
193.12209	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	193.1224
Annotation	Cuminyl acetate
Peak:m/z	Relative Intensity
52.41323	0.3
54.35761	0.3
55.05462	4.5
56.96507	0.5
61.67501	0.3
61.96529	0.4
65.03841	0.4
65.89878	0.3
67.05414	1.8
69.07000	0.9
70.80845	0.4
71.04903	0.4
79.05423	5.8
81.06979	2.0
83.04897	1.7
91.05410	37.9
93.06973	3.1
94.37753	0.5
95.04884	1.4
103.05413	0.4
103.60072	0.4
105.06980	42.8
109.06460	0.5
119.08536	4.4
125.05971	0.5
129.05264	0.8
129.06941	0.6
131.08540	11.1
131.81058	0.4
133.10103	100.0
134.10458	0.9
137.05966	0.7
146.05980	1.8
146.93188	0.4
147.06345	20.1
147.11662	6.2
151.11137	0.7
157.10133	0.6
175.11127	3.4
193.12227	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	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03844	0.7
53.72212	0.6
55.90102	0.6
56.30461	0.6
56.96509	15.6
65.03854	0.9
71.95139	1.0
72.44871	0.7
79.05404	2.9
81.06971	1.0
82.01858	0.7
89.03312	1.5
89.03843	41.3
89.04388	1.6
89.05934	0.9
91.05406	6.8
93.07022	0.8
95.04894	3.1
98.77798	0.8
98.97512	8.7
103.05414	1.3
106.04097	3.7
107.04894	0.7
111.04367	1.3
116.98557	10.5
117.03336	81.9
118.03557	0.8
119.04897	3.4
121.06451	3.1
122.06000	1.1
124.05184	1.4
129.55106	0.8
134.03613	15.4
134.99632	18.2
135.04395	15.1
137.52174	0.9
145.02826	100.0
146.03259	0.9
147.04369	1.7
148.97325	4.6
149.01208	1.6
149.05971	39.6
149.10608	1.1
149.97112	2.9
150.05479	4.8
153.00676	5.4
162.03085	1.7
163.03885	11.3
167.02238	0.8
171.98961	1.3
177.05440	91.7
178.04904	1.0
179.06967	9.5
195.01752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
55.43494	0.4
56.96495	0.6
63.02317	0.8
71.95177	0.5
72.57667	0.6
78.04629	2.9
79.05400	1.0
89.03845	44.0
89.30704	0.5
91.05400	4.5
95.04895	1.1
98.97513	0.8
103.05428	2.4
106.04125	2.6
107.04910	4.0
111.04373	0.9
116.98560	0.7
117.03336	82.3
118.03658	0.7
121.06476	2.0
123.70663	0.5
124.05186	1.1
125.05947	0.9
134.03621	14.9
134.99644	1.2
135.04391	13.1
145.02835	100.0
146.03166	0.8
147.57820	0.5
149.01231	0.8
149.05965	34.9
150.06177	0.6
162.03107	4.9
163.03873	13.6
177.05449	82.1
178.05794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
67.42390	0.8
79.05389	1.0
81.64597	0.8
82.15155	0.8
89.03839	42.3
91.05423	3.8
95.04890	0.8
97.41119	0.8
103.05393	1.1
106.04109	2.2
111.04385	1.5
117.03329	87.9
121.06424	1.3
134.03621	14.5
135.04393	17.0
145.02827	100.0
149.05952	39.3
162.03108	1.7
163.03883	9.8
177.05441	89.4
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	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03873	0.7
55.05440	1.1
56.96504	2.6
67.05436	2.3
68.61416	0.7
69.06995	1.1
71.95155	1.0
78.04627	1.4
79.05417	5.2
81.06979	3.6
89.03835	39.0
91.05409	5.9
93.06983	5.9
95.04885	1.4
95.08549	1.5
96.08038	0.9
98.97502	1.4
103.05408	1.5
103.13105	0.7
105.06935	1.0
105.25987	0.6
106.04103	2.5
107.04882	2.5
107.08533	2.5
111.04439	0.8
116.98543	1.3
117.03324	77.2
118.03556	0.6
121.06429	2.7
124.05193	1.0
133.10062	0.7
134.03577	12.6
134.99629	2.7
135.04382	14.8
135.11639	1.2
145.02821	100.0
148.97278	0.9
149.01137	0.7
149.05957	32.6
149.97153	1.3
153.05402	0.8
162.03088	3.7
163.03868	10.8
171.98932	1.0
177.05426	83.2
177.12628	1.0
191.92346	0.8
195.06564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03882	1.5
55.05452	6.5
55.74186	0.7
56.96498	0.8
57.06772	0.8
57.07011	13.1
61.02842	3.1
64.33351	0.9
64.42233	0.6
67.05422	10.6
69.06989	11.5
71.04903	1.3
71.95162	1.2
79.05407	100.0
81.06964	9.0
83.04897	32.0
83.05402	1.0
83.08519	0.9
89.03877	1.0
91.05397	15.0
93.06969	80.5
95.04895	7.2
95.08538	6.2
97.06459	13.7
105.06964	3.4
107.04906	5.6
107.08533	29.9
109.06456	1.4
111.08015	0.9
117.03329	1.4
117.06965	0.9
121.06474	3.1
121.10080	1.4
125.05949	14.1
131.08507	1.1
133.10120	6.5
135.08102	0.8
135.11655	56.6
139.07550	6.4
145.02798	3.5
149.05992	0.8
149.13187	4.8
149.97212	1.7
153.12640	2.5
159.11642	1.0
163.03879	2.8
177.05434	1.6
177.12691	3.4
195.13789	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
55.01805	3.2
55.05447	23.2
57.03360	8.6
57.06992	1.6
67.05424	75.3
67.05785	2.6
69.06989	22.4
71.01263	1.8
71.04915	3.7
71.95171	2.1
79.04961	2.2
79.05405	50.3
81.03347	3.6
81.06973	100.0
83.04881	14.5
83.08528	8.0
91.05405	29.0
93.06969	53.8
95.04887	9.4
95.08527	25.5
97.06445	10.0
105.06975	10.8
107.08533	24.1
109.06503	1.7
109.10088	2.1
110.09312	1.6
111.08026	2.9
117.06979	7.5
119.08536	2.5
121.06445	2.2
121.10085	9.9
126.15111	1.4
131.08551	10.9
133.10121	14.6
133.63200	1.7
135.04359	2.3
135.11681	10.9
149.13289	10.8
159.11630	8.4
163.03864	10.3
177.05443	1.9
177.12634	1.9
181.91612	1.6
195.13794	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03888	2.1
55.01797	0.6
55.05452	5.6
57.07014	11.7
61.02852	3.1
64.33060	0.6
66.37505	0.6
67.05428	7.7
69.06989	8.1
71.41607	0.5
77.03820	0.6
79.05410	100.0
81.06976	10.2
83.04900	30.4
91.05405	12.5
93.06974	75.5
95.04916	6.4
95.08492	4.9
97.06465	11.6
105.06969	3.1
107.04906	5.4
107.08533	21.8
107.18472	0.6
111.07995	0.8
117.03316	1.0
117.06915	0.8
121.06490	1.1
121.10095	1.3
125.05948	12.4
125.55870	0.6
131.08501	0.9
133.10088	6.2
135.11658	48.1
139.07518	7.0
149.13252	3.1
153.12720	3.2
159.11652	1.1
177.12758	2.5
179.85292	0.6
195.13759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.60628	1.5
53.03876	3.3
55.01800	4.0
55.05223	2.1
55.05453	32.8
56.96497	3.1
57.03360	11.6
57.06997	3.4
67.05078	2.8
67.05424	74.5
69.06994	21.5
71.04900	4.1
71.95161	3.2
78.26004	1.6
79.05406	58.3
81.03345	26.9
81.06974	100.0
83.04891	18.6
83.08524	10.0
91.05405	40.1
93.06970	59.4
95.04891	8.1
95.08545	25.9
97.06439	12.1
105.06949	18.0
107.08538	26.1
111.08056	2.7
117.06966	11.5
121.06442	3.9
121.10087	7.8
129.20781	1.9
131.08531	12.2
133.10080	10.5
135.11658	10.6
145.58575	3.1
149.13210	10.7
149.97076	2.4
159.11626	8.2
163.03879	22.6
177.12732	7.2
195.13840	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03886	8.2
54.81465	1.8
55.01806	10.3
55.05449	30.9
55.98542	1.5
57.03108	1.3
57.03368	14.9
57.07022	2.3
60.35603	1.6
60.73853	1.5
60.98435	1.3
62.60783	1.5
67.05083	3.0
67.05430	80.0
69.06990	26.0
71.04903	4.1
79.05405	51.6
81.03341	29.9
81.06976	100.0
81.07448	4.2
83.04901	21.2
83.08528	10.0
85.06451	2.3
91.05401	46.6
91.07844	1.5
91.91953	1.6
92.10899	3.7
93.06974	57.1
95.04900	14.5
95.08533	28.3
97.06461	9.5
105.06974	16.8
107.08523	27.0
109.06455	2.8
109.10155	1.9
111.08040	6.7
114.69678	1.6
117.06949	12.0
119.08507	2.0
121.06503	5.6
121.10108	8.3
131.08531	12.9
133.10115	15.3
135.08032	2.7
135.11656	11.2
149.13268	12.9
151.11131	2.1
159.11627	8.1
177.12720	4.2
195.13768	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03872	5.4
55.01810	6.3
55.05462	34.7
56.96498	15.9
57.03371	14.4
57.07021	4.6
67.05429	76.7
69.06983	23.5
71.95177	38.2
75.69530	3.4
79.05408	71.0
79.31065	3.7
81.03336	21.8
81.06976	98.2
83.04906	26.5
83.08508	9.2
84.08047	4.3
87.99995	3.6
91.05418	45.1
92.10878	9.8
93.06969	54.9
95.04897	24.3
95.08523	39.7
97.06488	8.3
105.06974	18.1
107.08559	27.9
117.03369	6.8
121.06561	4.2
131.08479	5.1
133.02831	15.4
133.10106	18.7
135.04388	18.5
135.11688	6.3
145.02823	6.2
149.13271	6.7
149.97197	16.9
159.11697	6.3
163.03871	100.0
174.65675	4.1
177.05473	4.9
177.12753	3.7
195.13824	7.0
195.15605	4.7
206.30685	4.4
206.67480	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03865	3.1
55.01812	6.8
55.05456	26.6
57.03359	7.2
57.07004	2.9
62.71964	2.6
67.05431	73.5
68.96270	2.7
69.03303	2.8
69.06997	23.4
69.07300	2.9
79.05409	52.1
81.03345	28.7
81.06980	100.0
81.67922	3.1
83.04900	18.8
83.08533	6.4
86.84077	2.9
89.05926	11.6
91.05412	37.0
93.06965	52.8
95.04910	7.1
95.08548	25.2
97.06449	6.8
104.88665	3.1
105.06977	14.3
107.08527	25.2
115.26369	2.7
117.06943	6.8
121.06422	3.6
121.10059	4.4
131.08525	5.5
133.10078	14.7
135.11630	15.5
148.97343	12.6
149.13239	13.7
149.97221	5.5
159.11661	4.6
163.03928	10.6
177.12787	3.3
195.13794	5.8
212.83087	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.12994	2.6
50.56459	2.4
53.03880	5.3
55.01799	4.1
55.05450	39.0
56.96492	6.6
57.03363	5.5
67.05428	70.4
69.06966	18.4
70.36047	2.8
70.59258	2.8
70.82504	2.6
71.04924	3.2
71.95161	4.1
79.05402	51.7
81.03336	14.0
81.06973	100.0
83.04898	35.4
83.08528	12.4
91.05409	45.3
93.06969	69.7
95.04877	20.2
95.08535	31.0
97.06436	14.7
105.06952	16.7
107.08523	21.1
109.06458	3.2
110.28459	3.3
114.35845	3.4
117.06947	16.5
119.08476	4.0
121.10053	4.7
131.08501	16.8
133.10080	5.1
133.82817	3.4
135.11627	19.0
141.61646	2.8
149.13161	4.1
159.11664	14.2
163.03830	43.1
173.95380	3.1
177.05510	3.5
177.70367	3.0
195.13768	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.00244	0.8
53.03878	1.8
54.81610	0.6
55.05439	3.9
56.96487	1.3
57.06781	0.9
57.07014	15.3
61.02844	1.5
67.05420	8.6
69.06992	10.0
70.45172	0.6
71.04887	0.9
71.82587	0.6
71.95172	3.0
72.11322	0.7
74.44053	0.6
74.54053	0.7
79.05405	100.0
81.06973	11.3
83.04893	27.7
83.08544	1.1
85.06471	1.0
89.03833	16.0
91.05405	16.4
93.06969	76.3
95.04891	9.2
95.07968	0.7
95.08512	6.2
97.06450	16.5
98.97520	1.2
103.05380	1.1
105.04430	1.2
105.06964	3.3
106.04061	0.7
107.04887	6.2
107.08536	20.6
111.08043	0.9
116.98550	1.8
117.03323	36.0
117.06993	0.9
121.06446	4.1
121.10108	3.0
123.09058	1.0
125.05941	15.6
133.10077	6.5
134.03618	6.5
134.99603	3.4
135.04387	7.8
135.08026	1.2
135.11652	46.2
136.12000	0.8
139.07513	5.3
145.01704	1.6
145.02818	41.9
148.97342	1.8
149.05959	13.5
149.10626	0.8
149.13214	3.9
149.97145	3.2
153.00758	0.8
153.12666	3.0
159.11659	1.4
162.03072	1.1
163.00731	1.0
163.03865	6.0
167.02318	0.8
177.05432	36.6
177.12755	2.5
178.03163	4.9
192.96652	0.9
195.13770	1.6
195.15654	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.00240	0.6
53.03880	3.1
55.01808	0.9
55.05443	6.9
56.96495	3.0
57.07010	14.3
57.83408	0.5
61.02847	3.0
62.82450	0.6
66.92841	0.5
67.05425	9.2
67.27133	0.5
68.96245	0.5
69.06986	6.9
71.04875	0.5
71.95175	0.8
73.06465	4.6
73.19962	0.6
79.05405	100.0
80.04929	0.5
80.05740	0.8
81.06977	10.8
83.04898	27.6
89.03832	4.7
89.60307	0.5
91.05406	15.5
93.06969	72.1
95.04886	8.3
95.08537	5.4
97.06461	11.8
98.97508	0.9
105.03311	7.4
105.04456	1.3
105.06961	4.5
107.04877	4.2
107.08535	22.7
108.04421	0.8
109.06461	0.9
110.03625	4.8
111.07988	0.8
116.98563	2.8
117.03318	10.3
117.06975	1.4
119.08591	0.8
121.06465	2.9
121.10078	1.4
123.04369	3.6
125.05949	15.5
133.10080	6.9
134.03600	1.2
134.99612	3.8
135.04408	2.1
135.07996	1.2
135.11662	52.5
137.04694	9.9
139.07527	6.9
145.02803	11.7
148.97345	0.7
149.01167	1.2
149.05914	5.4
149.13280	5.2
149.97163	2.8
151.06961	1.0
153.00710	1.1
153.09058	0.7
153.12737	2.5
160.07512	0.6
163.03828	2.3
166.01285	0.7
172.98793	1.0
177.05434	14.2
177.12755	3.6
180.02844	0.9
181.03658	2.8
195.06494	0.8
195.13829	1.4
195.15671	0.8
196.06001	16.2
196.07698	1.0
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
60.41957	9.0
71.53282	9.2
85.91431	8.1
108.04427	22.8
129.23827	10.0
168.10152	100.0
196.09691	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	196.0604
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
51.56761	0.3
55.21646	0.3
56.96493	0.7
65.03860	0.3
65.24731	0.4
67.05424	0.7
69.96077	0.3
70.95772	0.6
71.16663	0.3
72.93692	0.6
91.05393	0.5
95.04893	14.8
107.03642	0.7
108.05656	0.4
108.12981	0.3
118.03618	0.5
121.50266	0.3
122.05983	12.7
123.04369	1.3
125.05925	0.6
131.96149	1.2
132.95816	0.7
135.03114	13.9
141.05460	4.0
146.03140	0.8
149.97243	3.2
150.05475	100.0
150.96841	3.5
151.05803	0.5
168.10139	0.6
172.98834	0.6
173.98482	1.6
178.04938	48.0
179.05266	0.4
196.09631	0.5
205.90549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0708
Annotation	Hemipyocyanin
Peak:m/z	Relative Intensity
59.25471	0.1
64.22418	0.1
68.36194	0.1
68.73017	0.1
70.95783	1.2
72.93691	0.6
88.96822	0.3
90.94720	0.1
91.05394	0.1
95.08469	0.1
111.98418	0.6
115.05410	0.3
129.99487	0.6
132.95830	1.2
142.06511	0.4
150.28737	0.1
150.96860	4.2
152.04858	0.1
155.97394	0.7
168.06824	0.1
168.97958	0.2
169.07558	1.4
170.05989	1.0
173.98425	1.6
179.05988	4.0
179.07487	0.2
197.07065	100.0
198.07355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.42779	0.4
55.01799	2.3
56.96495	2.8
57.07013	0.6
57.17712	0.4
57.20657	0.4
63.23213	0.4
65.03857	2.2
65.63179	0.4
67.05434	1.9
68.04873	0.5
70.50957	0.5
70.95774	7.8
71.01260	0.4
72.93698	5.3
73.02830	12.5
79.05399	0.6
81.97305	0.5
88.96828	2.9
90.94777	0.9
91.05399	3.4
91.79184	0.5
95.04888	3.4
100.35799	0.5
107.04832	0.5
107.08597	0.5
107.30608	0.5
108.02020	1.9
110.03604	2.5
111.04387	2.3
111.98398	5.1
113.45578	0.5
113.96414	0.5
117.03287	0.5
119.04903	2.5
125.05947	9.7
129.99478	4.2
130.06496	0.7
131.41086	0.5
132.95796	7.5
141.05435	6.8
149.05951	3.0
150.96867	25.4
151.03882	100.0
151.04988	10.0
151.07364	3.6
151.97153	0.5
155.97395	3.8
168.97916	1.1
173.98447	10.3
179.06995	11.8
197.08073	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	197.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02306	0.3
53.03880	3.7
54.81813	0.2
55.05452	0.4
56.96486	0.3
57.03361	0.9
64.33467	0.2
66.03900	0.2
67.05402	0.2
70.02857	0.2
70.95778	2.8
72.93712	1.6
75.07945	0.2
77.03838	0.8
79.05399	3.8
80.29777	0.2
81.07000	0.2
86.52123	0.2
88.96817	1.2
90.94751	0.2
93.48903	0.2
95.04893	12.0
105.03329	100.0
105.04469	2.8
106.03661	0.4
111.98406	1.3
113.96306	0.2
123.04370	2.2
126.09115	0.5
129.99457	1.0
132.95787	2.0
150.96844	8.4
154.08618	0.3
155.97401	1.0
168.97879	0.4
173.98418	3.3
179.06995	2.8
182.78720	0.2
199.59583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.05447	1.7
56.89309	0.9
59.04933	1.3
61.31546	0.9
67.05425	6.0
69.03339	1.3
69.06983	1.5
70.95773	5.6
72.93700	4.6
79.05408	9.3
81.06982	11.5
89.35654	0.9
91.05411	27.3
93.06977	29.8
93.57598	1.3
95.04895	10.6
95.08520	5.6
98.52015	1.0
105.06982	43.0
107.08540	85.9
109.06477	9.0
109.10105	6.9
111.98402	2.7
119.04881	2.4
119.08539	11.5
121.06436	6.3
121.10072	1.6
123.04393	1.4
123.11672	2.7
131.08542	4.9
132.95789	6.9
133.10101	96.6
135.08040	2.0
135.11664	53.3
137.05969	1.9
137.09589	4.1
143.08553	2.0
146.07320	2.0
150.96854	18.9
151.11145	6.0
161.09584	37.7
173.98508	6.4
179.10634	100.0
197.11702	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40359	0.6
51.79367	0.5
53.03880	0.6
55.01809	8.6
55.05453	5.7
56.96495	1.1
57.03371	11.1
57.07013	2.4
60.08083	4.2
61.02850	7.6
68.04941	0.6
69.03350	26.3
69.06979	3.3
70.06517	0.8
71.04918	1.1
71.08535	0.7
73.02838	7.0
79.05426	0.6
81.03328	3.6
83.08537	3.4
84.08086	0.7
85.02827	100.0
86.09638	0.8
87.04386	1.5
91.03865	2.7
95.06020	20.1
95.08549	1.5
97.02828	22.9
97.10088	1.6
98.97486	1.0
99.04374	9.8
101.02342	4.7
104.04328	0.7
109.02832	3.6
115.03854	2.6
120.08018	1.2
124.00303	0.6
126.09093	1.1
127.03868	39.0
129.46127	0.7
133.98454	0.7
138.26633	0.7
145.04939	25.1
152.10727	0.8
154.13342	1.3
157.28094	0.7
163.06006	8.7
178.83530	0.8
180.08662	1.0
198.18498	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40359	0.6
51.79367	0.5
53.03880	0.6
55.01809	8.6
55.05453	5.7
56.96495	1.1
57.03371	11.1
57.07013	2.4
60.08083	4.2
61.02850	7.6
68.04941	0.6
69.03350	26.3
69.06979	3.3
70.06517	0.8
71.04918	1.1
71.08535	0.7
73.02838	7.0
79.05426	0.6
81.03328	3.6
83.08537	3.4
84.08086	0.7
85.02827	100.0
86.09638	0.8
87.04386	1.5
91.03865	2.7
95.06020	20.1
95.08549	1.5
97.02828	22.9
97.10088	1.6
98.97486	1.0
99.04374	9.8
101.02342	4.7
104.04328	0.7
109.02832	3.6
115.03854	2.6
120.08018	1.2
124.00303	0.6
126.09093	1.1
127.03868	39.0
129.46127	0.7
133.98454	0.7
138.26633	0.7
145.04939	25.1
152.10727	0.8
154.13342	1.3
157.28094	0.7
163.06006	8.7
178.83530	0.8
180.08662	1.0
198.18498	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15757	0.4
60.08094	17.6
63.29419	0.4
68.04939	7.1
85.02792	0.5
86.89300	0.5
95.06014	100.0
96.06327	0.5
98.60075	0.4
111.05515	0.8
131.53867	0.5
153.96764	0.5
154.13354	15.4
156.97542	0.6
160.26442	0.5
167.50259	0.5
174.98540	2.6
198.12354	5.8
200.93062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1692
Annotation	Citronellyl acetate
Peak:m/z	Relative Intensity
52.96141	0.3
53.00254	0.4
55.05451	15.1
56.05772	0.4
56.68743	0.3
57.07002	1.5
57.93504	0.7
59.26828	0.3
67.05435	0.5
69.06987	100.0
69.21270	0.3
70.07364	0.4
71.04911	2.6
72.04417	0.4
73.28114	0.3
74.09625	2.6
75.94531	0.5
76.56831	0.3
83.08544	4.1
86.53309	0.4
92.10299	0.5
98.97515	3.5
111.11671	30.2
116.97178	8.4
116.98560	2.9
128.03857	0.3
131.99556	0.4
134.95914	0.6
134.99644	3.3
144.26585	0.3
152.96970	2.1
153.00708	0.7
170.98029	0.8
175.98462	3.3
199.17102	0.5
199.18761	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	199.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80648	0.8
54.37113	0.9
55.05445	10.7
56.96502	8.3
58.64642	0.7
60.63289	1.1
62.60765	1.1
64.33655	1.0
66.25805	1.0
66.44917	0.9
72.04427	17.2
74.09628	100.0
80.52094	0.9
83.08541	10.5
96.34958	1.0
98.97514	44.4
99.71294	1.1
100.07538	26.8
116.98563	40.4
134.99614	28.0
142.05727	1.1
153.00699	8.2
158.01195	2.4
176.02196	3.7
199.17876	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	201.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43687	6.7
56.04929	9.1
69.03328	12.4
69.84995	11.1
70.06510	73.7
72.08059	32.1
77.96544	9.2
84.04424	100.0
84.08062	19.0
85.04694	9.7
89.95345	9.9
94.61788	9.4
119.01859	10.0
137.02911	19.1
144.11388	9.5
164.67847	8.4
183.11205	12.4
191.54773	9.5
200.14017	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	202.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85450	0.2
52.81496	0.2
53.60015	0.2
82.99741	0.3
93.61588	0.2
96.61923	0.2
101.00809	8.6
119.01869	100.0
120.01957	1.3
121.02296	0.4
124.02436	0.3
137.02928	65.0
138.03006	0.4
142.03474	19.1
143.01755	0.3
160.04524	13.1
161.02925	5.3
178.05493	0.2
179.03973	28.5
180.04077	0.3
190.65057	0.3
202.05565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2165
Annotation	DDAO
Peak:m/z	Relative Intensity
53.00232	0.5
55.05445	0.7
55.97475	0.6
57.07010	39.3
58.06538	4.7
62.06013	20.4
68.98656	0.5
71.08543	9.3
77.47581	0.5
85.10092	7.4
86.40264	0.6
102.96810	1.2
109.69579	0.6
113.82458	0.6
119.01865	2.2
137.02942	1.1
184.20547	10.2
202.21623	100.0
203.22142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05430	0.3
56.96496	1.2
57.16934	0.2
60.04446	0.6
61.95616	0.2
67.05408	0.2
68.79945	0.2
71.50565	0.2
75.05743	0.2
76.86665	0.3
81.06957	0.3
84.04415	0.3
86.05963	0.4
91.05423	0.4
92.46247	0.2
93.07001	0.3
101.97047	0.2
102.96804	1.2
107.04075	0.3
110.06358	0.3
115.05439	0.7
115.87052	0.3
117.05697	0.4
117.06963	6.2
119.01852	0.3
120.87466	0.2
120.97861	1.9
128.06218	0.3
130.11086	0.3
132.08136	0.3
138.03023	0.3
138.98952	2.4
140.10655	0.3
143.07281	3.5
144.08067	100.0
145.06488	1.1
155.05956	1.0
156.99942	0.9
169.56351	0.3
186.09138	1.4
203.05286	0.4
203.08095	0.3
203.11832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85561	0.5
55.01819	0.6
55.05445	4.7
55.93457	2.8
56.96291	0.5
56.96505	9.4
57.03370	0.9
60.04190	1.0
60.04456	11.3
60.95781	1.0
61.02854	1.0
69.03339	3.0
69.06973	1.0
71.04935	0.7
73.02819	0.8
81.03294	0.8
81.06982	1.2
83.08527	1.2
83.38628	0.5
84.04435	1.3
85.02820	3.3
86.09624	100.0
88.02135	1.3
90.05490	1.2
96.04411	0.8
97.02811	4.7
98.97542	7.6
99.04366	0.9
101.00755	0.7
102.96806	8.0
109.06516	0.9
113.16830	0.7
116.98600	7.0
118.03461	3.0
119.01870	13.4
119.98183	1.0
120.01956	16.5
120.96471	2.6
120.97860	12.2
121.01619	6.2
121.96581	3.9
128.02290	0.8
128.95050	0.8
130.06494	3.3
132.10231	1.3
134.99599	8.5
137.02930	13.8
138.03009	20.9
138.98911	18.6
139.01793	2.6
139.02696	6.5
143.03607	4.4
146.96121	1.5
146.99651	0.7
147.04680	1.0
148.97656	1.1
153.00688	1.6
156.99959	8.0
157.07573	2.8
161.03056	1.3
161.04680	4.3
162.03094	1.1
162.04359	1.0
163.01743	2.9
173.04979	0.8
174.98518	0.9
177.00636	1.7
177.04166	1.4
179.03995	2.8
180.04108	8.1
181.02615	5.9
191.02390	0.7
191.05774	0.9
203.05321	4.8
203.13922	1.1
204.08589	1.0
207.01614	0.7
221.04855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1389
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
53.03880	0.3
54.81738	0.3
55.01814	0.6
55.05445	1.6
56.96492	2.6
56.98270	0.3
57.03366	1.7
57.05307	0.3
58.06520	1.7
60.04452	10.1
61.02841	0.9
69.03344	2.0
69.06983	13.6
70.06503	3.8
71.04908	0.5
71.48710	0.3
72.08064	1.4
73.02832	1.6
77.00792	0.4
79.05399	0.4
81.03365	0.4
83.08527	0.4
84.04427	0.8
84.08051	0.7
85.02824	3.0
86.05974	0.4
86.09621	100.0
87.04371	0.5
87.09949	0.4
90.05498	0.6
93.06973	0.5
96.04416	0.7
97.02814	3.6
98.05969	0.4
98.97493	2.8
99.04379	0.7
102.05460	0.6
102.96770	0.4
105.28862	0.3
109.02910	0.5
109.06463	0.4
112.11168	2.6
114.05492	1.6
116.07082	0.7
116.98568	1.7
119.01850	4.4
120.01923	2.8
120.97849	0.6
121.01630	0.7
121.96581	0.9
126.05462	0.7
127.03870	0.5
130.06499	2.3
131.01907	1.5
132.03439	0.4
132.04364	0.6
134.99661	0.7
137.02933	1.9
138.03078	2.2
138.98906	1.9
139.02646	0.8
143.03462	0.6
157.00063	0.4
157.07602	0.8
157.10529	0.4
158.11751	2.9
161.02885	3.0
173.02960	2.5
177.00731	0.7
180.04138	0.7
185.02864	0.7
191.05708	0.5
203.05313	5.4
203.08165	0.4
203.13928	2.0
204.08603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91689	0.2
56.96501	1.5
57.03363	0.3
60.04173	0.2
60.04455	6.3
60.95757	0.3
61.02843	0.3
62.92890	0.2
68.04948	0.6
69.03349	0.2
69.06976	0.2
70.06451	0.2
71.04895	0.2
78.95201	0.3
79.05392	0.2
81.03336	0.4
84.04453	1.4
85.02818	1.2
86.09141	0.2
86.09628	4.0
89.03814	1.2
91.05409	0.3
95.08527	0.2
96.04402	1.6
97.02809	1.3
97.99151	0.2
98.05981	0.3
99.04362	0.8
102.96797	1.1
110.06001	0.3
114.05476	0.8
116.04929	3.0
116.98534	0.3
119.04904	0.2
119.97822	0.7
120.97864	2.5
121.01614	0.9
121.96581	1.1
122.94122	0.2
123.08038	0.2
124.93127	0.2
126.05471	1.1
134.05965	0.9
134.99625	0.2
138.05467	1.8
138.98926	3.1
139.01785	0.7
139.02713	0.3
144.04362	0.3
144.06598	0.4
147.04395	1.2
156.99988	1.1
158.05984	0.2
158.11745	0.4
158.96300	0.2
162.05469	100.0
163.01741	0.3
163.05881	0.2
168.06548	0.2
168.39182	0.2
181.02806	1.5
188.48492	0.2
190.04956	8.8
204.06534	17.2
204.08447	0.7
204.13788	0.2
205.06886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0655
Annotation	Doryanine
Peak:m/z	Relative Intensity
53.06416	0.2
56.96476	0.5
60.04453	3.7
60.52545	0.2
60.81384	0.3
65.03858	0.6
66.06462	0.3
68.04935	0.5
75.49021	0.2
83.28024	0.3
84.04423	1.2
85.02804	0.4
89.03828	1.1
90.63081	0.3
96.04435	0.6
97.02815	0.6
102.96821	0.4
114.05483	0.4
116.04925	5.2
120.97821	1.4
121.96574	0.7
126.05447	0.9
138.98904	0.7
144.04419	100.0
144.75908	0.3
204.08676	0.5
219.10594	0.4
224.35744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.102
Annotation	Nigellimine
Peak:m/z	Relative Intensity
51.93857	0.3
53.03882	0.4
55.93451	0.4
56.04965	0.5
56.96506	4.8
57.03360	0.7
60.04456	22.0
60.95767	2.4
61.01089	0.5
61.02837	0.6
68.04942	1.9
69.03332	1.8
71.04890	0.5
72.04396	0.4
73.02815	1.6
75.61275	0.4
78.95185	0.9
81.03319	1.0
81.06959	0.6
84.04422	0.8
85.02829	4.5
87.04371	0.7
91.05399	2.4
96.04414	1.6
97.02828	4.7
98.97495	2.1
99.04364	2.2
102.96796	7.1
109.02818	0.6
114.05500	1.7
116.98566	2.2
119.01868	1.5
119.04895	11.4
119.97836	0.8
120.01966	0.4
120.97865	8.4
121.01616	8.2
121.96613	0.9
122.94180	0.5
126.05472	1.5
127.03910	0.7
133.01601	0.5
134.99638	1.8
138.03023	0.4
138.05486	0.5
138.98917	8.6
139.01779	4.0
139.02705	5.8
140.95212	0.4
144.03229	0.9
145.01735	0.6
146.06041	0.5
147.04388	100.0
148.04732	0.7
156.99973	2.3
158.96269	1.0
161.01215	0.8
161.02803	0.4
162.04309	0.8
163.01768	2.3
163.02904	0.7
177.04120	1.6
181.02681	9.5
181.06227	0.4
181.97905	1.5
186.03374	0.5
191.02290	1.7
204.08594	2.9
204.10185	37.0
209.03287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1381
Annotation	Crotamiton
Peak:m/z	Relative Intensity
53.65366	0.2
55.96289	0.3
57.07006	0.5
60.04438	1.7
60.13216	0.2
62.48910	0.2
65.23013	0.2
68.04939	0.3
69.45254	0.2
80.19575	0.2
84.04417	0.5
85.02806	0.6
96.04417	0.4
97.02836	0.3
107.04919	0.3
107.07315	0.4
114.05413	0.3
120.08041	0.6
126.05408	0.3
147.10416	0.3
148.07564	0.4
155.51558	0.3
174.09137	2.8
188.10654	15.9
189.11440	25.2
204.13797	100.0
205.14014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26451	0.9
56.04974	11.0
58.06541	1.0
58.99514	14.2
60.04449	4.4
61.36335	1.1
68.04952	1.6
69.03336	1.5
70.02877	1.2
75.02633	2.2
76.02131	6.0
76.03910	1.5
77.30589	1.0
78.76764	1.0
78.95200	5.5
84.04432	5.0
85.01049	100.0
86.79592	1.1
86.98980	5.7
87.02607	1.2
97.02816	1.6
102.03699	89.0
102.05474	39.7
106.04771	1.0
109.02810	1.6
112.30516	1.2
116.01624	15.5
119.97822	1.7
122.94159	2.6
127.56034	0.9
158.96312	1.1
162.02229	1.9
176.01486	1.0
181.02916	1.5
181.97789	2.3
188.03735	5.2
192.41000	1.2
205.06406	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	205.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32041	0.4
63.62254	0.5
74.02349	1.3
84.24493	0.5
91.05415	0.9
91.66350	0.5
115.05370	4.4
115.15446	0.5
117.05695	1.3
117.06982	3.7
118.06483	68.2
130.06499	4.6
132.08041	13.2
142.06470	5.6
143.07281	9.4
144.08060	24.6
145.06445	0.6
146.05977	100.0
159.09149	10.7
160.07542	2.4
165.71342	0.5
170.05969	10.5
175.67931	0.6
188.07022	54.7
204.56053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
53.44995	0.5
54.32570	0.4
62.23265	0.4
67.20976	0.5
74.02341	2.9
76.24353	0.4
91.05396	2.2
110.81252	0.5
115.05397	4.3
117.05652	1.1
117.06970	4.8
118.06491	61.8
130.06496	5.0
132.08063	12.8
142.06496	7.5
143.07295	11.4
144.04454	0.7
144.08061	22.3
146.05989	100.0
159.09160	8.6
160.07549	2.3
170.05968	7.5
188.07028	52.8
193.41774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.5
56.96494	0.5
57.06788	0.2
57.07018	2.4
60.52488	0.2
63.92867	0.3
78.95199	1.0
81.03326	0.2
87.04396	100.0
89.05949	1.0
92.10178	0.5
97.02811	0.5
109.02863	0.4
119.01880	2.3
119.97843	1.0
122.94203	0.4
125.15604	0.2
131.17857	0.2
137.02951	1.2
142.03485	1.0
147.04362	0.2
149.02316	1.0
158.96268	0.3
160.04535	1.2
163.96788	0.3
181.97812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00601	0.2
63.38890	0.1
63.92874	0.4
64.01580	0.2
65.92551	0.8
69.21644	0.1
76.56852	0.1
78.95186	1.0
80.94888	2.2
82.99728	1.1
83.93570	0.2
90.13005	0.2
92.64984	0.2
98.95935	0.2
99.82268	0.2
100.02409	0.9
101.00803	8.2
102.00944	0.2
118.03475	0.3
119.01875	100.0
119.97885	0.3
120.01969	1.4
120.98182	0.3
121.01595	2.3
121.02309	0.2
121.97515	2.4
122.01952	0.2
122.94130	0.7
123.02069	1.0
124.02386	2.6
124.47056	0.1
124.93884	1.6
137.02931	61.1
138.03072	1.0
139.02638	1.7
140.03154	0.2
140.05630	0.1
140.85379	0.2
140.95183	0.3
141.03110	0.6
142.03476	86.9
142.94942	0.4
143.03571	1.1
158.96281	0.6
160.04523	55.3
160.95988	2.4
161.02800	0.2
161.04668	0.8
164.04568	0.6
164.97147	0.2
165.05107	2.8
165.96506	1.2
179.03911	0.2
182.98186	0.6
183.04318	0.2
183.06029	1.2
183.97542	3.0
184.04648	0.2
187.84584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0812
Annotation	Indolelactate
Peak:m/z	Relative Intensity
55.05443	0.8
56.68888	0.5
56.96243	0.8
56.96503	13.8
61.92573	0.6
67.05424	0.9
72.04421	0.8
80.94892	0.8
88.02150	1.7
91.05415	3.3
98.97463	0.9
101.00819	0.9
105.06963	0.9
105.11973	0.7
115.05422	7.8
116.05244	1.5
117.05721	7.7
117.06960	3.1
118.06492	100.0
119.01877	22.4
123.96426	1.6
125.67162	0.7
128.00108	1.3
130.06494	99.0
131.07362	6.6
132.04382	1.2
132.07108	1.2
132.08054	26.6
134.99643	0.9
137.02939	18.7
137.98283	0.8
138.03825	0.7
142.03476	15.8
142.06511	10.9
143.07297	6.7
144.04443	1.1
144.08063	13.4
146.01193	1.3
146.05986	47.1
147.04396	4.9
147.06250	1.0
158.05974	1.3
158.15385	1.1
160.04675	16.0
160.07539	32.9
165.05170	1.1
170.05975	34.6
175.35074	0.9
188.07043	31.5
206.08047	17.9
206.17404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
53.48275	0.1
65.86063	0.1
68.76012	0.1
75.59551	0.1
91.05399	0.4
104.04915	0.2
118.06515	1.4
119.01889	1.2
128.04922	4.5
132.04424	4.2
132.05450	0.1
134.80994	0.1
137.02910	0.7
137.98325	0.1
141.52054	0.1
142.03465	1.2
146.05989	100.0
147.06335	0.6
151.96341	0.1
160.04497	0.5
174.05470	4.6
206.08055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
54.30235	1.7
55.01801	3.2
55.05448	11.1
56.04963	3.5
56.96502	3.1
59.04944	2.2
60.04448	7.4
60.20884	1.9
61.01113	2.1
62.04570	1.9
64.51603	1.7
67.05439	3.5
67.39735	1.9
70.02863	14.2
70.06535	1.9
71.04908	68.9
71.05275	3.8
72.04432	36.1
72.10612	1.7
73.02835	9.5
73.06463	3.1
74.02362	3.3
74.05975	3.0
74.17563	1.6
76.07550	2.2
81.03326	3.0
82.06496	29.6
83.04907	7.8
84.04510	2.0
85.02859	2.7
86.09598	1.6
88.02127	9.5
88.52739	1.7
89.02468	3.5
89.05975	10.6
90.05484	97.4
96.08063	2.1
98.02368	19.9
98.05962	4.0
98.97502	14.9
99.04389	84.8
100.03922	3.5
100.07546	8.9
101.05978	4.8
110.05993	100.0
116.03376	14.3
116.07040	3.2
116.98515	15.6
119.01875	2.7
121.56703	1.7
128.07047	34.4
128.76859	1.8
134.92476	1.9
134.99623	12.8
138.25496	2.3
142.03348	2.8
142.08615	12.4
146.08119	17.4
152.07039	26.6
159.33057	2.1
160.04208	2.3
160.09691	7.9
160.13341	12.5
162.05540	2.2
170.08076	43.1
188.09140	44.5
206.10236	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	206.1024
Annotation	Casuarine
Peak:m/z	Relative Intensity
53.03877	2.6
55.01802	12.0
55.05444	14.3
56.01338	2.9
56.96487	4.2
57.03363	2.0
59.04930	4.7
60.04443	12.3
60.77500	1.7
67.05413	2.4
69.03345	8.8
70.02874	43.1
71.04919	34.3
72.04435	52.4
72.08051	10.8
72.71539	2.5
73.02836	29.9
73.06456	12.6
74.02335	10.8
81.03330	3.8
82.06485	4.5
84.04418	3.2
85.06478	3.5
86.01413	3.8
89.05949	16.7
90.05484	100.0
94.01321	2.0
95.06535	2.4
98.02351	84.0
98.05994	5.0
98.97517	2.9
99.04400	36.5
100.03913	12.6
100.07551	17.8
102.03690	4.8
102.05484	3.3
103.04041	3.0
110.05995	24.4
116.01598	2.7
116.02602	2.8
116.03407	69.1
117.05450	4.3
119.01867	3.7
128.03377	2.7
128.07043	96.0
137.02887	3.5
142.03453	5.0
146.08073	11.1
160.04468	3.7
160.09671	10.5
168.65959	2.2
170.08096	56.8
172.76550	2.3
188.09154	81.2
198.12715	2.3
206.10219	22.0
229.44708	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98593	0.5
55.05450	2.3
55.11297	0.5
55.70127	0.5
56.96502	36.6
58.52911	0.6
61.02843	0.6
62.40679	0.5
65.92549	1.1
66.32216	0.6
69.03354	0.6
69.06991	1.5
70.06508	1.0
71.95181	0.9
73.02829	0.7
73.06461	1.3
79.05424	1.1
80.94868	3.9
81.06892	0.7
82.22412	0.6
83.93578	0.9
84.08060	1.0
85.02814	0.9
85.06465	9.3
98.97514	67.5
116.01643	0.8
116.10683	0.7
116.98573	92.0
121.97530	3.2
122.13737	0.6
124.93850	2.5
125.05978	0.9
129.02133	0.7
129.05380	0.8
134.10779	0.6
134.99626	100.0
140.00188	2.4
142.94937	1.0
147.03293	6.9
153.00688	30.8
155.04662	0.9
158.01158	2.3
160.95976	3.9
161.04691	1.0
162.05481	0.7
164.05156	2.9
165.04305	8.6
177.00598	1.0
183.05380	1.0
183.97557	3.8
189.04295	9.2
207.05367	33.1
222.99622	0.6
225.06369	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01812	1.4
55.05436	2.8
56.96499	5.1
57.06998	2.0
65.03867	1.3
67.05083	1.3
67.05430	39.7
69.03348	2.9
69.06979	1.8
79.05399	5.6
80.94874	5.8
81.06995	8.1
83.04897	2.1
85.02825	5.9
85.06454	6.9
88.72854	1.0
91.05410	25.5
92.10316	2.2
93.06970	15.0
95.04891	4.6
95.08536	100.0
103.05355	1.5
105.06966	15.8
107.04890	1.3
107.08540	10.5
109.06461	5.4
113.05950	1.6
117.06920	1.6
119.04905	14.8
119.08555	23.7
120.01959	1.4
121.10081	9.0
121.33450	1.2
121.97527	2.2
123.08024	26.9
123.11672	4.7
131.08514	4.9
133.06413	1.7
133.10081	2.7
134.26881	1.1
135.11650	2.4
139.01692	1.1
139.53427	1.0
141.06909	1.2
143.03578	2.2
147.04419	8.8
147.08037	6.5
147.11639	7.2
149.02293	4.9
149.09592	26.7
151.07513	2.1
156.09331	2.9
160.95964	2.0
161.04691	1.3
161.13264	7.1
165.12766	5.7
171.11653	2.5
174.10396	2.1
175.03836	6.4
183.97581	6.8
189.12692	11.6
207.06508	1.6
207.13728	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	208.0604
Annotation	2-Formaminobenzoylacetate
Peak:m/z	Relative Intensity
72.09392	0.2
72.33527	0.2
89.03838	0.2
91.05387	0.4
92.04939	0.3
106.06495	0.3
107.65549	0.2
116.04929	4.4
119.04881	1.3
124.38108	0.2
134.05977	6.8
144.04420	6.2
147.04379	3.1
147.71089	0.2
148.03896	3.1
162.05470	100.0
190.04968	2.9
208.06018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26008	0.2
55.18959	0.2
67.30128	0.2
92.04944	0.5
92.10888	0.5
92.24959	0.2
96.51381	0.2
106.06474	0.3
116.04926	3.8
134.05986	6.9
144.04433	6.1
148.03900	3.3
156.32407	0.2
162.05469	100.0
190.04921	2.5
208.06084	0.4
224.95961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0604
Annotation	2-Formaminobenzoylacetate
Peak:m/z	Relative Intensity
54.82017	3.3
56.96495	31.8
79.05391	5.9
81.24897	3.8
89.03820	15.0
91.05373	6.8
92.04935	5.7
92.05756	6.4
95.04915	5.8
95.67060	3.2
98.97448	3.8
105.07004	4.9
107.03701	4.9
107.04920	4.2
107.57870	4.6
109.05140	3.9
110.03643	24.7
116.98582	4.1
117.03342	5.8
119.03617	4.0
121.01631	18.9
122.02332	4.0
125.05954	4.7
131.00124	6.0
135.03114	20.7
135.04376	20.5
136.03929	21.5
137.04697	100.0
139.02711	14.1
142.98605	4.6
144.03201	14.3
145.02818	19.8
146.05957	7.8
149.01225	40.9
150.01787	7.0
150.05539	5.1
152.03374	6.1
162.04272	10.1
162.05473	44.5
163.02589	19.5
163.03882	67.0
164.03383	5.3
164.17125	3.7
165.04181	37.2
167.02209	32.7
168.02893	65.1
171.07208	3.7
178.04991	29.7
180.06546	76.2
183.05229	23.0
193.03662	28.8
208.06013	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	208.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96515	2.0
58.02901	13.7
60.04462	1.0
66.26855	0.4
73.44019	0.4
77.80989	0.4
79.05428	1.1
82.94757	0.6
89.03841	11.6
91.05399	6.4
92.22085	0.5
95.04901	0.6
98.97514	0.5
103.05431	0.7
106.04119	0.6
106.06490	1.1
106.08066	0.5
107.04906	3.0
111.49351	0.5
117.03329	46.3
119.04899	4.7
121.01625	1.0
122.25024	0.5
126.01036	0.6
130.06516	0.6
131.04922	0.9
134.03604	4.4
134.16121	0.5
135.04370	6.7
136.05165	6.3
139.02681	1.1
144.03268	0.8
145.02829	97.4
146.03246	0.6
146.05975	1.1
147.04385	0.7
148.07501	0.5
149.01262	0.8
149.05968	16.7
151.07501	4.7
162.03082	2.3
162.04272	0.9
162.05461	5.8
162.90860	0.5
163.03853	8.0
166.08664	0.4
177.05437	100.0
178.05711	0.5
186.05435	1.0
208.07756	1.0
208.09648	19.0
209.29482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03880	7.9
55.01810	15.4
55.05458	2.9
56.96497	6.6
57.03348	1.9
65.03857	14.9
67.05420	7.2
67.92438	3.0
69.03345	7.4
69.03726	1.6
69.06975	1.7
75.04377	9.1
78.04623	20.3
79.05392	12.0
81.03335	2.9
81.06962	1.8
82.94769	6.5
83.04864	2.7
85.02820	10.0
88.92944	1.6
88.98574	1.5
89.03838	7.5
91.04839	2.4
91.05404	59.1
93.03318	12.3
93.06970	19.8
95.04890	33.6
95.05879	1.9
95.08543	2.4
97.06460	8.8
103.05398	22.1
105.03347	2.0
105.04437	3.2
105.06989	2.9
106.04114	100.0
107.04878	7.7
107.08522	7.9
109.06447	11.0
109.10033	1.6
117.03358	3.0
119.04845	7.0
120.05626	2.7
121.06457	69.1
122.03658	1.8
123.04343	8.1
123.08015	3.4
123.97431	2.5
124.05159	2.6
125.05962	11.9
125.09578	2.9
126.93639	1.8
133.02872	2.3
134.03581	11.4
135.04385	3.6
135.08038	4.1
137.05948	21.1
138.06726	3.2
139.07518	3.6
145.02846	1.7
148.05150	8.9
149.05954	62.8
149.09665	1.9
151.03883	2.3
152.08276	2.1
153.05437	3.9
153.09045	13.8
162.95880	2.7
163.05948	2.3
163.07466	6.4
165.12685	1.7
166.06186	2.0
167.07054	2.3
177.05476	17.8
181.08560	10.7
185.97441	3.1
191.07025	7.0
191.14291	7.8
207.57629	1.7
209.08127	4.1
209.15277	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.34101	1.3
53.00239	2.1
53.03878	1.5
53.96669	1.6
55.01803	12.2
55.05450	10.0
56.96490	13.3
57.03351	2.6
58.64860	1.5
61.26872	1.7
65.03881	2.6
67.05421	13.0
67.92413	2.1
69.06990	18.2
71.04912	26.5
72.82746	1.7
79.05415	56.1
81.03330	2.5
81.06972	11.7
82.94751	9.7
83.04897	10.9
91.05402	39.8
92.10921	2.3
93.06977	41.7
95.04894	14.0
95.08545	3.3
95.73364	1.8
97.06462	9.5
103.05389	7.8
104.42995	2.1
105.06969	29.7
107.04904	21.8
107.08535	64.6
109.06486	7.7
110.07118	2.9
111.04395	2.2
116.06201	2.2
117.06952	10.9
119.08525	9.2
121.06446	32.3
121.10096	25.9
123.08032	7.7
123.97414	4.8
125.05964	9.3
125.09693	2.5
126.93736	2.6
129.06966	4.6
130.06502	3.1
130.07788	2.2
131.04895	2.4
131.08531	100.0
133.10052	2.5
135.11740	3.1
138.06590	2.0
139.07458	3.5
141.45395	1.9
144.94832	2.3
145.10095	33.8
147.08069	2.4
149.05957	7.3
149.09593	55.9
153.05453	8.1
162.95825	3.3
163.11102	16.0
167.10600	2.1
185.97342	6.2
189.47275	1.7
191.10594	15.0
209.11633	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03883	0.4
53.86728	0.4
55.01807	1.0
55.05438	2.0
56.96496	0.7
57.07011	4.9
59.04923	0.7
61.21138	0.4
67.05425	8.3
69.03333	1.6
69.06982	2.2
71.04915	4.6
72.39730	0.4
78.89651	0.4
79.05412	6.4
80.96094	0.5
81.06976	7.9
83.08511	0.6
84.36398	0.5
88.02319	0.5
91.05419	8.2
93.06973	7.3
95.04900	4.8
95.08529	6.8
95.66399	0.4
97.06448	1.0
104.44370	0.5
105.06996	6.2
106.04089	0.7
107.04913	0.5
107.08548	9.9
109.06471	100.0
109.10107	15.6
111.08038	2.9
115.05376	0.6
117.06969	2.7
119.08532	2.3
121.06461	1.7
121.10117	2.8
123.08025	7.7
123.97427	0.7
125.09548	0.6
126.93716	0.7
131.08536	8.3
133.10089	3.0
135.08022	26.3
136.08855	0.5
143.08556	0.8
145.10141	1.8
147.11658	0.7
149.05989	0.9
149.09627	2.3
149.13280	0.6
150.10399	1.7
151.11133	1.1
153.09109	1.0
157.07738	0.4
158.10864	2.0
161.09605	0.7
173.13237	4.9
177.05482	0.7
185.97551	0.6
191.14262	10.8
200.90395	0.5
209.15378	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	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	0.2
55.05460	0.3
56.96504	3.0
57.03373	2.6
60.94863	0.2
65.03860	1.1
65.08307	0.2
67.05412	1.0
69.06993	0.4
70.06507	1.7
71.04894	0.4
75.04388	1.0
75.31991	0.2
78.04636	0.2
79.05409	1.3
81.06985	0.7
83.04904	0.3
84.95963	0.4
86.09620	1.2
91.05403	100.0
92.05739	0.3
93.06965	1.3
95.04900	1.1
95.08535	0.2
98.05937	0.3
98.97511	0.3
103.05397	0.8
105.06977	1.4
107.08559	0.2
109.06487	0.3
109.10096	0.3
116.00172	0.3
119.08530	0.3
121.06449	1.0
123.04391	0.8
131.08524	0.3
133.10086	1.5
134.99635	0.3
137.05923	1.8
140.04636	0.4
144.69995	0.2
146.99655	0.3
147.11639	0.4
149.02315	1.6
149.03392	0.3
149.05984	1.0
151.03889	1.8
151.11169	0.4
154.07373	0.2
165.05457	0.2
166.06180	0.4
167.06996	5.2
174.09990	0.2
176.04637	0.8
181.08594	0.8
193.04967	0.3
193.08566	2.9
193.12225	0.2
197.73184	0.2
211.14424	1.1
216.55489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
51.31898	1.1
53.00257	1.3
53.03894	1.5
55.01791	2.0
55.05447	10.8
56.96499	15.6
57.03381	2.4
57.07005	3.2
57.38090	1.5
59.04920	2.8
67.05434	19.1
69.03340	6.4
69.06986	24.4
71.04919	5.9
76.91788	1.3
79.05396	16.2
79.10005	1.5
81.03336	1.7
81.06969	25.7
83.04897	9.5
85.02826	2.5
85.06439	7.8
88.87929	1.4
91.05405	52.2
93.06962	23.6
95.04892	19.5
95.08543	7.7
97.02823	6.7
97.06448	2.5
98.97494	2.2
103.05382	1.9
105.06968	48.6
107.08553	8.1
109.05706	2.1
109.06458	28.3
109.10117	11.7
114.78061	1.4
116.98496	1.6
117.03367	1.8
119.01888	6.4
119.08536	12.3
121.06491	2.2
121.10071	1.9
123.04353	1.7
123.08020	1.8
123.11662	2.9
125.05901	1.5
127.07479	1.9
131.01808	1.9
131.08548	8.4
133.10089	100.0
136.53433	1.8
136.60440	1.7
137.02916	2.0
137.05933	3.6
147.11659	21.1
149.05939	2.0
150.05499	9.8
151.07468	3.0
151.11147	45.4
155.06982	9.9
161.02945	3.0
165.12709	3.1
167.06995	7.8
173.02893	2.4
175.11101	6.3
178.04956	12.5
193.12167	14.3
211.13225	17.8
211.26442	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0552
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
53.03891	0.6
55.01798	0.7
56.96490	2.8
57.03370	0.8
61.02837	0.8
65.03855	6.6
67.04165	4.1
67.05412	4.1
69.06974	0.8
78.03337	1.1
81.07003	1.0
82.06487	1.3
85.02812	2.6
91.05399	1.3
93.06992	0.9
95.03636	22.6
95.04892	57.3
97.02802	1.4
98.03593	0.7
98.97503	1.6
105.06963	1.1
106.02848	3.4
106.07276	0.8
107.03627	11.7
109.06479	0.9
110.05988	100.0
111.04364	1.0
116.98529	1.6
119.04836	0.7
120.04389	3.0
122.05975	20.3
123.04378	16.9
127.79192	0.7
128.02214	0.7
128.98566	1.0
130.06508	1.2
133.10065	3.1
134.02328	3.8
134.10391	1.5
134.99628	0.9
138.05463	18.0
141.05463	2.9
146.99652	0.9
147.04398	1.4
148.97319	3.3
149.04695	23.7
150.01833	2.7
151.02631	17.4
151.11168	1.0
160.94450	0.7
165.04205	3.0
166.04958	88.7
167.05640	1.1
169.03700	0.8
177.00732	0.6
194.04446	52.0
212.13737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0917
Annotation	Methyldopa anhydrous
Peak:m/z	Relative Intensity
54.52338	1.7
55.01804	2.6
55.05446	3.3
56.96499	21.0
57.03361	10.2
60.34986	1.4
61.01064	2.8
61.02843	8.4
65.03854	9.3
69.03340	10.4
70.06502	2.3
73.02814	7.6
73.06469	3.4
79.05406	7.4
81.03346	2.6
82.75574	1.8
85.02823	22.4
88.02615	1.9
91.03869	2.2
91.05392	15.5
93.03318	18.0
97.02831	17.7
98.97517	34.4
103.05426	1.8
103.99894	1.9
105.01950	1.7
106.06505	21.9
107.04863	4.3
110.01230	2.9
110.03603	3.0
110.97511	9.1
111.03689	3.0
111.04389	51.0
111.05081	3.6
116.98578	21.9
118.73343	1.7
119.01750	3.9
119.04910	2.6
120.07942	1.9
121.06456	30.4
123.04305	2.4
124.40717	1.8
125.05958	59.7
125.07016	8.8
127.03896	2.2
128.98602	20.2
134.05984	52.0
134.99596	8.7
135.04321	1.8
135.06792	2.2
137.05931	2.8
146.99693	14.9
149.05951	100.0
151.06213	3.4
152.07016	14.8
153.05434	88.9
153.06656	3.4
158.99605	8.2
161.01199	3.0
162.05324	1.9
164.05110	3.4
165.04405	1.7
166.08594	86.4
170.99623	7.2
176.07068	2.6
177.00627	9.9
177.05440	3.9
184.09601	4.2
189.00688	14.9
194.08092	32.2
195.06380	31.4
207.01672	7.4
212.09171	19.1
219.01654	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	213.1233
Annotation	Pro-Pro
Peak:m/z	Relative Intensity
50.57793	0.3
53.70448	0.2
54.49210	0.3
54.81557	0.3
55.05450	0.3
56.04966	1.3
56.96497	0.5
57.03366	0.3
67.62874	0.3
69.03338	0.5
70.06505	100.0
84.08057	0.6
90.22345	0.4
93.26292	0.3
97.59593	0.3
98.05994	0.5
110.07111	0.6
116.07035	10.7
116.98543	0.6
136.06155	4.2
152.05656	2.2
158.49255	0.3
170.06401	0.5
173.94287	0.3
185.09998	0.5
213.12283	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	213.1483
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03887	3.0
55.01792	3.8
55.05446	19.5
57.03364	7.1
67.05420	57.9
69.06980	20.4
71.77918	2.8
79.05414	37.3
79.46758	2.6
80.16519	2.9
81.06966	64.0
81.41013	2.5
83.04890	6.9
83.08537	5.9
88.07561	19.2
90.90301	6.4
91.05408	17.8
93.06981	53.4
95.04893	4.8
95.08518	12.1
97.06441	4.6
105.06971	3.9
107.08510	23.7
111.07961	3.7
117.06949	4.4
121.10067	5.8
131.08554	6.7
133.10063	5.3
135.11670	5.5
144.51979	3.5
149.13235	15.3
149.94048	6.3
159.11636	5.0
162.23920	3.0
167.95099	3.5
172.11177	6.7
177.12755	5.0
195.13809	3.2
197.11595	4.8
213.14642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.89533	1.0
53.03885	2.5
55.01808	1.7
55.05452	27.7
57.03375	10.4
65.03841	1.5
67.05078	2.6
67.05428	65.9
69.06982	23.0
71.04920	1.8
73.36911	1.3
79.05408	39.9
81.06976	100.0
83.04880	6.8
83.08534	17.4
83.83125	1.5
85.06479	3.0
91.05400	25.3
93.06971	57.3
95.04906	7.1
95.08515	22.1
97.06478	7.3
105.06976	10.1
105.72427	1.3
107.08538	27.2
109.06450	1.7
111.08049	2.5
117.06978	10.1
119.08492	1.9
121.10091	7.8
121.11480	1.4
123.11658	3.3
131.08534	8.9
133.10094	10.4
135.11653	11.3
149.13222	18.6
159.11678	8.8
177.12659	2.2
195.13837	2.6
204.17264	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03890	2.3
55.01813	4.6
55.05191	1.2
55.05451	27.1
56.03763	1.1
57.03374	19.7
57.07005	2.5
65.03875	0.9
67.05425	68.2
67.05785	2.7
69.06983	26.4
70.06465	1.0
71.04888	5.6
79.05407	42.4
81.03336	1.1
81.06973	100.0
83.04897	13.1
83.08525	15.5
85.06483	4.0
88.07556	2.7
91.05411	23.2
93.06971	61.2
95.04884	7.1
95.08537	22.8
97.05949	1.3
97.06489	13.3
99.07991	1.8
105.06968	8.4
107.08541	28.7
109.06507	2.3
109.10119	1.5
111.08021	7.7
117.06968	8.2
121.10103	11.2
131.08505	11.2
133.10107	8.9
135.11653	6.2
140.76633	1.2
149.13246	23.0
151.33226	1.1
159.11642	11.0
177.12730	4.8
195.13744	7.5
213.34154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.59277	1.2
50.96243	1.1
51.76196	1.4
53.03882	1.5
55.01809	2.1
55.05448	23.6
55.74949	1.3
57.03373	16.5
57.07008	2.2
57.52670	1.5
60.43339	1.6
67.05426	68.8
69.06986	27.9
71.04896	3.9
79.05410	45.6
81.03389	1.6
81.06508	3.5
81.06976	100.0
81.32357	1.6
83.04886	11.0
83.08546	19.5
88.07548	12.2
91.05411	28.9
93.06973	53.5
93.12408	1.6
95.04894	3.4
95.08535	20.9
97.06443	11.6
105.06963	7.9
107.08543	23.0
109.10100	2.9
111.08047	2.8
117.06966	8.0
121.10074	9.6
131.08517	7.6
133.10092	8.9
135.11638	6.4
149.13210	22.6
159.11655	10.4
174.58598	1.7
177.12730	2.4
195.13731	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.92575	1.3
53.03889	2.6
55.01811	7.5
55.05458	28.2
56.96505	2.9
57.03379	18.7
57.07006	3.3
63.57215	1.3
65.03848	1.7
67.05433	83.2
69.06992	32.5
71.04906	3.3
79.05412	58.2
81.03320	3.1
81.06981	100.0
81.37959	1.7
83.04895	11.4
83.08542	17.1
85.06443	2.1
88.07552	12.0
89.08387	1.5
91.05421	27.6
92.10869	1.7
93.06445	2.8
93.06980	65.9
95.04889	7.9
95.08540	29.3
97.06499	12.6
105.06968	10.6
107.08549	36.7
108.62970	1.8
109.06446	2.5
111.08049	4.0
116.47810	1.7
117.07007	11.9
119.08527	1.8
121.10059	11.9
131.08543	12.1
133.10089	7.8
135.11636	8.2
137.05943	2.5
146.66531	2.0
149.13272	25.1
159.11647	10.7
165.12807	1.7
177.12733	4.0
213.14314	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.2529
Annotation	Medelamine A
Peak:m/z	Relative Intensity
51.46313	1.9
52.22274	1.6
52.41545	1.8
55.33105	1.8
55.91318	2.0
57.06740	3.3
57.07014	100.0
61.53465	1.8
64.80405	1.9
67.05428	13.7
69.06979	2.6
70.06524	2.0
71.08549	49.7
71.44334	2.3
81.06969	8.7
84.42139	2.1
85.10116	20.0
92.10926	3.1
214.25267	62.3
218.46779	2.8
228.61226	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82937	0.4
55.05431	2.8
56.96491	0.5
57.07005	5.2
57.07236	0.7
57.31408	0.5
58.53285	0.4
58.74382	0.5
63.00913	0.4
64.32432	0.4
67.05402	0.9
70.95760	1.0
71.08543	33.6
72.93317	0.5
72.93683	3.4
79.05421	0.4
82.06489	4.0
83.04911	4.0
84.38159	0.5
84.41254	0.5
85.06461	3.5
88.11193	12.3
89.60550	0.5
90.94734	5.6
92.18092	0.5
94.86606	0.5
97.00719	2.2
100.07538	20.2
108.95809	2.1
109.10054	0.6
110.05991	1.0
111.04390	9.2
114.09122	0.6
121.00725	2.0
121.18483	0.6
128.07031	6.6
129.05405	0.9
132.95784	9.5
139.01788	8.0
149.96071	1.2
150.96857	37.1
152.14333	3.8
155.23949	0.5
156.07007	0.5
156.13773	2.2
162.03433	1.0
167.97130	3.7
168.97879	2.4
170.15353	100.0
180.13789	0.9
191.97095	3.6
198.14844	51.1
206.49008	0.5
209.98216	4.7
215.17540	2.6
224.03780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0971
Annotation	6052-68-2
Peak:m/z	Relative Intensity
52.46185	0.3
53.22500	0.2
54.73053	0.2
55.05442	1.5
56.96510	2.9
57.07008	2.1
67.48909	0.2
70.06503	0.3
71.08537	0.3
72.08047	1.2
74.02353	7.8
75.77949	0.3
83.04923	2.1
84.04414	1.6
85.02802	0.4
85.06468	0.6
86.09623	3.1
88.11163	0.4
98.97508	8.0
101.05950	0.7
103.05387	0.3
109.47971	0.2
111.04380	2.4
116.98569	9.0
117.05681	0.3
117.06973	0.7
119.01866	0.3
129.05457	0.5
130.04874	0.3
130.06500	2.2
131.00101	0.3
132.08067	0.6
134.99620	8.2
143.07249	2.8
144.08063	100.0
145.06453	0.6
145.08365	0.3
146.06009	1.1
149.01199	0.6
153.00697	1.6
154.06418	0.4
155.07019	2.1
156.08040	0.4
158.01147	0.4
171.09193	1.1
173.08064	1.3
177.00633	0.4
186.99106	1.0
188.06985	0.5
195.01689	0.4
205.00101	0.4
217.09558	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	218.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09489	0.7
51.35040	0.6
53.28954	0.6
54.81436	1.0
57.07011	12.3
57.68710	0.7
58.61783	0.6
60.00554	0.7
62.94989	0.7
63.27806	0.7
66.57283	0.7
70.06509	24.3
71.08537	7.9
88.07548	29.1
88.08591	0.8
92.10748	3.7
102.09113	8.2
106.08611	12.2
146.31235	0.8
155.87415	0.7
166.52312	0.8
174.18442	0.8
183.40009	0.8
200.20042	11.2
218.21112	100.0
226.35526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90244	67.6
59.05140	85.5
61.64463	68.5
72.64803	74.7
78.78962	72.8
80.27418	76.8
80.54583	79.1
86.68013	77.3
130.94839	73.5
169.79045	91.5
219.02536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	16.4
56.04967	6.1
56.36572	0.8
65.12388	1.0
69.06970	1.7
70.02870	1.2
70.06535	1.1
72.07662	2.3
72.08066	68.8
73.06459	10.8
73.57406	0.9
74.05983	8.6
79.70740	1.0
82.84885	0.9
83.06021	4.3
84.04425	100.0
84.08052	8.4
85.02815	2.3
86.09625	29.3
88.03915	7.2
89.02487	1.0
90.09122	45.3
94.06497	1.0
98.97504	5.8
100.03876	1.3
101.06524	1.1
102.05477	4.7
103.80672	1.0
110.09641	6.1
111.79945	1.0
114.94315	1.1
116.98573	4.1
130.04039	1.5
130.04970	15.8
134.99644	1.9
136.06227	1.8
138.38966	1.0
155.11772	1.4
156.10162	13.6
173.12846	6.5
178.59846	1.2
184.09663	9.0
190.38734	1.1
201.12303	17.4
202.10703	11.0
219.13271	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	219.1337
Annotation	Lysopine
Peak:m/z	Relative Intensity
55.05447	16.4
56.04967	6.1
56.36572	0.8
65.12388	1.0
69.06970	1.7
70.02870	1.2
70.06535	1.1
72.07662	2.3
72.08066	68.8
73.06459	10.8
73.57406	0.9
74.05983	8.6
79.70740	1.0
82.84885	0.9
83.06021	4.3
84.04425	100.0
84.08052	8.4
85.02815	2.3
86.09625	29.3
88.03915	7.2
89.02487	1.0
90.09122	45.3
94.06497	1.0
98.97504	5.8
100.03876	1.3
101.06524	1.1
102.05477	4.7
103.80672	1.0
110.09641	6.1
111.79945	1.0
114.94315	1.1
116.98573	4.1
130.04039	1.5
130.04970	15.8
134.99644	1.9
136.06227	1.8
138.38966	1.0
155.11772	1.4
156.10162	13.6
173.12846	6.5
178.59846	1.2
184.09663	9.0
190.38734	1.1
201.12303	17.4
202.10703	11.0
219.13271	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	219.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	0.4
56.96492	1.0
60.24658	0.3
63.83302	0.2
67.05406	0.3
72.08070	11.0
89.10690	0.5
91.05399	1.5
95.04905	0.3
98.97508	1.9
103.05402	28.3
116.98563	1.8
117.98864	0.3
131.04890	100.0
132.05232	0.5
134.99608	1.8
136.93117	0.2
148.07501	0.4
160.07549	0.6
190.60060	0.2
202.12233	19.7
211.99210	0.2
219.14882	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	220.1178
Annotation	D-Pantothenic Acid
Peak:m/z	Relative Intensity
51.29143	1.2
51.63036	1.1
55.01801	1.9
55.05440	1.7
56.01300	1.2
57.07011	12.9
57.32803	1.4
59.04919	9.5
67.05407	9.4
69.06971	7.6
70.02862	14.0
72.04427	23.7
73.02814	6.6
74.02341	2.7
83.04883	2.7
85.06462	18.4
86.09637	1.8
90.05473	100.0
90.74635	1.4
92.10262	2.1
95.04881	12.2
98.02341	29.6
100.03867	1.7
103.07484	10.4
113.05919	2.8
116.03381	15.6
116.98618	1.8
120.59181	1.5
124.07533	30.8
129.34953	1.3
142.08551	7.6
158.74838	1.4
166.08546	2.0
184.09653	13.7
202.10684	22.1
220.11757	28.0
231.47134	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19007	4.6
70.26173	5.9
77.45932	5.3
92.62778	5.3
93.13319	4.6
104.10668	100.0
108.56915	5.0
221.04257	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	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
71.48442	0.8
82.02851	1.7
94.06509	6.1
98.97507	4.8
110.73882	0.8
114.20571	0.8
116.98588	2.0
119.01888	1.9
120.08060	0.8
128.51817	0.8
130.06497	79.0
132.04422	65.1
134.99626	1.5
135.93330	0.8
157.07581	33.8
158.05986	100.0
159.06265	1.5
175.08632	76.5
176.07126	1.0
186.05391	1.1
187.16176	0.8
204.06505	1.7
221.07349	1.0
221.09204	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	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
64.27259	0.6
67.90327	0.6
75.02598	0.6
82.02856	2.8
94.06490	3.3
98.97499	1.1
102.29324	0.6
110.83708	0.6
115.05367	0.6
116.98557	1.3
120.08059	1.5
130.06494	100.0
131.06871	0.7
132.04414	50.1
134.99664	0.8
140.04967	0.8
148.07520	2.5
156.06775	0.8
157.07582	56.7
158.05981	73.0
159.09201	1.0
175.08620	37.4
176.07045	1.2
185.07019	1.6
203.08104	21.1
204.06541	1.6
221.09125	5.2
232.62706	0.6
239.88638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
54.81778	0.5
55.05460	0.7
55.67782	0.6
56.04964	1.1
56.30785	0.5
56.96490	4.8
57.07004	3.6
58.07342	1.1
59.04929	3.1
59.05262	0.5
60.04465	0.5
60.05262	1.0
61.01056	0.9
67.05422	3.2
68.05747	1.2
69.06989	1.6
70.02869	5.0
70.06514	1.1
70.07336	0.7
71.03190	0.9
72.04433	8.1
73.02822	2.6
73.04760	2.5
74.03133	0.7
74.57842	0.6
81.06996	0.7
82.02865	3.4
83.04946	0.6
84.21568	0.6
85.02831	0.8
85.06458	5.4
86.06799	2.6
86.09604	0.8
90.05480	38.5
91.05274	1.6
91.05807	11.5
94.06499	5.2
95.04890	4.0
96.05221	1.0
96.08061	0.7
97.08390	0.9
98.02351	5.5
98.97505	11.3
99.02686	3.7
103.07513	2.5
104.07859	1.5
107.69501	0.6
114.37367	0.6
116.03405	4.1
116.07046	0.7
116.98585	13.0
117.03732	2.4
119.01877	5.7
120.08012	0.9
120.97826	1.2
124.07534	5.1
125.07925	7.2
130.06493	69.1
132.04416	57.3
132.05453	1.2
134.99622	11.9
137.02946	3.2
138.98888	1.3
142.08658	3.2
143.08932	1.3
147.09146	0.8
148.07666	1.2
153.00665	2.9
157.06325	1.1
157.07581	30.7
158.05980	100.0
175.08627	76.6
176.07037	1.4
179.02249	1.1
179.03893	1.3
184.09645	1.2
185.10017	4.6
186.05415	0.7
202.10684	1.4
203.08089	1.3
203.11053	9.2
204.06580	1.1
216.43729	0.7
220.11760	3.6
221.09163	20.1
221.12115	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	222.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02327	0.1
52.15070	0.1
53.42216	0.1
56.96503	5.8
63.43575	0.1
71.95181	0.7
84.45087	0.1
89.03815	0.2
91.05418	0.1
92.04929	0.5
92.17158	0.1
94.51171	0.1
98.97514	27.2
106.06496	0.4
107.04865	0.2
116.04926	2.9
116.98571	38.8
117.98953	0.2
119.04931	0.2
120.97889	0.2
130.06502	0.2
134.04953	0.2
134.05981	5.7
134.99626	43.2
136.00023	0.2
137.00069	0.1
138.98875	0.2
140.00188	1.7
144.04419	4.5
148.03896	2.6
149.01219	0.1
153.00685	12.1
158.01228	9.0
158.05913	0.1
162.05472	100.0
163.05836	0.9
176.02281	2.8
178.53860	0.1
179.20741	0.1
181.02747	0.4
190.04955	4.9
193.08643	0.1
198.98857	0.1
222.07620	1.9
223.31880	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	222.076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94392	0.5
56.96241	0.7
56.96499	10.4
64.62036	0.4
66.97002	0.4
68.63236	0.5
71.95163	0.8
91.05409	0.6
95.68204	0.5
98.97515	56.0
102.96820	2.3
103.05400	0.7
104.15442	0.5
116.98569	65.3
119.67348	0.6
120.08067	13.2
120.97863	2.7
130.06491	100.0
132.03503	0.9
132.04414	16.5
134.99625	68.5
138.98923	2.9
140.00143	3.2
147.04372	0.9
148.03894	0.5
148.07549	25.6
152.99571	0.5
153.00681	20.6
158.01224	14.7
158.05986	31.5
162.05495	2.7
176.02225	4.5
176.07028	46.6
204.06558	0.7
204.48697	0.6
222.07637	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	222.076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60010	0.3
55.05460	0.3
56.96501	10.1
57.03362	0.3
60.95781	0.5
69.03341	0.4
69.06979	0.6
71.95178	0.6
77.00790	0.5
97.02831	0.4
98.97507	37.1
101.69154	0.3
102.96795	2.8
103.05434	0.5
114.38168	0.4
116.98564	60.8
119.01868	1.9
120.01955	0.4
120.08056	11.6
120.97826	3.1
130.06490	100.0
131.06805	1.6
132.04419	15.7
134.99620	89.8
136.06155	4.7
137.02835	0.4
138.98903	4.8
140.00185	2.4
145.03447	0.4
146.99634	0.6
148.06297	1.0
148.07539	20.8
153.00677	29.0
156.99985	1.5
157.03467	0.8
157.99902	0.4
158.00238	0.3
158.01218	16.5
158.05977	30.0
162.05571	0.5
163.04103	0.5
176.02281	7.1
176.07024	44.5
181.02800	0.7
198.98807	0.7
221.04965	0.8
222.07585	4.6
222.13463	5.1
239.06134	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1124
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
53.98997	0.4
54.29077	0.4
54.81762	0.5
56.26267	0.4
56.96492	0.9
58.50780	0.4
67.68855	0.5
67.94835	0.5
72.04428	4.1
76.96960	0.5
82.67321	0.7
89.03844	12.9
91.05410	3.0
98.97518	12.7
106.04120	0.6
116.98577	9.9
117.03327	45.1
119.04899	3.5
120.89719	0.6
132.86494	0.5
134.03616	4.9
134.99625	8.2
135.04413	4.7
135.06601	0.5
136.05174	4.5
145.02823	100.0
146.03180	0.9
149.05949	15.3
151.07555	3.9
158.01236	2.8
162.03108	2.8
163.03886	5.6
177.05435	97.1
178.05750	0.5
222.11203	24.1
223.11842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50215	0.2
56.96237	0.5
56.96506	12.7
57.06997	0.7
60.44092	0.3
64.22898	0.3
65.03856	0.5
68.75201	0.3
71.95172	0.4
76.07576	0.5
76.56388	0.3
81.03358	0.3
83.04881	0.3
91.05411	20.5
92.05723	0.3
98.97519	48.7
102.96803	0.7
115.13811	0.3
116.98576	75.3
117.98914	0.3
119.04903	24.0
120.97853	1.3
130.06593	0.3
134.99631	100.0
136.00027	0.5
138.98924	2.0
140.00148	3.1
147.04396	72.9
148.04756	1.5
148.78801	0.4
149.01254	0.4
153.00690	34.4
156.99974	0.4
158.01228	20.5
159.01563	0.4
163.07516	14.0
176.02307	7.4
177.00713	1.5
181.02803	0.6
219.01830	0.3
222.11179	1.3
222.14812	2.4
228.40500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0964
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
51.20453	0.2
52.74518	0.2
53.07954	0.2
54.81639	0.2
56.96495	0.5
57.06738	0.3
57.07010	9.3
58.88735	0.2
59.69854	0.2
60.95781	2.0
65.03856	2.7
71.61060	0.3
77.38325	0.3
93.03322	1.1
94.19508	0.3
98.97502	3.7
99.97862	1.4
111.04404	0.6
116.98584	4.5
117.98915	1.0
121.02817	10.9
121.03928	0.4
132.00555	0.3
134.99605	5.1
135.99968	1.4
140.40590	0.3
149.02313	100.0
150.02705	0.5
153.00694	1.3
158.01187	0.7
159.01688	0.4
167.03331	3.0
189.77533	0.2
193.88452	0.3
201.00459	0.3
219.01506	0.6
244.99480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	0.3
55.05444	0.6
56.40775	0.2
56.96498	2.4
57.03363	0.4
69.03349	0.6
70.06497	0.4
72.15224	0.3
72.48502	0.3
73.02808	1.2
73.19095	0.3
75.71471	0.3
79.05423	0.4
81.03307	0.5
84.08034	0.4
85.02834	0.5
89.03804	0.3
91.05380	1.3
93.06957	0.3
97.02823	0.4
98.97488	0.6
106.06498	2.9
107.04905	1.6
111.04401	0.6
115.03950	0.3
116.04928	8.9
116.98544	0.6
119.01872	0.4
119.04905	0.3
123.04375	0.4
125.02283	0.6
132.08067	0.5
133.05016	0.3
134.05980	15.6
134.99625	0.6
136.06125	0.3
136.07549	0.6
144.04416	8.4
144.05540	0.5
149.02301	0.4
153.00696	0.3
158.22787	0.3
162.05469	100.0
164.03366	2.7
173.03008	0.4
178.01024	0.3
178.08553	0.7
180.73381	0.3
206.04405	0.4
219.02817	1.4
242.63345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65965	0.2
56.02539	0.2
57.89679	0.2
60.63994	0.2
62.83438	0.2
75.84283	0.2
82.99784	0.2
90.80141	0.2
92.10310	0.2
100.02425	0.2
101.00811	9.3
119.01871	100.0
120.01981	1.5
121.02289	0.3
123.13142	0.2
124.02404	1.0
137.02927	51.1
138.03093	0.4
139.03331	0.3
142.03470	31.0
143.01799	0.3
143.03639	0.2
160.04514	13.2
161.02916	8.2
161.04311	0.2
165.05013	0.7
176.10898	0.2
179.03967	25.5
180.04071	0.2
184.04530	0.5
193.05507	0.2
202.05540	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	225.0757
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
54.81934	1.1
57.07003	2.0
65.03867	6.2
65.57633	0.7
66.27725	0.7
72.05927	0.9
77.03820	1.0
79.05393	1.1
80.06178	1.1
89.03831	5.5
91.05405	100.0
92.05717	1.0
95.04903	4.0
99.94242	0.8
103.05392	2.0
105.03315	1.8
105.35347	0.9
107.04885	3.5
118.04086	10.6
119.01880	18.7
119.04894	88.6
121.02836	2.1
122.03600	0.9
123.04346	1.5
124.03886	6.0
129.03345	1.4
132.02043	6.7
133.02805	1.2
135.04404	3.6
136.05170	4.4
137.02931	10.1
142.03450	1.8
145.02815	1.9
146.03590	1.6
147.04387	66.8
149.02315	16.6
153.05423	1.1
155.24313	0.9
157.03944	5.9
160.04515	1.7
163.03870	1.7
164.04666	13.6
174.03084	1.1
175.02309	1.8
175.03868	66.9
177.01794	5.2
179.03987	4.1
179.06967	7.4
192.04128	38.7
207.06496	76.3
208.06755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03881	0.9
55.01818	5.4
55.05455	3.8
56.96491	1.0
57.03365	0.7
57.07001	0.6
58.18269	0.4
61.49073	0.4
65.03865	7.9
67.05425	5.5
69.03364	2.3
69.07006	1.4
71.04900	0.8
71.40964	0.5
72.93710	0.7
73.02428	1.0
73.02831	29.7
79.05402	2.7
81.06992	0.7
82.04111	3.2
83.04894	0.7
83.08538	2.4
85.02830	6.4
85.06470	0.9
91.05403	4.7
92.99382	0.5
93.03346	1.1
93.06966	2.6
95.04905	7.7
97.02831	0.6
97.06464	3.4
98.97526	0.5
100.11185	11.7
103.05432	0.6
105.04457	0.8
105.06983	0.9
107.04890	1.9
107.08526	1.1
108.02032	1.2
109.06448	0.6
110.03638	5.5
111.04379	3.1
116.98592	0.7
117.03333	0.6
119.01866	2.3
119.04905	0.6
119.08530	0.8
120.01991	0.5
121.00790	0.8
121.01585	4.0
121.06455	3.0
121.10131	0.7
123.04382	5.7
123.08005	0.7
125.02314	2.6
125.05946	4.5
131.08560	1.2
134.70345	0.6
134.99614	0.7
135.04420	0.8
138.03101	3.8
138.05000	1.0
139.01785	1.0
139.02692	3.4
139.03662	0.5
140.04663	47.1
142.02603	3.1
143.01813	0.6
143.08524	0.5
144.03160	1.6
145.02783	0.7
145.10123	0.7
147.04405	2.1
149.06004	0.6
149.09581	2.4
153.05460	1.0
155.07004	26.7
161.02895	2.3
162.04301	1.0
163.01747	1.9
163.03923	0.8
166.04546	0.8
166.06187	0.5
167.06996	3.7
171.06467	12.0
173.08060	4.2
177.05434	0.8
179.05328	2.0
179.06978	2.3
181.03011	4.0
181.04927	100.0
181.08441	2.8
191.10786	0.8
194.03931	1.6
209.06337	2.8
209.08075	12.4
209.11348	0.7
209.16495	1.1
227.09111	12.7
227.17557	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	227.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	8.1
55.05442	34.5
56.96496	6.0
65.18561	4.9
67.05409	14.0
68.99692	7.5
70.49654	5.0
74.61086	4.5
74.83101	5.0
76.08062	5.3
79.05396	7.3
81.06969	32.8
83.04885	28.3
83.08546	50.5
84.45793	5.0
85.17902	5.6
91.05382	31.7
93.06943	24.5
95.04923	40.0
100.11183	100.0
107.08525	61.2
109.06451	30.8
111.04373	30.1
111.08025	75.6
119.03372	10.1
119.04795	6.6
120.97865	6.8
121.01609	26.9
121.06372	6.5
125.09547	8.9
131.58733	6.0
135.08052	10.7
139.01787	10.1
139.02719	13.9
145.10126	6.0
153.09047	43.2
153.12657	6.8
163.01674	11.2
169.08580	33.4
172.11894	6.1
181.02803	13.0
185.11650	8.4
190.89571	5.8
195.10098	30.3
227.12607	8.5
227.17455	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	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86934	2.6
54.81745	3.9
55.01801	15.1
55.05451	57.1
57.07026	3.9
62.28957	2.8
67.05428	49.0
69.06977	21.9
69.57479	3.4
71.04880	6.1
79.05418	61.2
81.03336	7.4
81.06960	42.4
83.04906	5.9
83.08526	28.7
91.05403	24.9
92.10867	6.5
93.06971	98.2
95.04868	21.8
95.08537	84.0
97.02834	6.8
97.06444	4.8
99.04385	6.2
100.11189	75.8
103.07175	2.9
105.06952	21.2
107.04910	23.3
107.08540	62.0
109.06451	7.9
109.10072	5.6
111.04429	4.5
115.31889	3.2
116.98559	3.4
117.06939	23.7
119.08524	18.8
120.97878	7.2
121.01624	16.2
121.06461	14.0
121.10064	21.3
134.99660	4.3
135.11667	74.9
139.02681	12.3
145.10080	46.1
146.69383	3.4
155.71541	3.5
163.11148	79.9
167.07025	16.1
181.02737	7.0
181.12178	8.3
181.36794	3.8
199.08823	3.4
201.36110	3.2
209.16425	5.0
227.12724	100.0
227.17519	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	1.7
53.03881	1.5
53.23236	0.8
53.76048	0.7
54.81699	1.0
55.05456	9.4
56.02594	1.4
56.96506	8.6
57.07010	3.4
60.95788	1.4
67.05131	1.1
67.05432	20.3
69.06983	4.3
71.04912	100.0
79.05424	10.8
81.06978	23.1
83.04861	1.3
83.08537	1.8
85.06478	1.1
91.05392	4.6
91.59518	0.9
92.10795	1.3
93.06978	14.5
95.04892	2.0
95.08527	13.9
97.06450	2.1
100.11180	9.8
105.06956	3.7
107.08537	7.3
109.06465	1.2
109.10115	1.3
113.16016	1.0
117.06926	1.6
121.01585	8.3
123.08007	1.2
131.08507	1.3
133.10127	2.2
135.11617	5.6
138.98921	1.9
139.02655	3.6
149.13216	1.4
159.11615	2.2
175.85542	1.0
177.12639	1.5
227.17545	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03881	4.8
53.93931	2.6
55.01808	6.9
55.05448	47.2
56.96490	3.5
57.03378	6.1
57.07002	15.7
58.28149	2.4
62.82453	2.4
65.03851	3.7
67.05430	44.1
69.03349	54.5
69.06985	52.8
71.04904	36.1
72.08086	21.8
79.05405	72.8
81.03332	14.3
81.06977	73.3
83.04901	31.8
83.08534	26.8
85.06470	4.7
87.96291	2.3
91.05399	57.3
93.06978	70.3
95.04887	17.2
95.08530	56.7
97.06467	12.1
97.10107	17.4
99.08009	3.4
100.11186	37.1
103.05431	4.1
105.06976	34.0
107.04875	5.5
107.08533	100.0
109.06459	24.2
109.10130	45.1
111.08015	26.3
112.50776	2.9
113.05814	2.9
115.07529	4.6
117.07000	4.0
119.04908	45.3
119.08525	13.2
120.05153	4.6
121.01572	3.8
121.06437	16.3
121.10089	42.1
123.08018	14.9
123.11648	13.3
125.06021	4.7
125.09539	23.5
126.12735	3.9
131.08525	12.8
133.10083	15.6
135.08000	22.0
135.11655	10.3
137.09550	6.5
145.10114	12.1
147.04375	89.1
147.11633	9.9
148.04768	5.6
149.09579	20.3
149.13255	13.9
151.11137	31.5
163.11139	4.5
163.14812	12.9
165.12665	13.1
167.07002	5.2
173.13222	26.1
181.02867	12.0
191.14273	25.5
209.15356	14.4
227.16460	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	227.1753
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
53.07109	0.3
55.05452	18.0
56.96562	0.4
58.25871	0.3
62.02836	0.3
76.55798	0.4
83.08544	10.0
84.08089	0.4
85.76106	0.3
92.10358	0.5
92.53323	0.4
100.11185	100.0
119.65980	0.4
126.96304	0.4
139.08586	0.6
158.44002	0.4
204.36237	0.4
209.16447	8.7
223.97189	0.4
227.17496	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	229.1223
Annotation	Stilbostemin B
Peak:m/z	Relative Intensity
52.27584	0.7
53.03878	1.5
55.05452	8.2
56.05764	0.8
57.03354	0.8
57.07002	1.0
67.05424	12.7
68.05747	3.0
69.06994	5.7
79.05400	11.6
81.03339	0.9
81.06972	12.0
83.08531	3.8
91.05408	16.6
92.10359	0.9
93.06969	5.0
95.04895	3.6
95.08540	14.3
96.08849	4.0
97.10083	0.9
103.05390	6.0
105.06970	27.8
107.04898	52.7
107.08492	6.9
109.06429	0.8
109.10117	5.8
110.10415	1.2
115.05393	3.6
117.06968	1.3
119.08533	1.3
119.73854	0.8
128.06180	25.3
129.06956	14.6
131.04897	7.9
132.26869	0.8
133.10143	0.9
135.04384	100.0
141.06998	1.3
142.07756	4.0
143.08527	16.5
145.06483	1.8
149.05960	23.7
155.08508	1.2
157.10086	5.1
169.06461	1.3
169.10068	0.9
173.05943	6.3
175.14746	2.9
176.15082	1.1
187.07504	6.4
193.09911	0.8
201.09163	1.0
211.11186	1.4
229.12193	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	229.1545
Annotation	Pro Ile
Peak:m/z	Relative Intensity
50.47183	0.4
54.33028	0.3
54.81567	0.5
55.01803	0.8
58.06529	10.0
59.07293	2.7
60.08094	11.5
64.33222	0.4
65.03964	0.4
68.04939	0.9
68.13648	0.4
70.06509	62.8
72.08051	0.5
77.98444	0.4
92.10186	0.4
96.08044	3.0
98.06006	0.6
114.05473	6.8
114.09119	3.8
116.07048	1.0
124.07552	5.2
126.09137	0.9
133.87164	0.5
141.50192	0.5
142.08609	55.3
170.08083	1.6
229.15431	100.0
230.15724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
50.80415	0.7
51.65100	0.8
58.06538	10.8
59.07299	1.9
60.08091	12.1
68.04938	1.2
68.78645	0.6
70.06508	72.1
96.08027	1.4
98.06013	1.0
114.05471	6.5
114.09100	4.4
116.07023	1.5
124.07568	6.6
142.08614	63.8
170.08025	1.1
229.15424	100.0
230.15717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94693	0.5
55.01812	0.5
56.96497	33.8
58.06521	3.3
60.08092	4.5
61.08430	0.7
68.04952	0.7
69.05709	0.6
70.06503	30.9
71.06829	3.5
71.95155	1.0
72.55011	0.6
73.06432	0.8
74.97515	0.8
84.04419	0.9
84.08075	0.9
86.05967	1.0
86.09638	2.4
87.04390	2.5
88.02139	0.9
96.08049	0.9
98.05988	1.5
98.97507	75.6
114.05470	4.0
116.07008	4.3
116.98560	95.3
124.07542	0.6
127.03193	3.1
132.69144	0.7
134.99617	100.0
138.09152	0.6
140.00137	0.9
142.08600	13.3
143.08994	4.5
147.03267	7.4
153.00676	27.9
158.01221	1.4
163.02670	0.9
165.04320	8.8
168.41341	0.7
183.05353	1.1
184.09647	9.0
185.49471	0.6
189.00676	2.7
189.04289	15.1
207.01755	2.5
207.05356	49.3
212.09187	4.9
225.06276	4.3
229.15410	15.3
230.06842	2.5
230.09950	0.8
230.15746	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2477
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
54.81771	0.8
57.06742	1.1
57.07014	29.6
58.06527	3.2
58.32759	0.7
60.36319	0.7
62.06019	17.0
67.92412	0.7
71.08548	13.0
74.13625	0.7
81.47707	0.8
85.10094	4.1
99.86364	0.8
106.88866	0.7
139.29222	0.7
159.64949	0.8
212.23706	8.5
230.24748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2477
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
52.09232	1.5
55.05462	1.4
56.96486	8.4
57.06741	1.4
57.07011	35.7
58.06533	3.3
62.06017	19.9
65.50620	1.3
67.05409	1.6
69.07008	1.7
71.08224	1.2
71.08546	18.1
79.05392	1.9
91.60940	1.4
95.04916	1.9
105.06940	2.4
109.89537	1.6
116.98539	1.8
124.97501	3.0
130.49741	1.5
134.99649	1.6
135.08000	5.8
142.98615	6.8
156.17441	23.8
162.28767	1.5
174.18494	100.0
186.55966	2.7
213.04210	2.6
230.24736	92.0
231.13776	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	231.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16660	0.8
56.96487	4.1
62.44838	0.7
69.03320	1.0
74.02360	7.5
79.48530	0.9
80.81356	0.7
84.08051	3.8
87.54680	0.8
97.02801	1.0
98.97511	1.4
99.74854	0.8
100.97792	0.8
102.05499	1.3
112.66101	0.8
114.51728	0.8
116.98537	2.0
118.06473	5.5
130.06480	16.7
131.08543	1.2
132.04401	1.2
134.99631	1.3
140.70663	0.8
141.01755	0.9
143.07286	23.1
144.08028	4.8
146.05975	16.2
149.01247	1.7
152.54457	0.9
154.06470	10.3
156.04129	1.7
156.08031	4.4
157.08806	5.2
158.09616	100.0
167.07257	1.3
168.08038	25.4
169.08803	1.6
170.05843	1.0
170.09677	1.8
171.06610	0.9
188.06992	11.5
196.07576	2.0
199.06171	0.9
214.08643	9.5
225.47369	0.8
231.08966	0.8
231.11113	7.9
232.17218	1.0
249.94452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	0.8
55.05448	6.8
56.04978	24.6
56.96499	7.1
57.03368	1.1
57.07023	0.6
60.04448	0.7
60.53246	0.4
60.95778	0.4
67.05431	9.3
69.06991	3.5
70.06508	4.2
71.04897	0.7
72.08014	0.5
73.02831	0.7
79.05405	3.1
81.06982	13.0
83.04914	0.6
83.08538	2.4
84.08074	3.1
85.06462	1.3
91.05419	6.6
93.06969	1.2
95.08546	1.1
97.02815	0.8
97.10094	0.5
98.97519	3.4
105.06972	2.1
107.08529	3.2
109.06438	0.6
109.10091	2.2
116.98564	2.8
117.03348	0.9
119.04929	0.8
121.10072	2.0
123.11726	3.9
130.06476	5.2
132.95830	0.9
133.10101	5.6
134.99626	3.0
137.05989	0.6
140.14314	0.9
145.02858	1.0
146.99602	0.9
147.04390	3.2
149.01216	5.6
150.12775	1.0
150.96886	2.9
151.11166	2.2
158.99709	0.8
167.02235	2.8
168.13809	100.0
177.05586	1.8
186.14864	46.3
187.13222	0.6
191.02225	1.1
193.69052	0.5
196.13332	1.0
199.30981	0.6
209.32893	0.6
214.14378	4.2
222.75876	0.6
232.15381	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	232.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	0.7
54.85976	0.4
55.05416	0.4
56.96492	2.2
57.03363	0.4
57.06743	0.6
57.07011	11.6
57.73201	0.5
58.06529	0.7
62.06023	1.3
69.06971	0.8
70.06509	24.0
70.56455	0.3
71.08545	6.7
72.10973	0.4
78.79726	0.4
81.06960	0.7
83.48590	0.4
85.10098	2.8
88.07552	32.0
88.08104	1.1
92.10255	0.5
98.97511	0.6
102.09111	8.1
106.08611	14.0
136.09772	0.5
145.10162	0.5
149.01170	1.7
151.58214	0.4
167.02225	1.9
170.19087	0.5
188.20015	2.2
214.21638	11.4
232.22665	100.0
233.15454	0.5
233.22960	0.9
250.57979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72874	14.6
55.05449	15.2
70.06508	100.0
71.06845	19.6
81.33815	18.5
82.37862	16.1
84.04433	19.7
84.08055	28.6
86.37684	16.8
92.10229	22.7
97.28746	16.8
116.07063	32.9
118.08595	31.0
128.01410	19.0
178.36168	19.0
233.04050	24.2
243.49117	21.2
243.99800	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	233.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81554	2.1
55.01805	3.7
55.05445	4.1
56.04970	8.5
56.96492	12.1
57.03369	14.9
59.83154	1.5
60.04462	25.7
69.06946	2.6
70.02862	3.9
70.06504	2.3
72.04427	15.6
72.08067	39.2
73.02831	31.9
73.81309	2.0
74.02337	8.6
74.05993	70.8
82.06518	1.9
82.15505	1.8
84.04427	25.1
85.02827	15.0
86.05977	3.5
86.09618	7.6
88.03923	15.4
90.04958	3.2
90.05475	56.2
96.04416	2.1
96.56068	2.0
97.02839	2.2
98.02348	2.7
98.06008	3.2
98.97523	8.9
100.03905	24.2
100.07542	1.9
102.05476	87.3
104.07053	2.4
110.02306	2.2
110.07149	2.3
113.07102	2.9
114.05479	100.0
116.07038	95.8
116.08270	2.1
116.98549	4.0
118.06450	1.9
118.08605	9.6
119.01885	18.3
126.05445	6.7
127.08620	2.1
128.98550	2.5
129.05429	3.9
130.06497	2.4
133.03398	2.8
134.99599	4.1
137.02968	7.4
144.06561	30.1
144.07625	2.9
144.08105	2.0
146.05969	8.4
146.99580	2.1
149.06595	2.4
150.96866	7.2
151.06339	2.5
152.07028	6.5
154.06473	1.7
156.06532	54.9
169.07529	2.3
173.06569	11.8
173.09157	14.2
174.07591	81.9
187.08693	6.2
187.10751	9.8
191.07602	26.4
191.10281	3.2
191.97125	2.7
198.07562	2.3
204.13762	1.7
205.07443	2.6
215.10226	15.9
216.08609	7.6
233.09140	3.7
233.11270	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	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
51.02392	0.6
53.03886	1.4
53.76380	0.8
55.05442	5.8
56.96497	4.1
57.07009	1.2
62.28251	0.9
63.63568	0.8
64.21520	0.8
65.03869	1.1
65.64895	0.8
67.05084	1.4
67.05428	37.1
69.06990	10.1
71.04883	0.8
73.02830	1.4
73.72687	0.8
79.05405	30.3
81.03317	0.9
81.06976	56.1
83.04882	1.2
86.85813	1.0
91.05401	23.7
93.06978	18.3
95.04896	2.2
95.08531	28.4
97.06468	1.3
105.06978	23.3
107.07868	1.7
107.08540	33.3
109.06478	7.4
109.10113	46.5
109.10868	1.6
111.04383	2.0
112.49447	0.8
117.06966	21.7
119.08542	47.9
121.10117	9.2
123.04385	1.5
123.11634	2.0
125.05919	4.3
127.07502	6.4
130.07753	1.8
131.08530	32.1
133.10085	13.5
135.08017	1.3
135.11673	1.8
137.05879	1.4
139.01817	1.5
139.07518	1.9
143.08516	5.9
144.09389	1.2
145.10098	50.4
146.67064	0.9
147.11699	8.8
149.01212	1.2
155.08475	2.0
157.10123	1.4
158.07240	5.2
159.08043	2.0
159.11655	35.5
161.13226	3.8
162.03468	1.1
167.10524	1.3
169.10101	2.0
171.11693	4.3
173.09579	7.8
173.13245	1.7
175.48859	1.0
177.09061	2.0
182.10851	1.0
185.13246	2.2
187.14789	100.0
197.13216	4.5
201.09122	2.1
215.14293	14.5
217.10593	1.0
233.15318	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89184	0.4
56.97535	0.5
57.06979	0.5
57.40412	0.4
60.75285	0.5
66.51762	0.5
68.71707	0.5
71.69272	0.5
74.01922	0.5
76.53046	0.5
77.74783	0.5
83.04893	0.9
89.03842	1.3
89.05926	0.5
99.97671	0.6
107.02364	0.6
111.04393	2.3
117.03326	11.5
130.47443	0.6
134.03645	0.7
139.01778	1.2
145.02817	66.8
149.05913	4.0
150.96878	0.7
155.07014	2.6
162.03214	2.3
173.08145	0.9
176.07050	0.9
177.05428	100.0
193.24924	0.6
207.16872	0.6
217.10550	2.6
218.08060	0.7
219.08916	3.1
234.11203	59.1
235.11676	0.7
245.05261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74101	0.3
55.05461	0.4
55.55850	0.3
56.04974	18.6
57.06740	0.6
57.07012	15.4
58.06533	10.9
60.04456	4.3
68.04934	1.6
69.06964	1.8
71.08189	0.5
71.08548	10.7
74.05598	0.8
74.05991	15.7
81.06998	0.4
86.05985	2.9
88.07549	65.8
90.05457	0.6
92.10841	0.6
98.97535	0.5
104.07025	1.9
106.88351	0.4
118.08595	10.8
119.84034	0.4
121.06040	0.5
122.08079	7.7
129.19359	0.4
132.67894	0.4
139.57826	0.4
186.18492	92.4
187.19022	0.6
216.19504	3.0
234.20584	100.0
235.20901	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	235.111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81904	1.1
55.05447	8.4
55.73645	1.2
56.04976	2.2
56.96498	14.7
57.03365	1.9
57.07001	2.3
61.01081	16.1
69.03352	3.6
70.06509	2.0
72.93713	1.5
73.06446	5.4
79.05407	2.1
81.03292	2.3
83.04930	2.4
84.04424	55.8
84.95949	2.1
85.02831	6.2
86.09622	2.3
87.02608	1.9
89.04170	100.0
89.68684	1.5
91.05427	3.1
96.02157	1.6
96.04411	1.6
97.02828	2.5
98.05993	9.7
98.97507	16.9
102.70296	1.5
105.06978	3.4
106.06834	15.7
106.26109	1.7
107.92758	1.7
110.07113	6.6
111.39073	1.7
111.74657	1.5
116.98533	11.0
119.01807	1.6
121.00733	2.3
121.02749	1.5
124.03903	3.6
124.07569	11.7
130.04971	3.2
133.06456	9.9
134.99617	9.9
137.03036	1.7
139.01804	14.9
145.06462	6.8
146.99591	1.8
147.03296	2.4
149.01244	7.5
150.07649	1.7
150.96899	2.9
154.37689	1.6
155.04686	2.1
158.99651	2.0
164.05203	2.3
165.04295	2.6
167.02220	2.0
172.07866	7.3
175.04393	1.9
177.00645	3.7
181.02818	14.6
184.11533	1.9
218.08456	10.2
235.10959	10.5
235.16879	2.2
259.58865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.144
Annotation	p-Coumaroylputrescine
Peak:m/z	Relative Intensity
60.89059	0.3
64.33646	0.3
65.23486	0.3
72.08070	8.5
78.53120	0.3
89.10731	3.7
91.05399	6.3
101.46844	0.3
115.08641	0.4
119.04897	25.0
147.04387	100.0
148.04703	0.3
188.28874	0.3
218.11746	6.6
224.14722	0.4
225.90590	0.3
235.14377	7.3
242.08260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Caulolactone A
Peak:m/z	Relative Intensity
53.03894	6.7
55.01807	0.7
55.05455	3.7
56.71682	0.6
56.96496	3.7
57.07022	0.7
65.03883	0.8
67.05429	17.5
68.56200	0.6
69.06988	3.5
79.05416	24.8
81.06987	6.2
83.08539	0.7
91.05409	51.0
93.06976	100.0
94.72613	0.8
95.04904	20.3
95.08536	4.6
99.95069	0.7
100.92772	0.7
100.93426	0.7
105.04491	5.0
105.06966	5.5
107.08543	7.1
109.10100	1.5
117.06998	1.0
119.08559	4.1
121.10117	7.2
131.08508	1.0
133.10031	2.8
135.11678	1.2
145.10121	0.8
167.02344	0.8
175.14749	0.8
189.04543	0.8
193.10056	0.8
235.16914	5.5
250.54558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Gajutsulactone A
Peak:m/z	Relative Intensity
51.02305	0.7
53.03894	6.6
54.51463	0.5
55.05450	3.3
56.96508	0.9
60.28893	0.6
67.05428	18.4
69.06985	2.8
77.03821	0.7
79.05412	23.6
81.06983	5.8
91.04830	1.5
91.05409	46.2
92.10314	0.7
93.06976	100.0
95.04907	18.5
95.08545	6.1
105.04469	3.2
105.06979	3.4
106.69357	0.7
107.08553	8.2
109.06488	0.7
109.10102	1.6
119.08546	1.3
121.10070	7.3
131.08559	1.2
133.10098	3.1
135.08020	1.4
135.11584	1.0
154.73598	0.7
224.76035	0.8
235.16855	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	235.1691
Annotation	Gajutsulactone A
Peak:m/z	Relative Intensity
50.29588	0.5
51.02321	0.8
53.03885	6.2
55.01815	0.8
55.05446	3.4
56.96501	1.2
57.07030	0.8
60.04452	0.7
64.32356	0.6
67.05078	0.8
67.05424	17.2
67.05778	0.7
68.26243	0.6
69.06984	2.7
77.03828	0.6
79.05409	18.8
80.68378	0.6
81.06964	5.0
85.32616	0.6
91.05404	49.0
93.06972	100.0
95.04888	16.6
95.08524	4.3
95.44518	0.7
105.04457	2.8
105.06985	3.9
107.07903	0.8
107.08504	5.9
109.10131	2.3
116.59930	0.6
119.08532	1.5
121.10123	8.4
131.08554	0.7
133.10091	2.7
135.11667	0.7
155.10780	0.6
169.72624	0.6
185.72586	0.7
235.16908	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	236.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71522	0.2
57.89375	0.2
72.04414	1.6
79.05394	2.0
91.05395	1.4
95.04860	0.6
98.97520	0.3
99.32565	0.2
103.00849	0.3
103.05416	3.3
104.07001	0.4
105.03317	0.4
105.06948	3.5
115.05422	0.5
118.04063	0.9
119.04899	3.8
120.05686	3.1
121.06519	0.3
130.04065	0.2
132.05682	5.4
133.02782	2.2
133.06450	3.6
135.04388	1.1
135.08034	0.6
146.03590	0.3
147.04350	3.1
148.05170	16.7
149.05931	0.3
150.06717	5.1
160.05150	4.8
161.05923	0.6
163.07497	40.3
165.09085	2.1
176.04623	5.5
189.06628	0.3
191.06979	100.0
192.07431	0.3
236.12744	12.2
236.14778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40107	0.3
57.03360	2.7
58.06523	1.0
59.04912	0.6
60.08098	8.4
61.02842	1.7
65.70172	0.4
69.03345	2.9
70.06499	0.7
71.01245	2.3
72.04412	0.5
73.02834	13.7
81.03342	0.7
84.04442	0.5
85.02812	3.6
86.05989	3.3
87.04398	20.8
90.52219	0.4
96.04373	0.4
97.02824	6.2
98.05979	2.7
99.04376	4.0
103.03878	2.9
104.10682	62.5
108.51147	0.4
112.07604	0.8
114.05435	0.8
115.03905	0.6
116.07051	0.5
117.05427	2.2
128.07028	0.8
140.07127	0.5
159.06499	0.6
164.07021	1.9
182.08112	2.5
200.09145	2.3
218.10194	6.5
236.14883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0866
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
51.06240	0.4
51.58541	0.4
53.48829	0.5
56.96498	6.3
58.32874	0.4
59.29554	0.4
61.64180	0.4
70.06472	0.5
72.48499	0.4
74.02359	6.1
91.05401	2.4
92.04922	0.7
94.06500	10.3
98.97514	23.1
99.00739	4.4
103.05398	0.6
104.04929	3.6
107.04923	0.6
110.05994	0.8
116.97760	1.0
116.98566	27.1
118.06496	24.1
120.04417	8.4
120.08064	8.7
122.05991	0.7
123.05405	0.5
128.04913	5.8
130.06483	8.9
132.04422	9.0
134.99623	26.5
136.07552	18.3
139.01830	2.0
140.00168	0.6
146.05984	100.0
147.06415	0.5
148.03902	16.4
150.05478	4.8
153.00667	5.3
154.94145	0.7
156.04388	2.9
157.07596	4.9
158.04881	0.5
158.05960	3.5
159.09120	1.9
162.05499	0.6
163.08611	0.8
164.07039	3.3
165.03340	0.7
166.08566	1.2
172.94017	0.7
172.95203	2.5
174.05473	22.2
175.08798	0.5
177.00662	3.2
190.95294	3.0
190.96524	0.7
191.08136	3.5
192.06528	7.9
195.01726	4.9
202.04967	6.9
203.08183	2.3
220.06015	3.0
237.08498	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	237.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81557	0.2
55.05411	0.3
56.24392	0.2
56.96492	1.5
57.03363	0.4
69.03356	0.5
72.08075	0.5
73.06425	0.3
74.01975	0.4
74.02353	7.9
82.10620	0.2
82.48941	0.2
84.04446	0.2
85.02832	0.5
85.75920	0.2
91.05410	0.3
97.02828	0.4
98.97527	4.3
110.97534	0.2
113.38586	0.2
116.98556	4.5
118.06510	2.0
119.01719	0.2
128.04915	5.4
128.98619	0.3
134.99641	3.5
146.05991	100.0
146.99681	0.3
147.06334	1.1
148.03926	1.1
149.01132	0.3
150.33984	0.3
153.00700	0.4
154.94144	0.3
169.77237	0.2
172.95215	0.5
173.06964	0.4
177.00658	0.5
188.15424	0.3
195.01732	0.4
200.10913	0.2
219.07672	0.5
237.02722	0.3
237.08673	2.4
258.95636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82054	2.6
55.01804	4.4
55.05453	11.3
56.56124	1.8
56.96507	23.6
57.03364	4.5
59.04935	2.7
67.05434	4.8
69.03343	10.0
69.06973	4.1
69.89018	2.2
70.06497	3.1
79.05418	29.0
81.03321	7.5
81.06969	18.4
81.80008	2.2
83.04899	26.4
85.02831	11.1
91.05402	15.6
93.06979	14.9
95.04913	9.6
95.08521	8.9
97.02809	10.2
97.06444	5.3
98.97520	43.0
105.06977	19.0
107.04910	17.4
107.08560	9.4
109.06473	4.1
109.10105	5.6
116.98580	59.6
117.06902	3.7
119.04943	3.8
119.08550	14.6
121.02836	13.7
121.06473	21.2
121.10064	2.3
123.08006	11.3
126.02423	2.5
131.04871	4.8
131.08545	4.8
133.06500	4.5
133.52025	9.3
134.99644	58.0
135.04407	11.2
135.08031	11.5
137.79343	2.8
139.01814	9.9
142.52565	13.3
145.02809	3.7
145.10115	5.3
146.05997	22.7
146.99611	2.5
147.04370	4.3
147.08047	10.3
149.06000	9.5
149.09625	10.4
150.05490	8.7
153.00684	17.8
159.08041	4.0
161.06010	2.6
163.03873	9.7
163.07498	9.6
165.09094	10.3
169.07404	2.5
172.95238	11.5
173.09578	3.2
174.05444	2.9
175.07512	3.6
177.00647	9.7
177.05449	5.1
177.09142	9.9
178.04939	9.2
178.06297	3.7
179.06985	4.3
190.95152	17.3
191.10645	13.6
193.08575	100.0
193.10312	4.2
194.08858	2.6
195.01778	9.2
196.53613	9.1
205.54108	4.3
208.96468	2.9
213.97075	2.8
219.10202	10.0
219.13837	2.9
220.02840	12.0
226.41458	2.3
237.11171	3.6
237.14796	6.5
238.03810	17.3
240.05310	4.7
248.02246	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	238.092
Annotation	8-Amino-3,8-dideoxy-D-manno-octulosonate
Peak:m/z	Relative Intensity
50.90283	3.2
52.14652	3.0
53.24616	2.5
54.81645	3.9
55.01799	6.3
57.03366	4.0
60.11787	3.8
62.41178	3.1
69.03346	20.3
69.06991	4.0
70.02873	5.4
70.06513	99.2
72.04428	8.4
72.08074	5.1
73.02833	34.8
74.02362	3.8
76.78691	3.0
78.34493	3.0
79.83645	3.0
83.01244	3.6
84.04426	13.5
84.08064	16.0
84.71815	3.6
85.02828	27.0
86.05997	4.0
86.09631	76.6
87.04397	15.9
88.03956	3.7
88.07574	7.5
89.33736	3.2
90.05495	32.1
96.04424	15.6
98.02354	5.3
99.04399	3.6
100.03905	13.4
105.30409	3.3
110.07153	5.0
112.03907	7.3
114.09135	6.2
118.76490	3.3
122.32025	3.5
124.03926	5.6
129.10249	3.9
130.04938	5.6
132.10167	63.1
142.04984	8.3
150.05453	5.7
154.05008	5.6
156.06531	15.3
160.06001	97.3
171.69115	4.2
174.11115	3.9
175.60652	3.8
176.12878	16.3
179.93320	4.1
202.07117	21.0
205.01106	3.5
220.08127	100.0
238.09158	21.0
238.16429	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1071
Annotation	Cotarnine
Peak:m/z	Relative Intensity
66.66324	0.5
70.55609	0.4
78.13240	0.4
86.71074	0.4
86.90929	0.4
89.03835	10.8
91.05405	0.7
98.97513	2.5
116.98670	0.5
117.03326	41.8
118.03668	0.5
121.69280	0.4
130.68123	0.5
134.03592	2.5
135.04390	3.2
145.02818	100.0
146.03107	3.3
147.04474	0.5
149.05940	16.0
154.18782	0.5
159.68219	0.4
162.03079	0.7
174.06201	0.5
177.05426	93.0
178.05771	1.1
179.37976	0.5
183.96225	0.5
186.05441	0.5
220.09479	0.8
233.21982	0.5
238.10771	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	238.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.8
56.96508	1.6
63.02275	0.4
65.29525	0.4
67.05420	0.5
69.03353	0.8
70.06526	0.5
73.02853	0.7
73.93989	0.4
76.56161	0.4
80.83351	0.4
84.95959	0.4
86.09631	0.5
89.03837	12.4
91.05421	2.3
92.10939	0.4
93.06958	0.6
95.04875	0.6
98.97540	3.3
102.90073	0.4
107.63744	0.4
109.02807	0.4
110.97563	0.4
116.98588	3.0
117.03328	46.8
132.04425	1.9
133.52011	0.9
134.03621	3.2
134.99631	1.6
135.04398	4.2
145.02824	100.0
146.03203	0.6
146.05983	4.7
147.06322	0.7
147.90273	0.4
149.05960	15.2
150.96852	0.8
155.04726	0.4
161.01175	0.5
162.03090	0.5
163.03868	0.6
172.95224	2.0
173.98479	0.6
174.05499	1.5
177.05434	84.4
186.05461	0.8
189.00626	0.4
190.96281	0.8
193.00206	0.5
215.04977	0.5
230.30453	0.5
237.02715	0.5
238.03841	0.9
238.10744	1.6
240.05278	0.6
248.02084	0.5
255.06729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65231	0.4
56.01316	0.3
56.04972	0.6
56.96505	2.2
57.07015	12.2
60.41343	0.3
72.04433	80.8
72.99805	2.0
79.28725	0.3
88.02143	100.0
89.02489	0.4
109.01111	0.4
123.78120	0.4
155.44763	0.4
165.07338	0.6
182.06331	13.0
220.41922	0.3
238.12543	13.5
252.08148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96529	0.7
57.07017	1.0
59.03136	13.0
61.01059	15.9
61.25855	0.7
62.98979	4.9
69.06989	4.0
71.08557	1.3
73.04673	13.7
75.02213	1.1
75.02602	17.5
77.00515	3.5
77.04160	59.3
78.98465	1.1
79.02084	21.3
81.00021	2.0
81.06967	5.0
91.05724	100.0
92.10903	1.7
92.63432	0.9
93.03655	39.4
95.01583	10.3
95.05215	0.9
96.99524	1.4
100.05730	1.2
100.57751	0.8
105.07285	11.0
109.06777	4.3
111.04738	1.3
114.07336	1.6
115.09354	3.5
116.05256	0.9
117.07272	1.9
133.10413	42.8
150.96841	1.5
151.11464	7.6
156.11964	1.4
198.18419	1.0
215.18196	11.8
238.19798	3.6
251.20946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0913
Annotation	1-O-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
60.51559	0.1
65.03867	1.5
66.49510	0.1
71.33615	0.1
87.18129	0.1
91.05409	17.7
92.10302	0.3
95.04877	0.2
119.04900	47.1
120.05239	0.7
128.67949	0.1
143.79414	0.1
143.90996	0.1
145.81044	0.1
147.04393	100.0
148.04695	1.3
154.20271	0.1
185.07002	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	239.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72019	0.2
55.05431	0.2
56.96486	0.4
57.03370	0.3
65.03856	1.5
82.07677	0.2
82.61728	0.2
89.03835	0.9
91.05402	18.2
95.04887	0.9
98.97507	2.2
104.29824	0.2
105.03330	3.7
110.97509	0.2
116.98576	1.4
117.03348	1.7
119.04891	50.5
120.05205	0.2
125.06031	0.2
128.98549	1.6
134.31494	0.2
134.99593	1.0
145.02779	2.9
146.99626	1.3
147.04385	100.0
148.04703	0.8
149.05913	0.4
152.04115	0.2
165.00653	0.3
170.99727	0.2
177.00656	0.3
177.05447	2.5
178.05814	0.4
189.00679	0.9
198.18517	0.2
203.03864	0.3
221.08089	0.3
239.08873	0.4
239.12445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08228	0.9
54.81658	0.9
55.01583	1.1
55.01814	18.4
55.05450	12.7
56.96500	12.2
57.03375	34.2
59.04928	4.7
61.02855	13.3
65.40349	0.9
69.03348	32.0
70.06509	1.3
71.01260	5.9
73.02828	95.0
73.06466	57.7
74.41853	0.9
76.47057	0.8
80.20758	1.0
81.03301	1.2
85.02347	1.5
85.02827	33.9
87.04382	6.6
97.02823	24.6
98.97509	67.4
99.04372	1.5
101.05956	8.1
103.03870	4.2
109.02824	1.8
110.07126	1.9
112.07495	1.1
115.03879	28.1
116.98567	87.8
127.03870	2.1
131.51549	0.9
133.04921	36.2
134.06000	4.4
134.99623	100.0
140.00151	1.2
145.04979	1.1
148.76450	1.0
149.01207	1.2
152.07065	5.8
153.00679	32.4
156.97408	1.1
158.01213	15.4
162.05518	1.2
169.08543	16.5
169.47408	1.0
174.14954	0.9
174.98453	4.0
175.98531	1.0
176.02191	3.6
177.00652	12.2
178.21523	0.9
187.09642	5.6
195.01738	12.6
205.10695	1.7
211.50410	1.0
223.11678	4.5
240.05333	1.4
257.34491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33169	0.3
58.06535	29.0
60.08077	1.4
69.50564	0.3
70.06503	5.3
72.08068	0.8
81.03345	0.4
84.08068	13.8
85.06448	0.4
98.05978	0.3
98.09618	2.0
100.11172	0.4
104.10680	27.9
116.07024	1.5
126.05547	0.5
126.06587	2.0
126.09093	0.5
128.10672	5.6
144.10211	2.2
152.10721	0.5
154.22501	0.4
158.64285	0.3
168.10175	2.2
180.93988	0.4
196.09645	7.5
213.15924	0.7
214.65410	0.4
241.15422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
58.06535	26.9
59.68483	0.3
70.06512	4.1
72.08077	0.4
74.57553	0.3
75.62614	0.3
84.01603	0.3
84.08068	14.2
88.20328	0.3
97.56567	0.3
98.09610	2.0
98.97521	1.9
100.11140	0.6
114.05520	0.3
114.36422	0.3
114.56278	0.3
116.15176	0.3
116.98581	2.5
126.05462	0.8
126.09122	0.4
128.10661	4.9
134.99612	1.6
140.96252	0.3
144.10168	2.1
163.34715	0.3
168.10181	1.5
196.09665	8.5
213.15971	0.7
241.15417	100.0
242.15742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	1.7
56.96495	1.5
57.07009	13.3
58.02895	11.0
67.05437	0.8
69.06976	1.5
70.06553	0.7
71.08534	3.2
74.75916	0.7
88.07561	6.4
91.42097	0.7
91.48087	0.8
98.97493	6.1
99.97830	0.9
100.07560	0.8
100.11189	1.3
102.09113	15.5
102.09740	1.2
116.10657	5.6
116.98553	8.9
117.98849	1.2
118.96702	8.1
130.12276	1.5
133.99048	1.3
134.99612	9.7
135.99947	3.2
142.15898	4.9
153.00717	2.8
154.96474	2.7
177.98012	5.0
239.33232	0.8
242.24733	100.0
242.28287	7.9
243.25044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0875
Annotation	Lumichrome
Peak:m/z	Relative Intensity
51.30862	0.6
51.79754	0.5
56.96504	0.7
67.45609	0.6
73.52024	0.6
98.97521	1.3
100.11176	3.7
100.14628	0.8
103.05391	1.6
116.04861	0.8
116.98566	1.4
118.06472	1.4
118.98187	1.1
118.98983	1.7
130.06458	4.7
134.39471	0.6
134.99611	1.6
136.99214	1.0
137.00102	0.9
144.00214	0.7
145.07597	16.9
152.07715	0.7
157.06328	3.5
159.14893	2.8
170.07117	14.9
172.08662	87.7
174.10213	1.1
190.09781	3.6
197.08194	1.2
198.06599	32.0
200.08168	7.0
214.51955	0.7
216.07657	65.7
218.09190	3.8
235.78886	0.7
243.08731	100.0
243.20746	0.7
244.07114	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.3
54.81599	0.3
55.02923	0.5
56.98197	0.3
57.03375	3.3
59.04919	1.9
71.04913	2.5
72.93687	0.6
73.02822	0.4
84.04448	0.3
86.09605	0.3
90.94691	0.3
96.05584	0.3
98.97493	0.6
99.04391	1.4
110.03475	19.9
117.05448	1.3
117.64923	0.4
124.05051	2.2
127.06126	29.7
128.04526	100.0
150.27167	0.3
152.04567	1.9
166.06100	0.7
169.07133	0.4
170.05566	0.5
226.08469	0.4
243.10661	0.5
262.41318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.6
55.02937	0.7
55.93471	0.3
56.96495	0.4
57.03371	3.0
57.41573	0.3
59.04928	1.6
62.25975	0.3
69.03343	1.8
71.04914	3.4
72.93715	0.3
73.02824	1.7
81.03329	1.6
84.04427	1.5
96.05601	0.3
98.97549	0.7
99.04382	3.3
100.97178	0.3
106.96284	0.3
109.03970	1.6
110.02377	4.6
110.03478	18.9
116.98614	0.4
117.05466	3.5
119.01810	0.4
124.05025	1.6
127.05009	28.8
127.06125	27.5
128.04527	100.0
128.62300	0.4
140.04536	0.5
152.04532	1.8
169.07237	0.4
170.05666	0.8
203.73932	0.4
209.58858	0.3
215.11134	0.3
244.09250	0.7
248.12387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81962	0.3
57.11518	0.2
67.43511	0.2
79.45895	0.2
79.81629	0.2
82.99751	0.3
83.62196	0.3
99.14455	0.2
101.00812	7.9
119.01875	100.0
120.01974	1.1
124.02391	0.4
137.02931	57.7
138.03009	0.5
139.03352	0.4
140.00720	0.3
142.02376	0.3
142.03470	10.6
143.01836	0.3
150.47577	0.3
160.04533	5.1
161.02921	11.7
161.04109	0.4
178.01024	0.6
179.03973	32.3
180.04106	0.3
184.04535	1.4
202.05472	1.8
203.04015	0.6
204.57202	0.2
220.02081	0.5
221.01555	0.4
221.05064	2.2
262.03125	1.9
263.02896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0926
Annotation	Cytarabine
Peak:m/z	Relative Intensity
55.36103	0.2
57.03364	0.4
59.79437	0.2
69.04470	1.5
70.02861	0.3
70.06504	1.6
71.01307	0.2
72.11880	0.2
73.02804	0.3
77.98975	0.3
83.06018	1.3
84.04420	2.1
84.08050	0.5
85.02875	0.3
94.03956	0.4
95.02377	3.6
103.75999	0.2
112.05038	100.0
113.03455	2.7
113.05412	0.4
116.07039	1.3
126.02403	0.4
129.10231	0.3
135.20590	0.3
141.04802	0.4
153.73053	0.3
226.11911	0.5
244.07619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.227
Annotation	N-(2-HYDROXYETHYL)DODECANAMIDE
Peak:m/z	Relative Intensity
51.58648	1.4
55.05439	2.7
56.04958	2.4
56.96483	1.7
57.07011	23.7
58.06527	11.6
65.63976	1.5
67.05441	1.6
70.06503	8.6
70.68827	1.5
71.08531	2.7
72.08063	7.1
72.93687	10.1
78.91158	1.7
81.06970	1.9
82.82766	1.9
85.10108	2.1
86.05998	39.4
88.07546	3.6
90.94733	8.3
95.08506	2.0
95.09885	1.5
100.07550	53.6
102.96792	9.8
107.08546	2.1
108.95771	2.6
118.03429	2.0
118.08578	2.9
120.97829	19.7
125.96053	1.9
134.99544	2.4
138.98933	21.7
139.57774	1.9
154.13765	1.8
156.99944	10.1
162.00580	2.2
167.97102	3.5
185.15268	2.3
194.65259	1.7
226.21616	100.0
244.20467	2.1
244.22693	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91418	0.5
52.07490	0.5
53.00238	0.8
55.05444	1.0
55.93461	0.6
56.04962	0.6
56.96481	2.5
57.07009	21.1
57.50402	0.5
58.06533	26.6
61.49950	0.5
62.05993	3.1
71.08544	9.5
72.08051	3.8
76.07558	12.7
85.10090	3.3
90.94724	1.2
94.05551	0.6
102.96809	4.5
108.95792	1.0
112.05036	0.9
114.40938	0.6
116.98566	0.9
119.01865	0.7
120.97885	4.5
138.98915	7.5
156.99966	2.6
161.01176	0.7
165.12599	0.6
167.97145	0.8
181.00061	0.8
190.98607	0.6
199.00984	0.7
210.10080	0.7
226.25159	2.5
244.26286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59184	1.2
55.05458	1.0
55.93473	10.6
56.96498	26.1
57.03378	1.5
57.62907	1.3
58.06504	1.8
59.87067	1.0
69.03342	3.3
70.06509	10.2
71.92899	1.7
72.08062	1.9
72.93696	35.0
73.76610	1.4
78.78354	1.2
80.04928	1.6
80.92062	1.2
81.09132	1.3
83.04873	1.8
84.04407	2.2
84.08063	10.5
85.02817	2.2
86.09611	1.7
88.64745	1.3
89.93946	2.8
90.94743	29.5
97.02804	6.0
98.97487	7.8
100.07534	5.4
100.11153	1.7
102.96785	7.1
107.95007	1.4
108.95797	19.1
109.02853	1.4
112.11162	9.7
113.03415	6.4
113.69644	1.5
113.96284	4.7
116.07049	1.5
116.98565	8.1
119.01873	5.6
120.97841	13.0
124.07573	1.7
125.96049	3.1
127.03867	2.9
127.04979	1.8
128.98642	1.5
131.97400	2.6
134.05998	1.6
134.99620	9.7
137.02972	2.0
137.67836	1.4
138.98920	16.8
142.03197	7.1
149.96083	19.1
150.96857	2.5
153.00641	1.6
156.99918	3.0
157.99231	1.4
162.00441	1.7
162.05426	6.2
167.97127	31.7
172.97691	9.2
181.09729	9.5
190.98712	9.4
196.06361	2.0
200.07014	2.6
222.04388	2.8
236.02199	2.4
240.05405	2.5
245.09894	100.0
245.23167	4.5
254.03455	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1384
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
54.81937	2.6
55.01817	3.4
55.05453	100.0
55.93452	7.0
56.96499	4.0
57.03374	29.1
58.94997	2.5
59.04912	3.5
59.60666	2.6
59.74080	2.6
67.05425	23.1
68.41552	3.1
69.03338	5.9
69.06970	11.9
70.05177	2.6
72.93699	40.4
74.23248	3.0
79.05408	27.8
81.06984	25.1
83.04904	6.3
83.08540	52.7
89.93991	3.1
90.94761	50.3
91.05461	3.3
92.10842	3.7
93.06953	4.6
95.08567	3.1
97.10094	87.3
102.96834	23.7
107.08530	24.6
107.95001	3.1
108.95814	17.3
113.03444	4.7
120.97867	36.4
123.07963	4.3
125.09573	50.4
131.97385	6.2
138.98920	48.8
146.05898	3.0
149.96062	19.1
157.00009	14.5
167.97137	28.4
172.97633	7.2
181.45331	3.0
189.11195	30.1
190.98849	5.4
199.00992	5.5
222.55824	2.9
227.12671	22.9
245.13808	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.17649	0.5
53.00267	0.6
53.03886	0.7
54.69474	0.4
54.82129	0.5
55.05451	1.3
55.93466	5.3
56.96500	6.0
57.03372	2.4
61.02846	0.8
67.05412	1.2
69.03338	4.0
69.06988	22.4
69.08450	0.5
70.06525	0.6
71.04909	1.3
71.92937	1.3
72.08017	0.7
72.93702	23.0
73.02820	2.4
73.91769	0.5
73.94505	0.7
79.05419	2.4
79.69067	0.6
81.03316	1.4
81.06972	1.4
83.04893	1.0
84.08081	0.8
85.02818	5.5
86.09628	100.0
87.04408	0.7
89.93962	0.9
90.94750	21.7
91.05406	2.5
93.06982	2.5
97.02839	4.8
98.97504	5.0
99.04396	0.8
102.96807	3.6
105.06982	1.1
105.93468	0.8
107.04916	0.6
107.08543	0.9
107.95022	0.9
108.95812	10.1
111.04327	0.7
111.08071	0.6
113.03485	1.2
113.96339	3.4
116.04962	0.7
116.98564	6.6
117.03286	0.7
118.06739	0.6
120.97854	7.4
121.10074	1.0
123.94514	0.9
125.96065	2.8
127.03871	1.4
127.52029	1.1
128.98547	3.2
131.08566	0.9
131.97377	5.1
132.10147	2.4
134.05997	0.8
134.99617	3.3
135.05836	0.6
136.52565	1.4
137.02885	0.7
138.98933	8.8
141.51761	1.3
142.14001	0.7
143.00146	1.0
146.99632	6.0
147.04381	0.8
148.52571	1.0
149.09627	1.0
149.96088	11.6
150.52286	3.5
150.96851	1.2
153.00583	0.7
157.00003	2.7
158.99686	0.7
160.07588	0.7
161.01216	3.0
162.05467	16.4
162.52226	1.0
167.97116	20.4
172.97668	6.6
177.00697	2.4
180.99886	0.7
182.06306	1.1
186.05464	2.3
190.53589	3.1
190.98740	6.3
199.18036	0.7
201.00626	0.8
204.53279	0.7
208.14594	0.6
213.53902	7.6
219.01746	2.3
220.02875	1.1
222.54451	1.2
225.07043	2.9
236.02240	5.8
237.02824	6.8
238.03809	2.5
245.09827	1.2
245.18591	4.6
254.03369	6.8
256.04907	2.9
264.01740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.17640	0.3
54.81902	0.3
55.01793	0.3
55.05449	0.6
55.93458	1.6
56.04959	0.3
56.96503	0.7
57.03380	0.3
57.05754	0.4
58.06521	0.4
65.03844	0.4
66.09600	0.2
67.05435	0.6
69.06606	0.6
69.06985	17.7
70.06505	0.4
71.04893	0.5
71.92934	0.4
72.93700	6.2
79.05416	1.2
81.06976	1.8
82.11049	0.3
83.04900	0.6
84.04446	0.3
84.08081	0.3
86.09627	100.0
89.94009	0.6
90.94739	6.6
91.05406	16.1
93.06961	0.6
95.04889	0.5
97.02807	0.4
98.97549	1.4
99.08014	0.4
102.96809	1.8
105.07010	0.5
105.97134	0.3
107.08541	0.7
107.94996	0.4
108.95802	2.9
109.06536	0.3
113.03429	0.4
113.05957	0.3
113.96353	0.5
116.98578	1.7
119.04929	0.5
120.97819	2.8
125.96082	0.4
129.10251	0.4
130.06471	0.6
131.00208	0.3
131.08543	0.5
131.97398	1.5
132.10165	1.4
133.12814	0.3
134.99577	0.5
138.03961	0.3
138.98926	3.7
140.07094	0.4
145.10146	0.3
147.04395	1.7
149.09605	0.6
149.96074	3.8
156.99979	0.7
162.00478	0.5
167.10693	0.5
167.97136	4.9
168.97469	0.3
172.97746	1.4
177.00745	0.4
181.00076	0.3
190.98807	1.5
191.10739	0.4
197.02121	0.3
199.18018	0.4
209.11732	0.4
229.83261	0.3
245.13675	2.4
245.16370	0.4
245.18527	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	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03882	0.4
53.77161	0.4
55.05454	1.7
55.93459	3.3
56.96499	0.7
57.03384	0.3
67.05411	0.7
69.06984	1.9
70.06518	0.5
72.08046	0.5
72.93703	10.6
73.61150	0.4
79.05418	2.7
81.06961	0.9
83.04893	1.0
84.08064	0.6
86.09629	100.0
90.94757	8.8
91.05408	3.8
93.06985	1.8
97.02843	0.4
97.06438	0.5
98.97528	2.1
100.61481	0.4
102.96816	3.7
105.06973	0.7
107.08582	0.6
108.95821	4.0
109.06445	0.6
113.03483	0.5
113.96358	1.7
116.98591	0.7
119.01894	0.9
119.04922	1.0
119.08532	0.7
120.97864	5.7
125.96102	0.9
131.08524	0.6
131.97409	1.7
132.10152	3.0
133.10097	1.8
134.99655	0.6
138.98907	6.0
146.06027	0.7
147.04382	3.6
149.96069	4.7
150.96906	1.0
157.00018	2.4
160.89861	0.4
161.02890	0.5
167.97116	8.1
172.97707	2.4
177.00696	0.7
182.77223	0.4
190.98804	2.1
197.71574	0.5
199.01083	0.7
199.17978	0.5
211.09322	0.6
245.18539	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	246.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.1
55.05445	3.6
56.96500	6.7
57.03346	0.7
64.33836	0.7
65.03864	0.9
67.05425	22.7
69.03336	0.9
69.06977	1.4
71.04908	41.3
72.93680	0.8
74.81691	0.8
79.05408	19.2
79.05861	1.0
81.06974	15.4
83.04895	6.0
85.02821	1.0
85.06467	1.6
87.04387	2.8
90.94742	1.1
91.05405	63.7
93.06969	16.1
95.04897	10.6
95.08530	3.5
97.02826	1.5
97.06445	1.9
98.97528	4.1
105.03336	20.6
105.06976	32.0
107.04899	3.3
107.08521	10.7
109.06494	3.9
116.98543	1.3
117.03349	1.4
117.06995	1.2
119.08532	16.6
121.06387	0.7
121.10107	6.7
123.08021	1.8
124.07542	0.9
125.05965	5.8
129.06985	1.7
130.06480	0.9
131.08539	12.6
133.06509	8.1
133.10095	100.0
134.99635	1.6
135.04391	1.5
142.07820	1.5
145.02827	1.0
145.10110	4.2
147.08026	10.5
147.11673	25.0
149.01166	1.1
149.09601	11.7
149.13257	1.4
151.07544	1.0
151.11159	9.3
157.10095	4.0
158.63728	0.8
161.01215	1.5
161.05916	0.8
163.03900	3.2
164.92729	0.9
165.12720	4.0
175.11143	27.9
177.00693	0.9
177.05492	1.3
181.12268	0.9
186.99078	1.2
193.12196	39.8
205.00075	1.6
210.04045	0.9
211.13283	15.3
219.01750	0.9
219.06525	1.1
229.14374	1.1
237.02814	0.9
258.38654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01929	0.5
53.03860	0.5
55.01793	0.6
55.05456	4.6
57.03373	0.9
57.06993	1.3
63.54144	0.4
64.33401	0.6
65.03835	0.4
65.38170	0.4
67.05087	0.5
67.05428	12.5
69.06991	14.3
71.04901	2.3
79.05405	9.9
81.06975	14.5
83.04894	4.6
85.06465	4.6
91.05405	33.0
92.10285	0.7
93.06972	16.5
95.04891	8.4
95.08531	2.5
97.06448	1.0
102.59243	0.5
105.06976	32.6
107.04887	1.2
107.08537	6.4
109.06468	18.2
109.10122	3.5
113.05894	1.1
117.06929	0.6
119.08533	9.2
121.10104	0.9
123.08033	1.1
123.11655	2.0
125.05954	3.1
127.07510	1.1
129.06989	0.5
131.08525	9.8
133.10095	100.0
134.10445	1.1
137.05928	5.9
144.99748	0.6
147.11662	17.3
149.09616	2.0
151.07533	2.7
151.11156	29.3
155.06976	8.8
157.10110	1.2
165.12711	3.2
169.08559	0.6
175.11163	6.3
191.87520	0.5
193.12210	24.0
193.13911	1.1
211.13264	19.6
214.92958	0.5
223.54953	0.5
234.60422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49115	0.7
52.49120	0.7
52.95755	0.6
53.00239	0.6
57.06766	1.0
57.07014	14.4
58.06546	0.7
70.06512	20.0
71.08546	1.7
73.54301	0.6
74.41262	0.6
85.10088	1.2
88.07051	1.2
88.07557	28.1
92.10299	0.8
92.56836	0.7
102.09122	7.6
106.08617	12.4
184.68573	0.7
202.21526	1.1
202.87669	0.8
228.23183	9.0
246.24237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69516	0.6
53.03877	0.8
55.05444	4.3
56.04960	3.6
56.96500	45.6
57.03365	0.9
67.88846	0.7
69.03333	3.2
69.06975	4.0
70.02864	0.7
70.06148	0.7
70.06505	14.9
71.04904	1.0
72.08064	13.3
73.02808	1.6
73.06459	2.9
74.02345	0.8
81.03342	1.2
83.04867	1.4
84.04426	20.2
84.08060	1.5
85.02820	4.2
85.04777	0.7
86.09624	21.5
87.03111	1.3
87.09965	1.5
88.03909	3.0
89.30273	0.7
92.10265	0.9
97.02814	3.3
98.97523	7.8
98.98042	0.8
98.98414	0.8
99.21120	0.6
100.07520	1.0
102.05479	1.1
104.10677	1.2
109.02836	0.8
110.02380	1.0
110.97501	7.4
112.07504	1.1
114.05468	1.1
116.01588	0.9
116.07029	1.1
116.98583	5.1
118.08582	1.6
119.02704	0.7
122.05918	1.0
128.97676	1.2
128.98557	19.4
129.10191	2.9
130.04988	0.7
132.10167	1.3
134.99580	3.2
145.01701	0.9
146.99625	29.2
147.03267	3.0
156.98012	3.9
158.08046	1.0
163.02783	0.9
164.05049	0.9
165.00661	8.4
165.04323	4.9
174.99100	47.6
175.99608	0.8
177.00621	3.1
183.11252	1.4
187.10594	0.7
191.03842	1.0
193.00160	100.0
201.12282	1.5
211.01227	14.4
216.01759	0.7
219.01570	1.5
227.06641	7.5
229.11952	1.3
237.02704	3.0
247.04709	8.4
265.05817	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	247.1287
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
55.05449	11.3
56.04975	7.8
56.96494	4.7
57.41147	0.8
65.62374	0.7
69.03355	3.5
69.06987	0.8
70.06522	1.7
71.04897	1.2
72.08067	100.0
74.02335	1.5
78.16573	0.7
81.03338	1.0
83.04871	0.7
84.04425	99.2
84.08065	3.4
85.02821	3.2
86.09614	7.2
88.03921	1.5
92.10870	1.5
97.02808	1.5
98.97504	5.5
98.98430	1.2
100.07524	1.5
102.05470	3.9
109.02855	1.1
112.07571	1.4
116.98568	3.0
118.08598	26.8
120.08083	1.1
127.03871	1.1
130.04956	10.8
133.12009	0.7
134.99620	1.0
138.09105	1.2
142.04964	1.3
153.00745	0.9
156.10207	5.3
172.95241	0.9
177.00700	0.8
184.09641	20.5
201.12190	0.9
212.09122	1.6
227.06839	0.8
230.10136	6.2
237.02731	1.8
247.12782	11.8
263.01401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Shizukanolide C
Peak:m/z	Relative Intensity
53.00232	0.8
55.01815	3.5
55.05451	4.3
56.96506	5.1
65.03857	3.8
66.19825	0.8
67.05428	15.7
69.06995	7.3
71.08571	0.7
72.08054	0.8
79.05411	18.4
81.03342	1.1
81.06982	11.4
83.04932	1.0
83.08524	1.1
85.40976	0.9
90.82140	0.9
91.05409	18.1
93.06972	7.8
95.04892	4.5
95.08569	7.0
95.09058	1.0
98.97518	6.7
103.05404	1.5
105.06966	15.3
107.04918	2.1
107.08543	100.0
109.06438	8.6
109.10095	9.3
115.05372	1.0
116.10909	0.8
116.98564	6.2
117.06981	3.8
119.04954	0.8
119.06053	2.0
119.08555	1.8
127.03885	1.0
128.06212	1.1
129.06998	5.5
131.04922	2.1
131.08530	7.9
133.10081	1.8
134.99638	3.8
135.04404	1.1
135.08028	2.2
135.11670	6.5
141.05452	5.1
141.06982	1.2
142.07819	1.0
143.08559	4.2
145.06508	1.3
145.10080	1.2
149.06085	1.0
155.08521	7.9
157.10182	3.3
158.99597	1.2
159.08029	1.7
159.11642	6.4
168.09306	2.0
172.08849	3.7
173.09583	1.0
173.13020	1.0
177.00729	4.4
177.05408	1.4
183.11667	17.4
185.13235	1.8
187.11169	18.8
189.08984	1.4
201.00693	1.0
201.04298	1.8
201.12744	5.3
211.11018	1.4
215.05922	1.2
219.05316	6.9
229.12193	18.4
237.80658	0.9
243.05426	3.4
247.13295	12.8
248.03781	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1326
Annotation	Lumisantonin
Peak:m/z	Relative Intensity
53.03906	6.3
55.01800	3.8
55.05450	18.4
56.96500	6.8
57.07022	5.8
58.68898	3.4
59.04928	4.6
63.14778	3.1
65.03865	4.6
65.70853	4.3
66.76301	3.2
67.05422	85.9
69.06985	14.7
72.08076	5.4
79.05404	83.6
81.06973	52.0
83.04908	5.3
83.08550	5.2
91.05407	85.5
92.64491	3.3
93.06992	23.0
95.04893	15.8
95.08527	99.1
97.06466	6.2
98.98392	6.5
105.03358	18.6
105.06950	38.8
107.04908	8.7
107.08543	100.0
109.06432	7.0
109.10110	24.4
111.04381	6.2
114.37948	3.8
116.98621	4.1
117.06953	43.9
119.08546	23.1
120.08059	8.0
121.10059	5.2
123.04429	8.3
125.05936	4.8
125.09586	15.1
129.06975	17.2
131.08513	54.1
135.04399	5.0
135.07990	6.3
135.11670	5.4
141.06909	4.4
142.65585	3.4
143.08580	5.7
145.06448	5.8
145.10107	18.2
146.05968	6.4
147.11681	17.6
155.08522	4.2
159.08061	7.0
159.11644	8.8
163.07538	5.2
165.12698	9.1
173.09496	4.6
173.13239	8.1
177.09096	15.6
183.11696	18.3
187.11140	26.6
201.12711	17.9
219.13860	5.7
229.12224	14.2
229.14404	17.9
232.41502	3.6
247.13120	32.9
266.48593	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	249.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96238	1.3
56.96502	26.5
57.03380	0.7
63.48952	0.6
65.26608	0.6
69.03335	3.8
70.06514	1.6
71.95164	0.8
72.08057	1.2
73.02827	1.3
73.99776	0.6
78.04855	0.6
84.04433	1.4
84.08071	0.7
85.02824	4.6
86.09628	7.0
87.04373	0.8
97.02831	2.9
98.97511	92.2
110.07125	1.0
116.98567	100.0
127.03839	0.7
128.98578	3.0
132.10225	1.0
134.99626	84.7
135.99863	0.8
140.00131	0.8
146.99596	1.1
147.03279	3.8
149.01225	2.9
149.02937	1.1
149.06563	5.9
153.00671	17.5
158.01228	1.4
158.99677	0.8
165.04314	5.3
167.02324	0.8
174.99104	3.2
185.06557	1.3
189.00632	2.7
189.04282	15.5
193.00200	7.5
203.07941	1.1
207.02130	1.9
207.05379	55.2
224.81868	0.8
225.06442	5.1
230.06953	1.3
231.07147	1.0
249.02704	1.4
249.08292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.6
53.35346	0.4
55.05454	4.0
56.96497	0.6
66.25147	0.4
69.03369	0.5
70.06516	4.2
70.07126	0.4
71.34892	0.4
72.08075	43.1
77.03843	9.4
79.01745	0.5
79.05401	0.7
85.02832	0.5
89.10736	0.6
95.04893	2.7
98.05973	2.5
98.97544	0.6
99.09142	0.5
105.03345	22.3
106.06510	2.6
107.04906	3.5
117.03379	0.5
119.04902	0.9
122.05945	0.4
123.04391	5.6
127.08667	1.1
133.02826	100.0
134.05991	21.2
134.06744	0.5
145.02844	1.8
146.03210	2.4
146.06030	6.3
146.55753	0.5
147.04390	2.3
150.05498	4.0
151.03868	2.1
161.02306	1.1
162.05486	8.8
163.03911	0.9
163.05807	0.6
176.10640	0.7
177.05359	1.9
178.05833	2.6
204.10185	48.2
209.36655	0.6
213.30380	0.5
218.87338	0.5
221.12845	13.3
232.09689	7.7
249.12315	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35985	0.2
56.80429	0.2
56.96504	1.1
64.33212	0.3
64.80646	0.2
65.03851	0.4
67.05408	0.3
79.05434	0.3
85.07589	10.9
86.05991	11.6
91.05408	10.0
93.06971	0.5
98.97546	1.1
103.08636	6.2
107.04887	0.4
107.08563	0.3
112.11200	0.3
116.98575	1.1
119.04895	30.0
120.05265	0.3
121.06428	0.4
130.06511	1.2
134.37389	0.2
134.99582	0.3
135.04347	0.2
147.04387	100.0
148.04733	1.7
163.03891	1.2
186.05539	0.3
232.09599	0.5
237.02866	0.4
249.12482	1.9
249.14801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1482
Annotation	Parthenolide
Peak:m/z	Relative Intensity
52.49651	1.7
53.03875	4.5
55.01785	3.2
55.05446	16.6
56.96494	2.2
57.06997	3.5
62.71644	1.8
65.03859	2.7
67.05427	50.2
69.06982	14.3
79.05402	59.6
81.06966	36.8
82.03057	2.1
83.04883	2.9
83.08501	2.7
85.15039	2.1
87.28248	1.9
91.05404	74.6
93.03320	3.5
93.06975	32.7
95.04333	2.1
95.04859	15.7
95.08542	21.7
97.06455	2.5
100.52762	2.0
103.05412	5.3
104.76383	1.9
105.03352	3.2
105.06963	55.4
107.04874	13.0
107.08521	26.8
109.06496	4.6
109.10093	22.9
115.05326	4.3
116.06214	3.1
117.06961	34.7
119.08577	15.3
121.06475	3.1
121.10079	5.5
123.04343	11.6
125.05927	2.9
125.09577	34.2
128.06184	20.3
129.06946	33.9
130.07713	4.5
131.08528	49.2
133.06464	5.0
133.10115	14.1
135.04346	17.8
137.05972	2.6
141.06966	2.3
142.07753	14.9
143.08548	62.9
144.09303	8.6
145.06375	3.3
145.10103	28.0
145.75708	2.3
146.10878	10.0
147.08003	3.7
149.05962	11.2
155.08554	8.8
156.09315	4.0
157.06401	3.0
157.10095	37.4
159.11655	12.2
163.07477	2.4
170.10863	13.1
171.07941	15.9
171.11684	3.2
175.07489	4.5
175.14740	4.8
185.09602	4.7
185.13196	49.9
189.09091	4.5
195.11670	2.5
198.10361	3.3
203.10551	4.6
213.12730	27.7
231.11499	3.5
231.13750	100.0
249.14809	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	Heliannuol C
Peak:m/z	Relative Intensity
51.15272	0.4
52.79832	0.6
53.03878	1.1
55.01810	0.6
55.05452	7.2
55.41828	0.5
57.06985	0.7
57.88682	0.6
59.04929	1.0
65.65812	0.6
67.05429	10.0
69.06979	2.9
70.06500	0.6
71.04901	0.8
73.91818	0.5
77.03835	0.8
79.05408	12.4
81.06982	6.4
81.44303	0.6
88.07561	0.7
91.05408	30.4
93.06965	5.9
95.04903	1.4
95.08536	3.0
97.06481	0.9
102.96806	1.1
103.05389	2.5
105.03309	1.2
105.06966	16.7
107.04871	4.0
107.08506	4.4
109.06459	0.6
109.10092	5.5
115.05405	2.6
116.06197	4.9
116.83242	0.6
117.06975	8.6
119.08546	7.8
121.10068	1.4
123.04318	2.4
123.50853	0.5
125.05975	1.0
128.06210	0.8
129.06976	8.3
131.08533	33.2
133.06458	1.2
133.10080	5.0
135.04382	4.3
141.06993	0.9
142.07712	0.7
143.08560	5.4
145.10132	4.6
147.08005	3.4
149.05943	2.8
149.09586	0.7
157.10115	4.3
159.08023	25.7
159.11623	3.5
161.09593	2.4
170.10931	0.9
171.08015	2.2
175.07498	1.3
177.09071	84.0
178.09554	0.7
185.13217	2.5
189.09154	1.1
189.12692	0.7
193.08565	2.5
205.12202	0.7
213.12688	4.1
213.14638	0.9
231.13744	15.9
249.14796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
55.05444	2.0
57.07015	86.6
70.68845	1.0
81.06971	1.2
85.77419	1.1
88.52287	1.0
92.10218	1.6
137.05960	28.2
142.42529	1.1
159.08025	1.5
189.00040	1.6
193.12210	85.5
249.18436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07541	0.2
56.96225	0.2
56.96490	1.2
57.03365	1.2
67.01546	0.1
67.01781	2.2
69.03357	0.3
72.08065	0.2
79.60833	0.2
81.03303	0.2
85.02831	0.8
94.03977	0.4
96.74227	0.2
97.02801	0.3
98.97526	0.4
105.27444	0.2
107.04922	0.2
116.98595	0.5
119.03477	0.9
124.62163	0.2
131.00159	0.2
134.11655	0.2
134.99612	0.3
136.06160	100.0
137.04555	0.9
137.06578	0.3
149.01236	1.2
149.32521	0.2
150.96858	0.2
167.02145	0.4
168.10527	0.2
250.09245	7.2
250.11639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96488	0.1
59.12780	0.1
60.76324	0.1
65.03861	0.4
86.05991	1.4
87.04383	0.7
91.04821	0.4
91.05402	10.6
98.97533	0.2
117.97356	0.2
119.04893	37.7
129.12485	0.2
147.04385	100.0
148.04710	0.4
177.05469	0.3
250.10585	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0692
Annotation	gamma-Glu-Cys
Peak:m/z	Relative Intensity
54.81521	0.4
56.04968	4.3
56.96495	1.9
57.03362	0.6
58.99516	5.3
68.49667	0.3
69.03351	0.6
72.08073	0.6
73.02839	0.5
76.02138	13.8
80.04916	0.7
84.04422	100.0
85.02811	3.1
86.98978	4.5
88.10130	0.5
91.28764	0.4
98.97516	1.8
102.05460	3.2
105.00021	7.7
111.39597	0.4
114.03705	0.7
116.98549	0.6
119.01775	0.5
120.32870	0.4
122.02668	21.8
130.04956	21.4
134.99648	0.6
136.06143	1.7
142.03191	10.2
146.99562	0.5
149.01204	0.9
162.07773	0.5
167.02112	0.5
176.48795	0.4
188.03714	5.3
219.07181	0.7
234.04219	4.2
251.06880	7.8
263.12283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94413	2.1
54.57890	2.4
56.96490	14.9
67.05408	3.6
73.50021	2.5
74.65176	2.1
83.93280	2.2
86.09613	2.6
91.05370	4.1
92.10828	3.1
93.06963	2.7
98.97495	2.7
105.06963	5.9
109.06439	3.7
117.03321	5.2
130.48735	2.2
133.10071	6.1
134.10373	3.2
138.06299	2.6
145.02831	16.9
146.06012	30.1
149.01173	4.4
177.05368	10.6
220.02739	16.6
233.11378	20.7
238.03798	20.6
239.04103	10.0
241.15558	2.4
248.02199	4.4
251.12466	100.0
266.03244	16.6
267.03561	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	251.1276
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
55.01815	9.7
55.05440	2.1
56.96498	7.3
58.26613	1.0
67.05425	6.6
68.99717	3.8
69.06995	8.8
71.04912	1.6
79.04416	0.8
79.05396	4.5
81.03362	1.0
81.06962	5.3
83.04895	1.6
90.47992	0.9
91.05396	4.9
92.10933	3.3
92.14703	1.0
93.06992	12.7
95.04887	4.3
95.08545	12.2
97.06464	4.5
102.94627	0.9
105.06976	6.3
107.04906	6.1
107.08546	12.4
111.04389	2.3
111.08006	1.2
113.78987	1.1
117.06959	5.4
119.08530	14.3
121.06453	4.9
121.10099	8.7
123.04394	10.3
123.08024	6.6
125.05946	6.5
131.08536	4.6
133.06404	1.0
133.10086	6.3
135.04410	2.4
135.08003	5.4
135.11679	6.9
137.02330	5.6
139.03813	1.1
139.11069	1.2
144.09344	1.6
145.06458	1.9
145.10107	7.9
147.04391	2.0
147.08028	2.2
149.01201	1.7
149.05980	16.7
151.11078	1.3
153.05476	10.3
159.11670	19.4
161.05902	1.0
161.13258	1.2
163.03856	1.9
163.07516	6.5
163.11122	11.5
165.05258	1.1
169.08626	2.1
177.12697	14.0
181.12184	8.2
182.03340	1.1
182.07220	1.1
187.11180	11.5
191.07114	1.0
191.10622	4.0
193.95203	1.0
205.12216	84.9
215.10577	5.4
223.13274	5.1
233.11678	20.5
251.12732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06361	0.4
56.07967	0.5
56.96484	0.6
64.92949	0.4
65.00558	0.5
67.09191	0.5
70.02863	2.1
70.06516	1.9
73.02791	0.7
77.58429	0.5
84.04396	2.2
85.02824	0.6
94.03989	1.3
99.00732	3.1
114.38000	0.6
116.07027	1.3
119.03488	3.9
121.05056	11.4
132.91838	0.5
135.06636	9.6
136.06154	53.4
137.04521	3.1
137.06514	0.8
148.06155	20.0
160.06151	8.6
162.07710	100.0
164.05719	2.0
180.40036	0.6
188.05638	34.6
192.05112	37.1
206.06662	9.0
216.05026	0.8
234.06143	7.2
252.07202	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85904	0.7
56.96507	8.3
58.47915	0.8
60.36694	0.8
65.03849	1.3
67.02982	0.7
68.77865	0.7
72.08044	1.0
73.48712	1.0
74.02353	26.5
74.80250	0.7
76.06096	0.8
84.95963	1.6
85.02822	1.0
88.03918	39.4
91.05408	100.0
97.02814	2.1
97.99123	1.2
105.03358	1.0
105.57854	1.0
116.03421	11.6
116.98619	1.0
119.04885	1.5
134.04456	29.3
144.14102	0.9
147.04381	4.3
163.97609	1.2
234.07607	3.6
252.08690	1.3
252.12271	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.109
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
52.39192	0.4
55.05444	0.6
55.53207	0.4
56.96504	4.7
57.03366	0.7
69.03345	0.5
83.04901	0.6
84.04417	0.5
84.79328	0.4
85.02815	0.7
90.09102	0.6
91.05387	0.6
97.02804	0.8
98.97509	2.0
99.04427	0.5
99.97167	0.4
116.98559	2.1
121.68461	0.5
127.03829	0.5
131.00180	0.6
134.99666	1.0
136.06169	100.0
136.30069	0.5
137.04575	1.0
137.06075	0.4
145.96664	0.6
147.04433	0.9
150.96869	1.0
155.66191	0.5
163.97682	2.0
164.01741	0.5
181.02888	0.7
181.98816	0.6
205.98688	1.8
237.02606	0.6
252.10895	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	252.109
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
50.70605	0.2
50.93320	0.1
57.03383	0.3
63.08006	0.2
64.33570	0.2
69.03364	0.3
71.04897	1.0
73.02843	1.7
81.03332	0.4
94.03987	0.7
99.04389	1.6
117.05427	2.2
119.03526	1.2
136.06168	100.0
137.04564	1.1
252.10909	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66652	0.2
54.35165	0.2
56.96489	1.4
75.01365	0.2
79.05409	2.0
91.05393	1.9
92.06188	0.4
92.63049	0.2
95.04907	0.3
97.02850	0.3
98.97476	0.4
102.04601	0.2
103.05416	2.9
105.03352	0.4
105.06982	3.2
118.04094	1.2
119.04886	3.1
120.05679	2.4
131.04930	0.2
132.05679	5.4
133.02817	2.0
133.06450	3.2
135.07979	0.3
146.03601	0.4
147.04391	2.2
148.05176	15.5
148.30937	0.2
153.99060	0.2
160.05171	5.0
161.05937	0.8
163.07513	38.7
163.97751	0.2
171.70839	0.2
176.04622	4.0
191.07002	100.0
192.07347	0.4
234.11198	0.2
252.12234	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	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.9
53.91483	0.6
55.01797	1.9
55.05456	12.0
55.09603	0.7
57.03363	7.1
61.02589	1.0
61.02854	12.5
69.03011	1.0
69.03353	25.4
71.04893	1.2
73.02819	4.7
73.06468	35.2
81.03336	8.7
83.48461	0.8
85.02826	100.0
91.03853	3.4
97.02824	19.0
99.04391	4.0
109.02867	7.5
110.26616	0.8
114.32237	1.0
118.44357	0.9
127.03870	13.4
145.04936	10.9
163.05911	3.5
210.81317	0.9
234.69264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40304	0.6
55.05457	5.9
56.96490	1.3
59.79148	0.6
61.18855	0.7
67.05448	0.8
69.06995	0.8
71.04911	20.6
76.56395	0.7
77.51640	0.5
79.05397	3.8
81.06977	1.2
83.04903	7.1
85.02826	1.3
85.03364	0.6
87.71173	0.6
89.05953	1.0
91.05405	14.1
93.07003	1.0
95.08502	1.0
101.05948	3.5
105.06984	8.0
107.08541	100.0
109.06468	8.8
116.98536	0.9
117.06976	0.7
119.06124	1.9
119.07021	2.8
119.08540	25.2
119.28376	0.7
135.08023	54.9
221.98203	0.7
230.06943	0.7
249.82253	0.7
253.14159	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	253.2157
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
50.27732	3.9
53.03902	8.3
53.07196	4.6
55.05455	89.8
55.29438	4.2
56.96503	20.5
57.03374	8.3
57.07008	22.1
64.32970	5.4
67.05431	72.2
69.06996	90.0
71.04902	9.4
79.05403	29.2
81.06973	100.0
83.08541	43.7
85.02821	11.0
91.05403	23.7
93.06963	43.9
93.55817	5.2
95.04839	6.7
95.08541	89.0
97.06476	8.3
97.10107	22.8
105.06995	28.5
107.08532	29.9
108.17136	4.9
109.10118	31.6
111.07991	6.0
118.37086	4.7
119.08534	30.2
121.10089	28.1
133.10083	23.7
134.99648	8.0
135.11653	29.4
138.69258	5.3
147.11653	11.0
149.13190	7.9
161.13246	12.1
217.19466	21.0
253.21625	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	255.086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81563	0.2
63.02316	0.8
63.77637	0.2
79.05413	2.3
89.03836	13.7
91.05414	0.4
95.04896	0.7
98.97551	0.3
107.04890	4.3
116.98598	0.3
117.03327	17.3
119.04925	0.3
135.04384	41.3
136.04745	0.3
145.02820	22.3
146.03201	0.3
147.04448	0.4
149.30341	0.2
152.51372	0.2
155.74277	0.2
163.03867	100.0
164.04222	1.5
176.11301	0.2
212.44006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50044	0.4
53.03897	0.5
55.01801	0.5
55.05455	1.3
56.96500	2.4
57.03373	1.3
57.07013	0.8
67.05429	1.1
69.03362	0.8
69.07008	2.5
70.06528	0.8
70.41027	0.5
70.47952	0.5
71.04912	1.3
72.46037	0.5
75.91347	0.6
79.05402	4.9
81.07000	3.1
85.02844	0.6
87.04380	0.6
89.03831	13.7
89.04310	0.7
91.05400	0.8
93.06993	2.0
95.04906	1.1
95.08546	0.7
97.06463	1.2
98.97515	3.2
105.06996	0.6
107.04875	5.7
107.08502	0.8
116.98574	3.9
117.03328	16.8
117.04079	0.8
119.08560	0.6
120.10341	0.5
121.02803	3.9
123.05515	0.6
130.06538	2.3
132.95828	2.3
133.10078	0.8
134.99622	3.0
135.04376	43.9
136.04736	0.6
145.02806	21.8
146.99675	0.7
150.96852	8.8
151.69504	0.5
160.91211	0.5
163.03859	100.0
177.00722	2.5
191.97179	2.3
192.06540	3.0
209.98276	2.1
237.02808	0.7
267.86603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	5.2
54.81267	4.7
55.01809	6.3
55.05455	58.6
56.96490	10.2
57.03363	9.4
57.07008	27.2
58.18830	4.0
59.03634	4.3
65.03857	8.7
67.05427	72.0
69.03342	23.0
69.06992	100.0
70.06509	9.6
71.01241	7.5
71.08530	8.1
79.05411	88.3
81.03371	36.4
81.06980	67.7
83.04890	9.7
83.08545	7.5
83.55788	4.9
85.02823	31.3
87.04362	7.0
91.05398	35.9
93.06977	59.9
95.04892	31.0
95.08520	32.5
97.02827	49.5
97.06462	8.7
98.97479	6.7
105.06941	24.4
107.04908	52.5
107.08540	29.1
109.06523	6.0
109.10088	11.2
111.04404	6.6
116.98537	9.9
117.06948	20.6
119.08535	9.1
121.06451	20.0
121.10084	10.0
123.07952	6.1
123.11658	5.9
131.08488	11.0
131.54724	5.0
132.95781	22.4
133.10072	8.3
134.99619	10.1
135.07999	8.2
135.11711	6.6
135.78973	5.1
137.09604	7.0
139.03943	8.7
149.02342	6.3
149.13268	10.5
150.96867	39.8
151.11166	8.4
159.11690	7.9
163.00551	5.1
177.12782	35.3
190.64638	4.8
191.14224	22.1
195.13806	11.8
209.98132	7.4
219.13795	8.4
232.04802	7.1
237.14790	23.4
258.59760	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	255.2315
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
51.92287	4.0
53.47833	3.9
54.81878	3.9
55.05450	58.1
57.03380	4.1
57.07015	62.2
58.69769	4.4
67.05431	20.7
69.06992	100.0
69.65319	4.2
71.08550	24.7
79.05414	19.4
80.53589	4.4
81.06971	30.2
83.08537	49.9
83.61655	4.1
85.10130	6.8
93.06975	29.8
95.08542	22.3
97.06461	8.9
97.10114	24.7
107.08535	24.6
109.10091	8.2
109.92868	4.3
119.93112	4.3
121.10098	20.1
123.11681	7.4
132.74106	4.4
135.11647	24.9
139.11082	6.8
149.13248	7.5
153.77176	4.9
163.14743	7.5
166.90710	5.0
167.14302	4.4
170.46846	4.6
219.21103	16.6
237.22148	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	256.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82159	2.3
55.05439	13.7
56.96488	3.5
57.03363	4.7
57.06995	5.0
58.03655	2.2
62.06015	100.0
63.68909	2.0
67.05422	32.2
67.17283	2.4
69.06981	14.2
72.93682	4.8
79.05396	17.9
81.06970	37.7
83.04868	5.2
83.08525	4.4
89.05971	3.8
90.94739	10.9
91.05391	4.4
93.06974	21.1
95.04863	3.1
95.08537	12.9
97.00748	3.7
97.06467	12.8
105.06948	4.1
107.08509	11.2
117.06973	4.2
132.95807	16.1
133.10095	4.2
139.01805	31.2
150.96852	72.5
161.52232	2.8
162.03351	14.3
167.97083	3.3
168.97902	3.1
172.95200	3.4
191.97066	11.0
193.15892	11.8
209.98201	10.0
221.15219	5.5
238.17967	56.1
239.16315	5.2
256.19000	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	256.2633
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
51.19291	0.5
51.66872	0.4
53.00240	0.6
54.75003	0.4
55.05458	0.6
57.07011	12.0
60.08083	0.7
61.04277	0.4
67.05412	0.9
69.06998	0.8
71.08556	4.2
72.04423	2.6
81.06936	0.8
85.10098	0.9
88.07551	2.5
89.05987	0.5
95.08524	0.9
100.07541	0.5
100.55463	0.4
102.09109	6.4
108.96474	0.6
116.10680	9.7
130.12215	3.8
144.13809	0.8
204.48640	0.5
228.23201	0.9
256.26297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00190	1.2
53.03885	1.3
53.69972	1.1
54.81903	1.8
55.01809	26.8
55.05442	16.0
56.96492	1.6
57.03380	11.3
57.07000	8.4
62.06023	15.2
63.06332	1.3
64.98403	1.3
67.05425	33.3
69.06987	10.2
71.04900	10.8
71.08546	19.3
74.09629	2.0
79.05406	33.2
81.06974	20.5
82.07285	1.8
83.04909	18.8
83.08537	6.8
85.02827	2.2
85.06458	2.9
87.04358	2.1
91.05433	10.7
92.46059	1.5
92.64368	1.7
93.06972	12.7
95.04879	7.4
95.08541	22.3
97.00748	2.4
97.06460	100.0
97.10085	3.1
99.04331	1.8
99.08014	9.8
104.28828	1.4
105.06979	10.6
107.08524	10.1
109.06444	7.9
109.10114	19.0
111.04371	1.7
111.08028	2.5
111.58218	1.3
113.05946	34.5
115.11143	3.6
119.08538	16.8
121.00732	3.1
121.10056	2.9
123.08026	22.3
125.05966	22.4
127.11150	26.6
131.08568	4.8
133.10107	9.0
135.11610	2.1
137.09569	7.5
139.01820	21.4
143.06996	5.7
150.96809	2.6
155.10603	2.0
156.13811	6.1
157.54520	1.6
161.13213	7.9
162.03372	9.0
165.09021	1.5
174.19791	1.5
175.14801	8.5
179.14243	3.6
184.13210	2.5
185.13124	1.8
193.15837	89.8
197.15329	5.9
203.14272	2.9
221.15324	57.9
239.16327	28.1
239.18359	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	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.19723	3.5
53.70065	3.9
55.05453	21.0
56.96508	8.2
57.03374	19.5
57.07005	6.5
61.63677	4.1
61.82412	4.2
67.05431	8.9
69.06987	23.8
75.91001	4.3
79.05405	7.7
81.06971	34.4
91.05385	39.4
93.06970	11.7
95.04935	5.4
95.08537	26.3
97.00739	21.5
97.67046	4.7
98.97498	8.4
105.06999	37.6
107.08509	5.1
108.12273	5.6
109.06492	4.8
109.10107	8.7
117.06985	51.6
119.08525	20.1
121.00774	22.1
122.10754	6.3
129.06956	32.6
131.08536	42.0
134.99608	21.9
139.01801	100.0
143.08513	31.1
144.02298	22.6
145.10088	67.3
157.10103	21.7
159.11667	63.5
162.03369	50.3
169.10115	5.1
171.11621	9.3
173.13206	18.1
183.11703	10.7
185.13219	57.2
221.82980	5.3
239.17958	19.1
257.18927	65.6
257.26663	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
54.81474	3.4
55.05447	13.7
56.96520	5.2
57.03371	19.2
57.06996	5.0
57.91555	2.7
67.05435	27.4
67.61018	3.0
69.06980	12.3
71.04881	3.5
74.70023	2.6
79.05406	16.1
81.06991	25.8
83.08547	7.0
91.05405	17.3
93.06967	6.3
95.08543	18.8
97.00725	7.4
97.06463	3.6
99.08114	3.0
104.70582	3.0
105.06982	19.2
107.08543	4.9
115.05381	4.4
117.06976	56.7
119.08517	16.5
121.00715	24.4
128.06181	6.7
129.06961	45.9
130.07648	4.3
131.08524	54.2
133.10144	3.5
134.99625	11.7
139.01791	100.0
141.06929	5.9
142.07802	5.8
143.08522	31.5
144.02370	14.9
144.09279	3.9
145.10104	74.2
147.11642	3.0
152.89120	2.7
154.72395	3.0
155.08543	11.1
157.10132	30.7
159.11668	74.9
161.79367	3.2
162.03374	38.2
169.10123	13.4
171.11682	18.0
173.13223	22.9
183.11678	18.1
185.13205	87.2
197.13222	6.5
239.17871	23.6
257.18912	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73473	0.4
56.04987	0.5
58.06527	0.7
60.08091	12.6
67.39624	0.4
71.07301	3.4
82.18767	0.4
84.08077	0.5
85.14185	0.7
86.09624	32.1
93.25511	0.4
94.75661	0.5
98.98408	5.7
104.10674	100.0
109.78505	0.6
124.99954	41.3
143.01027	0.6
184.07309	14.9
185.76137	0.4
235.63498	0.5
249.04776	0.4
258.10959	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	258.11
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
58.06516	0.5
60.08091	13.3
65.21001	0.4
70.94208	0.5
71.07291	3.5
72.32625	0.5
72.87362	0.4
86.09629	28.6
98.98394	4.6
104.10677	100.0
110.19492	0.6
124.99961	38.2
128.32976	0.5
143.01030	0.7
174.03435	0.5
184.07324	13.7
253.04704	0.5
258.10944	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	258.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81632	0.4
55.05437	0.5
56.96498	3.6
60.08076	0.9
65.03850	0.7
67.05417	0.5
69.03342	0.5
70.06497	0.9
72.08073	0.5
73.02820	0.8
79.52976	0.4
81.03353	0.5
83.06010	1.9
84.08064	0.6
85.02832	1.8
86.09605	3.9
89.91129	0.5
91.05403	9.0
91.06647	0.4
95.04942	0.6
95.06018	25.6
95.71494	0.4
97.02806	2.4
98.97521	1.6
100.11160	1.8
104.10664	14.1
105.03282	0.7
107.04845	0.6
109.71355	0.4
110.97027	0.4
112.08667	31.1
116.98540	0.9
119.01807	1.0
119.04888	31.1
124.99963	4.8
130.06473	2.0
133.02789	0.9
134.99640	1.8
135.04404	1.7
138.06606	1.0
143.00156	0.9
147.04379	100.0
161.01167	1.7
162.05453	2.2
163.03868	2.8
182.54697	0.7
184.07341	2.3
186.05325	0.7
189.00739	0.5
200.17429	0.4
214.55484	0.6
220.04541	1.0
227.17392	0.7
238.05455	1.0
240.07031	0.6
240.11320	0.9
258.12460	14.4
261.45831	0.5
266.05093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17434	0.3
53.08920	0.4
56.04971	2.8
60.08087	1.8
66.12313	0.3
72.83635	0.4
73.43598	0.3
76.56342	0.4
84.04429	29.6
84.08067	100.0
86.09621	4.6
86.96382	0.4
97.02818	0.5
98.98392	0.6
101.10725	2.1
102.05453	0.5
104.10677	12.7
111.09158	0.9
112.07584	0.5
124.99966	6.3
129.10201	62.1
130.04985	4.6
167.11739	0.7
184.07332	1.9
195.11292	3.0
223.10675	0.6
240.13405	1.6
258.11029	3.0
258.14432	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	258.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93573	0.6
55.05449	2.0
57.06742	1.0
57.07010	27.9
58.06528	4.1
59.19077	0.8
60.00122	0.8
60.04466	0.7
62.06017	15.6
64.33120	0.9
65.94962	0.8
69.06970	1.6
71.08551	10.1
85.10098	5.0
91.16103	0.7
99.47904	0.8
109.72115	0.7
167.07262	6.2
172.95253	1.0
240.26813	10.8
258.27859	100.0
259.12216	1.2
259.28076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37590	0.7
55.19688	0.8
55.92890	0.9
57.06735	1.1
57.07010	28.4
58.06518	3.8
62.05758	0.8
62.06017	14.0
71.08553	12.2
85.10094	5.6
117.52236	0.9
128.88498	1.0
139.79115	0.8
142.70552	1.1
167.07277	1.6
240.26860	9.3
258.27859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0925
Annotation	Spongothymidine
Peak:m/z	Relative Intensity
53.03895	0.4
53.16157	0.3
55.01803	1.7
55.93459	1.9
56.96500	2.4
57.03379	3.7
59.04937	3.1
60.08093	0.4
61.02844	1.5
69.03007	0.5
69.03354	10.3
69.06989	0.3
70.02872	13.4
70.06503	3.5
71.01289	0.6
71.04902	0.7
71.92928	0.5
72.08068	0.3
72.93703	1.7
73.02829	0.3
73.06469	0.7
74.02359	4.5
75.04385	1.3
77.08337	0.3
77.78379	0.3
81.03339	0.5
84.04431	9.0
84.08068	2.3
85.02814	3.2
86.09634	1.8
87.04390	3.8
89.05937	0.4
90.94752	0.8
95.02386	1.2
95.04852	0.3
96.00787	7.2
97.02825	3.3
98.97511	4.7
98.98447	0.4
101.05966	4.6
104.10689	5.3
105.11024	1.7
111.67931	0.3
112.07546	5.7
112.08694	0.6
113.03438	100.0
114.03864	0.4
115.03896	0.5
116.98568	5.6
124.99979	2.4
127.04977	0.6
129.05411	0.7
130.04985	2.0
130.08617	6.7
132.08063	0.4
134.99628	8.5
147.06485	2.4
149.96098	0.5
150.09097	0.6
150.96866	0.6
151.97684	0.3
153.00671	2.5
161.06694	0.3
162.05444	0.5
163.08180	0.4
167.02275	0.4
170.05913	0.8
172.95323	0.7
173.02925	0.4
176.02258	0.5
176.26543	0.3
177.00633	0.7
184.07404	0.6
184.37903	0.4
188.01331	0.7
191.03951	2.4
195.01743	1.4
196.09621	0.6
258.11035	0.6
259.10315	1.9
259.12863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85916	0.3
53.03876	0.5
56.96490	1.9
57.03135	0.4
57.03373	4.6
59.04924	2.8
62.13513	0.4
64.33845	0.4
65.03828	0.4
69.03344	1.0
69.53696	0.4
70.03995	4.6
70.06499	1.9
70.45332	0.4
71.02387	2.2
71.04900	4.1
72.05545	1.9
72.08075	0.7
73.02809	0.6
73.06510	0.5
84.04436	4.8
84.08073	8.9
85.02816	3.1
86.09650	1.6
88.05007	0.6
97.02837	0.9
97.96740	0.5
98.03464	15.3
98.97507	5.6
99.04385	2.1
100.05031	3.0
104.10688	4.8
104.61640	0.4
105.11000	1.0
109.05582	0.4
115.06124	100.0
116.98569	9.4
117.05446	1.8
124.99938	2.0
126.02983	2.0
129.10188	3.3
134.99622	11.4
138.05486	0.8
143.05617	83.0
153.00629	2.1
158.01257	0.8
170.02628	0.8
177.00638	0.7
195.01723	2.1
241.11919	0.8
259.10303	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	259.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25877	0.7
56.04964	1.6
56.96494	8.5
57.03371	4.8
59.04923	1.4
59.85983	0.8
64.33813	1.2
67.05419	1.7
67.69897	0.8
69.03350	1.3
70.03989	2.5
70.06489	1.8
71.02375	1.1
71.04921	1.9
71.69799	1.1
72.05544	1.9
73.02838	1.9
74.02348	67.2
79.67843	0.9
80.35810	0.9
80.58203	1.1
84.04424	100.0
84.08070	8.1
85.02803	2.5
86.09620	2.0
95.04913	1.4
97.02824	4.9
98.03480	14.5
98.97514	27.6
99.04387	2.4
100.05066	1.7
100.85265	1.0
102.05492	1.6
104.10658	1.9
105.11038	4.0
113.03426	1.6
113.05955	1.7
115.06123	87.3
116.98566	38.7
120.08076	1.0
127.04981	4.2
129.10184	1.3
130.04962	23.9
130.08583	17.5
134.98601	1.5
134.99619	41.7
143.05617	81.5
150.09091	18.1
153.00670	12.9
154.60500	0.9
158.01237	2.1
169.08641	1.3
170.02548	1.5
176.02231	1.9
177.00639	7.1
195.01727	7.7
196.09627	10.7
241.11789	1.5
242.10237	1.7
259.10538	2.5
259.12881	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	259.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25877	0.7
56.04964	1.6
56.96494	8.5
57.03371	4.8
59.04923	1.4
59.85983	0.8
64.33813	1.2
67.05419	1.7
67.69897	0.8
69.03350	1.3
70.03989	2.5
70.06489	1.8
71.02375	1.1
71.04921	1.9
71.69799	1.1
72.05544	1.9
73.02838	1.9
74.02348	67.2
79.67843	0.9
80.35810	0.9
80.58203	1.1
84.04424	100.0
84.08070	8.1
85.02803	2.5
86.09620	2.0
95.04913	1.4
97.02824	4.9
98.03480	14.5
98.97514	27.6
99.04387	2.4
100.05066	1.7
100.85265	1.0
102.05492	1.6
104.10658	1.9
105.11038	4.0
113.03426	1.6
113.05955	1.7
115.06123	87.3
116.98566	38.7
120.08076	1.0
127.04981	4.2
129.10184	1.3
130.04962	23.9
130.08583	17.5
134.98601	1.5
134.99619	41.7
143.05617	81.5
150.09091	18.1
153.00670	12.9
154.60500	0.9
158.01237	2.1
169.08641	1.3
170.02548	1.5
176.02231	1.9
177.00639	7.1
195.01727	7.7
196.09627	10.7
241.11789	1.5
242.10237	1.7
259.10538	2.5
259.12881	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	259.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24192	0.2
52.67905	0.2
56.04962	0.4
56.96507	0.3
59.04940	0.2
67.05404	0.3
69.03351	17.0
69.06985	2.3
70.02876	0.5
70.06512	1.0
82.06494	1.1
84.04423	0.4
84.08069	9.0
85.02843	0.2
96.00792	0.3
97.02838	0.2
98.97542	1.7
105.11012	0.3
112.07553	89.7
113.03439	5.6
116.98550	1.7
126.58308	0.2
127.05003	1.4
130.08607	100.0
131.40125	0.2
134.99622	1.4
153.00677	0.3
157.18465	0.2
165.05609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81476	0.7
56.91362	0.6
56.96507	4.9
56.96730	0.6
57.07011	18.8
58.06502	1.0
59.00731	0.6
63.94049	0.6
70.06140	1.1
70.06509	23.7
70.33458	0.6
71.08533	5.5
82.33971	0.5
84.97340	0.6
85.10074	0.6
88.07549	31.4
95.08542	1.0
96.57508	0.8
98.97507	6.2
102.09107	9.2
104.59638	0.7
106.08609	13.1
109.10091	0.8
115.09161	0.6
116.98560	6.6
120.36808	0.6
134.99625	3.8
147.11617	0.6
154.93213	1.0
169.41913	0.8
172.94252	3.0
183.49240	0.8
190.95186	5.5
195.01701	0.9
213.96942	0.9
242.24728	8.8
260.25775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53651	0.2
59.20179	0.2
72.30410	0.2
85.32903	0.2
98.97507	1.2
101.00819	1.2
116.98552	1.6
119.01867	11.5
120.01988	0.4
134.99680	1.2
137.01955	0.4
137.02933	6.9
153.00818	0.6
158.99782	0.4
177.00917	24.6
178.00938	0.4
182.99902	0.3
184.97702	0.3
191.62277	0.3
193.04153	0.4
195.01854	1.0
201.00954	1.1
217.04044	3.9
219.01962	34.5
220.02115	1.1
225.00656	1.8
236.98816	0.4
237.03021	0.4
237.98717	2.3
243.01917	3.6
261.03000	100.0
262.03125	2.8
266.20242	0.2
270.38187	0.2
284.04614	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41689	2.7
55.01801	17.4
55.05453	33.9
56.04952	4.7
56.45412	2.7
56.96497	3.7
57.07006	16.9
58.99520	26.8
60.94785	2.7
61.01076	12.9
62.00610	3.0
66.48608	2.8
69.06989	3.6
69.96574	2.9
70.06482	4.9
73.01055	14.4
74.00572	12.6
74.02320	3.6
76.02123	4.6
76.03937	3.8
78.82194	2.7
79.05401	13.5
81.06979	35.7
81.07808	3.3
83.08533	17.4
84.04418	20.4
85.01039	13.1
86.98981	18.5
88.02129	15.8
92.10209	4.8
95.08526	12.6
98.09599	3.4
98.97520	6.3
99.02615	13.7
100.11194	48.8
107.08517	7.1
112.03902	13.6
112.11191	26.5
115.05699	6.4
116.01642	50.4
116.05276	33.9
116.98602	13.1
124.11184	5.5
130.04959	14.5
134.99574	6.4
137.59624	3.2
141.07271	20.0
144.01118	4.7
158.08719	5.3
158.09953	100.0
158.11729	52.9
162.02147	5.6
163.14796	3.1
167.06870	4.1
189.00848	3.7
213.40706	3.8
235.02823	3.9
244.09950	31.5
261.12631	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	19.2
56.96496	33.5
57.03379	8.8
58.06538	20.4
67.05408	13.2
69.06977	11.4
69.19444	7.9
72.08065	14.9
79.05393	9.2
81.06995	10.4
84.08063	97.5
87.44051	7.7
91.05398	68.6
92.10899	16.0
93.06979	46.5
93.50691	7.5
95.04856	11.1
95.08515	34.3
98.97525	96.8
101.07104	11.3
109.06458	9.6
112.11185	100.0
113.07083	11.6
116.98585	97.2
117.03340	38.9
117.31659	7.9
119.04884	54.9
121.06483	21.2
121.19409	8.4
123.08003	38.6
123.39571	9.9
128.98582	9.9
129.13843	21.7
130.06494	77.7
134.99631	63.4
137.02869	10.1
143.39214	9.4
145.02859	54.3
147.04353	73.3
147.17654	9.0
148.05017	9.8
151.07501	17.9
155.11772	57.6
155.35529	8.9
158.99594	15.1
161.04143	19.7
163.03900	16.4
175.03865	11.2
176.04686	11.5
177.00630	33.4
177.05460	43.5
187.24794	10.4
189.57063	13.0
234.36717	9.1
239.04146	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	262.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	0.6
56.04733	0.9
56.04975	19.1
57.06770	0.8
57.07009	15.2
57.44872	0.6
58.06535	12.3
60.04440	3.9
60.08097	0.6
67.66515	0.6
68.04962	0.7
68.29278	0.6
71.08530	3.6
74.05989	15.9
76.56132	0.6
81.45761	0.6
85.10098	2.8
86.05984	2.7
88.07554	76.1
100.14747	0.6
104.07008	1.3
118.08607	10.7
122.08107	7.2
127.03195	1.0
171.17572	0.6
214.21626	79.4
244.22723	1.4
262.23709	100.0
263.24170	1.0
279.68573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84644	0.3
57.07009	11.1
62.98119	0.4
67.70514	0.4
70.06509	26.1
71.08545	8.2
74.89629	0.4
84.08047	1.7
86.09598	0.5
88.07555	27.5
92.10305	0.5
102.09122	1.6
106.08614	5.5
111.07951	0.4
114.09109	9.5
118.08625	4.9
130.08574	0.6
131.04906	0.4
132.10167	35.3
150.11230	28.2
150.12453	0.9
186.18491	2.9
200.20065	2.6
218.21083	10.6
236.17271	0.4
262.23706	100.0
263.24075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27766	1.0
57.06780	1.0
57.07010	17.7
57.32057	1.2
58.06524	5.1
64.33739	1.3
66.89108	1.0
68.68783	1.0
70.06147	1.7
70.06509	41.3
71.08552	9.1
72.08054	1.0
88.07549	57.1
95.23272	1.3
102.09119	29.5
107.06696	1.1
118.54439	1.1
150.11328	1.3
156.17445	1.8
200.20059	97.2
233.96811	1.2
244.22652	4.3
262.23706	100.0
274.06192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1273
Annotation	Trixol
Peak:m/z	Relative Intensity
51.98760	2.2
53.03894	5.6
55.01811	5.3
55.05448	11.0
56.01737	2.6
56.96489	6.8
60.99469	2.8
65.03855	4.5
67.05411	15.8
69.03331	16.0
72.08047	7.2
79.05396	19.3
79.97472	2.7
80.25006	2.7
81.06959	19.3
83.04896	12.0
84.08068	3.8
85.02816	6.3
91.05411	36.6
93.06975	21.0
95.04904	21.4
95.08516	6.9
95.89553	2.8
97.02787	4.9
97.06462	32.2
98.97478	6.4
103.05409	12.4
104.99218	6.6
105.06976	31.4
107.05001	3.9
107.08538	26.0
109.06425	12.6
109.10139	3.6
111.04388	6.2
112.11156	7.4
114.09113	5.5
115.05382	5.1
116.98555	4.2
117.03304	3.7
117.06947	12.7
119.04889	17.4
119.08537	24.9
121.06477	26.7
123.04357	5.5
123.07955	3.9
128.06154	5.8
129.06972	11.2
131.04880	4.3
131.08498	19.8
132.08057	3.1
133.02847	3.5
133.10109	7.0
134.99605	4.4
135.08005	100.0
137.05963	7.5
139.07504	17.5
141.06969	6.0
142.07779	14.0
143.08525	20.4
145.02730	3.8
145.06474	3.8
145.10048	5.7
147.04387	33.8
147.08006	6.5
149.05936	5.1
151.03809	4.1
154.69637	3.6
156.09325	23.0
157.10162	5.0
158.07176	4.8
159.08031	27.6
159.11684	16.3
161.09541	5.2
163.03853	7.2
163.07481	19.9
166.07741	4.2
168.09207	4.6
169.06406	5.5
169.10139	3.9
171.11649	15.7
172.08760	15.8
173.09576	12.9
173.13205	4.1
175.07507	3.8
177.05455	11.7
181.10107	3.5
184.08725	14.6
185.09592	4.7
187.11174	34.2
199.10979	22.4
203.10623	17.2
212.08281	6.2
212.54160	3.6
215.10608	5.8
217.12160	15.8
227.10623	3.6
233.11594	10.2
234.02148	5.4
235.13165	6.0
242.98434	4.0
245.11691	22.7
263.12747	19.6
275.90527	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	263.1274
Annotation	Complicatic acid
Peak:m/z	Relative Intensity
53.03899	2.4
55.01805	23.4
55.05440	4.6
67.05423	8.8
67.54755	1.6
69.06976	3.0
76.28706	1.7
79.05410	37.3
80.55875	2.2
81.06972	17.5
82.22135	1.9
83.04900	3.8
91.05402	40.1
92.10320	4.0
93.06967	27.0
95.04876	12.7
95.08520	21.8
97.06438	3.2
104.99236	2.1
105.03304	2.7
105.06979	20.3
107.04902	15.9
107.08517	2.6
109.06464	11.9
111.08021	27.2
116.98526	2.7
117.06930	3.6
119.04846	3.0
119.08550	8.4
123.04380	4.4
123.08020	100.0
125.05921	12.0
127.07536	16.1
129.06938	4.6
131.08569	2.0
133.06432	9.8
135.08018	11.5
137.06023	7.3
137.09561	2.9
139.07515	30.1
143.08566	3.0
161.05956	2.9
165.09071	21.7
171.11676	3.7
179.06985	2.8
198.98660	1.9
199.11241	2.8
200.25240	2.0
217.12262	11.8
245.11609	3.0
260.87027	1.9
263.12915	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	263.1389
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.01808	0.3
56.96488	0.8
57.03371	0.3
60.92428	0.4
67.05397	0.4
70.06509	35.0
72.08055	0.9
72.93675	0.5
74.04100	0.3
81.06982	0.4
84.08060	0.8
91.05404	2.4
93.06973	3.0
95.04872	0.5
95.08558	0.7
98.97546	0.5
103.05397	7.6
104.99210	0.7
105.03407	0.4
105.06958	0.4
114.36776	0.4
116.07043	52.0
116.98563	0.5
119.01882	0.5
119.04901	0.8
120.08057	100.0
124.03867	0.3
130.06479	2.4
134.99597	0.5
145.02794	0.4
146.06001	3.3
147.04352	0.7
182.49104	0.4
190.98764	0.6
263.13867	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	263.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	0.3
56.96485	0.8
57.03365	0.3
67.05423	0.6
69.03343	0.5
70.06512	33.9
70.46638	0.3
71.04871	0.4
72.08066	2.4
79.05376	0.4
81.03340	0.5
81.06968	1.5
84.08062	1.3
85.02837	0.6
91.05410	2.6
93.06976	3.7
95.04881	0.6
95.08482	0.4
95.15976	0.3
97.02856	0.3
98.05965	0.3
98.97507	0.4
102.96950	0.3
103.05402	8.2
103.81269	0.4
104.25700	0.3
104.99225	0.5
105.06969	0.4
112.11208	0.7
116.07043	51.5
116.98589	0.6
117.03292	0.4
119.01893	0.5
119.04916	0.8
119.08488	0.6
120.08060	100.0
121.06430	0.4
121.08400	0.4
121.10083	0.5
123.08012	0.4
129.13838	0.4
130.06476	1.6
131.08589	0.4
134.99667	0.5
145.02856	1.4
145.10184	0.4
146.06013	1.4
146.99716	0.4
147.04372	3.7
157.07661	0.4
162.51726	0.4
174.05458	0.4
177.05461	0.8
192.06575	0.5
245.09378	0.4
246.11122	0.4
263.13864	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	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	1.9
55.05445	17.4
57.03363	1.3
57.07013	14.6
67.05430	100.0
69.06992	14.8
71.08540	1.8
73.52644	1.5
76.92216	1.4
78.69342	1.3
79.05405	24.7
81.06978	99.7
83.08533	9.6
84.47482	1.7
85.06476	2.6
91.05408	19.5
92.10240	2.7
93.06973	30.4
95.04858	2.1
95.08537	82.7
97.06457	8.7
97.10079	3.1
99.08009	2.6
104.99189	2.4
105.06963	12.9
107.08524	12.8
109.06478	1.6
109.10102	37.6
111.08020	2.8
114.05761	1.4
119.08527	7.3
121.10108	10.3
123.11684	14.0
133.10086	12.0
135.11688	3.5
137.13210	1.5
147.11653	6.5
149.13257	3.0
151.14757	3.2
161.13249	7.1
163.14745	2.7
165.16362	3.1
175.14838	5.8
195.08397	1.5
245.22578	20.8
263.23666	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	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05458	22.1
57.07003	13.9
58.90994	2.4
60.89075	2.1
67.05431	93.8
67.83859	2.4
69.06985	19.9
71.08580	3.5
79.05410	27.6
81.06508	4.2
81.06973	100.0
83.08524	14.2
85.06434	2.5
85.10133	2.3
87.94212	2.3
91.05408	21.4
93.06972	28.5
95.08536	91.4
97.06463	10.9
97.10117	4.8
104.99204	8.6
105.06950	11.7
107.08530	9.8
109.10114	40.8
112.69569	2.2
115.60002	2.4
119.08533	13.2
121.10094	13.0
123.11633	15.7
133.10051	17.5
135.11617	4.8
137.13268	3.2
147.11679	9.5
149.13300	2.9
151.14752	3.7
161.13232	12.3
163.14758	5.8
165.16362	4.3
175.14806	4.4
198.98949	3.0
210.84567	2.4
245.22633	23.2
263.23642	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
54.68484	4.0
55.05438	22.4
57.07002	9.8
67.05425	82.4
69.06984	8.7
71.08523	5.3
73.82791	4.5
79.05407	32.1
81.06980	100.0
83.08511	9.7
91.05398	11.5
93.07002	39.4
93.07499	5.1
95.08531	79.1
97.06483	7.7
97.10110	5.6
104.99232	11.0
105.06952	19.8
107.08529	9.9
109.10114	24.2
112.59025	5.0
119.08522	19.1
121.10062	19.6
123.11635	8.4
135.11642	7.8
138.87097	4.4
147.11674	12.1
149.13307	5.9
198.98763	7.8
221.02339	5.3
245.22516	19.5
263.23624	40.1
273.98547	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	264.054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96584	0.7
51.48792	0.5
56.96500	100.0
58.21611	0.6
67.98080	0.6
71.95169	1.4
72.95953	1.6
74.97502	0.8
75.84163	0.6
78.49567	0.6
79.05392	0.7
86.61719	0.6
87.59542	0.8
92.65081	0.7
97.99103	0.6
98.97505	13.0
116.98560	12.0
134.99632	7.4
138.29547	0.8
144.96692	0.7
153.00682	1.5
167.03740	1.6
168.23415	0.7
171.79381	0.7
173.28568	0.7
176.03815	14.4
178.05347	15.5
183.03262	4.7
192.03239	1.0
194.04825	11.0
196.06433	19.2
201.04276	6.2
204.03197	2.6
208.02850	3.6
210.04301	1.5
222.02135	1.2
222.04324	37.7
226.03844	5.1
240.05359	44.3
248.27795	0.7
264.05380	11.9
280.55188	0.7
282.06381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00618	0.9
56.04959	2.0
56.96502	2.7
57.03380	2.4
58.02888	1.3
59.03688	1.9
60.04452	1.1
61.02855	1.4
69.03334	8.2
69.06989	19.4
70.02894	1.2
70.06516	2.5
71.08544	1.4
72.04433	2.5
73.02834	5.6
75.95388	0.9
79.28336	1.0
80.04948	1.5
81.03349	1.6
81.04468	5.6
84.04439	8.1
84.08111	1.1
85.02837	14.2
86.09631	58.4
87.03139	28.5
87.04404	2.5
87.09973	4.1
88.03909	2.0
90.94737	1.3
95.08560	1.1
96.04415	2.6
96.08078	1.6
97.02833	4.4
98.09627	24.7
99.04343	1.0
100.11176	2.6
101.02298	1.1
108.04455	2.2
110.07153	1.3
110.09615	1.5
114.05484	14.4
115.03913	4.7
116.98573	1.2
119.01854	1.2
120.01955	1.3
122.07114	26.6
122.89731	1.1
123.09293	1.0
126.05500	2.6
128.10667	11.0
131.05763	24.5
132.06578	1.4
132.10175	7.1
136.11108	1.3
140.07059	1.1
140.10670	5.8
144.04807	6.6
150.96869	2.2
158.99525	1.2
164.10678	5.5
171.95467	1.2
173.02905	1.2
173.06607	1.3
174.06712	1.3
182.11714	32.4
186.11249	1.4
189.46613	1.2
191.07613	1.3
192.07748	3.9
193.00117	1.3
193.06313	1.1
200.12794	100.0
210.11264	2.2
218.13860	11.9
228.12251	32.2
238.57411	1.1
244.00876	1.1
245.04964	1.1
246.13321	45.4
264.14362	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	264.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06950	0.5
68.00900	0.7
71.08547	3.2
89.03841	8.7
91.05411	4.4
92.10334	0.7
106.04047	0.6
117.03329	40.7
119.04901	1.3
134.03625	1.3
135.04379	3.7
136.05164	5.5
145.02829	100.0
149.05968	15.0
151.07503	4.2
162.03111	2.6
163.03867	3.5
177.05438	97.3
186.05463	1.0
197.78871	0.7
207.07014	0.7
239.09195	0.8
254.01727	0.8
264.15906	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	264.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	2.6
55.05224	1.8
55.05451	29.9
56.96493	2.2
57.03380	1.5
57.07005	3.0
59.04914	1.7
60.58983	1.2
63.09191	1.3
63.79459	1.6
67.05082	1.7
67.05429	36.4
69.03351	42.9
69.06966	8.3
71.01263	3.9
71.04897	2.7
71.08522	6.6
73.02813	3.7
79.05392	7.4
81.03341	12.6
81.06976	18.7
83.04893	8.2
83.08526	9.8
85.02836	19.2
85.06451	1.8
87.04382	2.6
91.05408	10.8
93.06960	6.2
95.04903	14.7
95.08523	6.9
97.02826	100.0
97.06505	1.6
97.10121	13.1
99.04385	2.4
99.08001	6.7
99.22317	1.6
105.06971	13.1
107.08542	11.4
109.06483	2.2
109.10117	26.0
110.84399	1.5
111.04369	3.4
113.02325	3.4
115.03905	15.9
117.03304	2.4
119.08517	8.2
121.10078	2.1
123.11681	2.9
125.09560	2.4
127.03822	2.0
129.05437	3.3
133.10106	15.4
145.02820	9.7
145.04903	3.4
146.05983	2.1
147.04419	3.1
147.11621	7.6
151.11162	46.4
164.36206	1.6
165.12703	24.3
169.12195	10.3
173.11617	2.7
177.05431	10.0
181.12276	1.7
193.12230	6.9
211.13252	48.4
219.25165	1.6
220.02669	2.1
229.14339	21.6
238.03807	1.9
247.15605	2.3
251.44653	1.7
265.09402	3.0
265.73181	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1114
Annotation	Thiamine
Peak:m/z	Relative Intensity
54.03407	0.8
57.99623	0.2
58.32705	0.2
61.88411	0.2
67.31889	0.2
74.24141	0.2
80.04922	2.0
81.04456	19.9
84.91092	0.3
86.05976	0.2
87.04395	0.2
95.06003	0.2
98.05974	0.2
101.77203	0.2
104.10670	0.4
113.02898	1.0
116.48689	0.2
122.07101	100.0
123.07479	0.7
126.03683	1.7
126.90281	0.2
136.06155	0.2
144.04755	27.8
154.21530	0.2
159.53107	0.2
163.02902	0.2
166.68457	0.2
222.14653	0.2
265.11142	1.1
266.15918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01524	0.3
51.99045	0.3
53.70265	0.3
54.81735	0.3
54.86746	0.2
55.05437	0.4
56.96496	0.4
57.03358	0.5
63.60291	0.3
67.05409	0.6
69.03345	0.7
70.06500	0.7
70.90534	0.3
72.04426	0.4
72.08068	0.6
79.05408	0.4
85.30061	0.3
89.03832	7.7
91.05412	2.1
92.10117	0.4
93.06974	0.7
95.04900	1.5
95.08556	0.3
97.02839	1.3
98.97495	0.5
105.06989	1.4
107.04877	0.4
107.08520	0.7
116.98545	0.6
117.03325	36.9
117.06934	0.4
119.04893	1.4
119.08520	1.5
120.08045	0.9
121.02802	0.5
121.06468	0.6
121.08384	0.6
122.07117	0.6
123.07996	0.6
124.05195	0.6
131.08569	0.7
133.10172	0.3
134.03571	2.9
135.04381	3.4
135.08032	0.7
144.04739	0.4
145.02820	93.3
145.10060	0.6
147.04379	2.7
147.08051	0.4
149.05968	14.3
151.03967	0.6
163.03841	1.4
173.33522	0.3
175.07555	0.6
177.05428	100.0
186.05441	0.6
194.59518	0.5
203.10628	0.4
229.12338	0.4
248.09074	4.6
265.11755	0.8
265.14963	0.6
277.92810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	2.3
56.96497	4.6
64.43174	2.2
65.34621	2.1
69.03320	3.6
72.08040	6.1
83.18299	2.7
85.02817	3.9
91.05390	5.3
97.02792	3.4
98.97501	4.9
103.05409	4.5
103.63264	3.1
116.98547	5.1
119.04875	10.3
120.07235	4.3
120.08051	100.0
122.07076	4.4
134.99586	3.3
145.02806	10.9
146.05966	5.1
147.04372	12.1
162.05452	5.8
174.46649	2.7
177.05385	13.0
219.14874	3.6
232.46182	2.6
265.13025	76.0
265.15329	3.9
270.52380	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	265.1435
Annotation	Ivangulinic acid
Peak:m/z	Relative Intensity
51.44508	2.7
55.01804	16.6
55.05452	6.8
56.96503	3.9
67.05429	43.4
69.03353	4.9
69.06970	7.6
71.01804	3.0
79.05403	100.0
81.06972	48.9
82.42842	3.0
83.04919	5.2
89.31090	3.1
91.05408	73.7
92.10416	9.5
92.10918	4.8
93.06980	25.8
95.04897	16.9
95.08536	62.8
96.97556	3.3
97.06462	15.9
101.13574	2.9
103.05410	2.7
105.06962	34.9
107.04902	16.4
107.08524	19.3
109.06449	7.0
109.10093	6.9
110.07298	3.4
110.10456	3.3
111.04390	3.2
111.08039	6.8
114.97437	2.8
115.05470	4.5
116.98557	3.1
117.03322	6.2
117.06946	26.1
119.04909	4.2
119.08516	10.5
121.06451	11.9
122.07143	12.6
123.08008	33.6
125.06004	10.2
125.09615	4.5
128.06122	4.1
129.06953	5.4
131.04938	5.2
131.08511	28.2
135.04367	17.9
139.07509	7.8
141.06985	3.3
141.09048	4.7
143.08514	6.2
145.02826	30.1
145.06444	7.2
145.10081	36.5
147.04312	5.1
149.05948	3.3
151.03961	4.1
153.34235	3.6
157.10091	7.4
159.08025	8.1
159.11699	16.4
173.09570	13.1
173.13194	23.3
177.05429	40.5
183.11678	8.0
187.11226	12.7
201.09094	16.9
201.12737	23.3
205.12236	21.9
211.13541	3.6
219.13838	22.1
229.12202	16.0
247.13213	62.3
264.34659	3.4
265.14417	6.7
283.09573	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	265.1433
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
50.09423	1.3
51.45136	1.4
53.03867	1.7
54.92846	1.4
55.01805	2.6
55.05448	6.4
59.04934	36.9
67.01808	2.8
67.04743	1.7
67.05424	20.3
69.03349	9.8
69.06982	8.5
71.09431	1.4
79.05401	32.0
81.03337	2.6
81.06969	7.1
83.04903	27.1
91.05396	32.8
92.05725	1.7
93.06962	14.2
95.04913	11.8
95.08542	23.6
97.02832	28.7
103.05429	2.1
105.03306	2.4
105.06963	28.6
107.04895	6.3
107.08539	24.9
108.05676	2.3
109.06470	2.9
109.10116	3.0
109.38082	1.4
111.04394	19.0
111.08006	1.5
117.06970	20.5
119.08529	17.6
121.06482	3.6
121.10121	2.9
123.04387	7.2
123.08015	48.0
125.05930	7.8
125.09580	10.8
128.06226	1.9
129.06958	3.8
131.04901	5.9
131.08521	13.2
133.06462	16.4
133.10059	3.9
135.04424	3.5
135.08022	11.4
141.06934	1.9
141.09087	26.2
143.08569	3.0
145.02806	3.3
145.06485	13.4
145.10123	6.3
147.08052	13.3
149.05919	17.7
149.09625	5.8
151.07513	23.2
152.10640	2.4
155.08594	2.3
157.10100	2.5
159.08028	8.4
159.11662	11.6
163.07501	8.0
165.09068	24.9
167.10634	100.0
173.05939	2.9
173.13237	9.8
175.11121	11.5
177.05443	6.6
177.12737	3.4
183.11642	7.5
186.10335	1.7
187.11127	2.0
191.06979	3.1
191.14285	2.3
201.09169	2.6
201.12712	38.9
203.14288	8.1
205.12259	2.8
206.11809	2.3
219.13759	35.8
229.12283	15.6
247.13246	56.6
265.14240	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	CHEBI:69731
Peak:m/z	Relative Intensity
53.03881	7.9
53.29650	4.6
55.05458	7.7
56.96486	4.7
57.07003	9.1
58.06536	4.9
58.07340	5.1
67.05444	11.4
69.03343	26.4
70.06477	16.4
71.06840	8.3
71.95764	4.5
72.93575	6.2
79.05405	29.8
81.06986	6.8
83.04890	47.6
88.07575	17.7
89.07889	7.9
91.05415	38.7
93.06966	39.3
95.04911	8.5
95.08513	6.4
100.64629	6.0
101.85321	4.6
102.09135	5.6
103.09377	4.6
105.06970	33.0
107.08529	62.8
109.02850	11.7
109.06483	27.3
111.04409	17.6
111.08002	7.0
115.05372	5.0
117.03341	9.9
117.06972	27.4
119.08528	37.9
121.06458	59.8
122.07129	8.2
123.08053	12.3
128.06174	6.4
129.07008	5.4
131.08565	31.1
133.10081	22.6
135.08035	100.0
143.08554	11.9
144.09369	20.6
145.02795	47.0
145.06444	8.3
145.10097	9.1
147.04425	8.7
147.08032	7.0
149.05986	10.0
149.09616	24.0
158.10870	11.5
159.08003	7.8
159.11647	34.9
161.09615	9.0
163.07516	30.0
163.11130	8.5
165.08987	6.1
172.08810	7.3
173.09634	21.5
173.13197	45.2
173.52768	5.6
177.05394	54.9
185.65570	5.1
186.10410	22.6
187.11154	91.0
191.07021	20.4
200.20097	21.2
201.12718	55.9
201.20410	6.1
202.20708	34.0
211.11343	5.9
229.12260	39.9
234.29515	6.1
247.13165	49.6
264.24323	77.7
265.18686	8.2
265.24582	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.72758	3.1
53.03882	6.4
55.01797	3.4
55.05435	6.5
56.96508	5.0
57.06994	4.7
65.03852	8.3
67.05420	28.1
69.03346	37.2
69.06992	3.9
71.04920	5.6
72.08073	6.4
78.45491	3.5
78.86693	3.2
79.05384	21.5
80.04921	3.8
81.06515	3.8
81.06949	25.5
83.04900	6.8
86.03134	3.6
86.09615	5.7
88.02027	3.2
91.05413	76.2
91.40672	3.1
93.03307	6.3
93.06955	48.3
95.04906	34.5
95.08527	21.9
97.06432	5.1
105.06969	86.4
107.04877	5.0
107.08529	16.6
109.06450	30.1
109.31773	3.0
110.07083	6.6
111.04398	22.9
111.08018	4.8
113.05962	6.9
114.36761	3.8
115.05346	6.4
116.06193	5.4
116.98558	3.5
117.03326	6.4
117.06953	24.1
119.04872	8.3
119.08533	100.0
121.02813	4.7
121.06451	43.6
121.10105	14.9
122.07116	7.5
123.07996	18.0
128.06137	5.2
129.06924	25.0
131.08521	54.0
133.06448	18.8
133.10069	21.6
135.08011	67.0
137.09576	6.7
141.06958	6.8
142.07732	7.6
143.08601	26.8
144.09271	6.5
145.02818	22.0
145.06467	13.0
145.10085	33.1
147.04361	25.0
147.08055	39.8
147.11658	8.0
149.05937	6.4
149.09529	4.8
155.08484	14.5
157.10065	16.4
158.07248	28.4
158.10904	7.7
159.07997	40.4
159.11615	40.3
161.01173	5.9
161.09634	29.7
165.09055	14.6
168.09285	15.2
169.10077	3.8
171.07950	8.0
171.11710	4.6
171.79994	3.4
172.08736	16.1
173.09531	21.0
173.13252	14.3
175.07524	47.9
175.11131	21.2
177.05399	17.4
181.10048	5.8
183.11600	8.1
187.11087	23.2
189.09059	4.9
189.12669	7.1
193.08517	6.6
196.08820	7.4
199.11084	6.7
201.12738	22.3
201.32065	3.7
203.10614	27.4
211.11185	8.1
217.12204	15.8
229.12227	18.4
247.13255	27.5
265.14233	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	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
53.03884	4.2
55.01808	4.5
55.05446	32.6
55.11607	2.2
55.85622	2.2
56.96496	10.6
57.03370	2.8
65.03863	11.4
67.05427	38.0
69.03348	37.9
69.06976	6.1
70.06493	2.7
71.04897	6.1
72.08074	37.1
79.05404	30.0
81.06964	18.9
83.04900	5.0
84.04412	11.7
89.03833	6.0
90.29893	2.7
91.05411	77.3
92.10277	5.7
93.03345	5.7
93.06973	48.9
95.04893	34.9
95.08530	21.0
97.02825	24.4
97.06475	4.5
98.05978	21.2
98.97470	3.8
103.05374	3.6
105.06972	70.6
107.04904	11.6
107.08521	18.1
109.02814	4.1
109.06474	31.5
109.10110	5.2
111.04404	24.6
111.08004	4.0
113.05948	12.9
115.05421	5.0
115.08649	6.6
116.06158	4.0
116.09689	2.6
117.03314	28.6
117.06967	24.8
119.04890	6.0
119.08532	100.0
121.02827	10.9
121.06452	49.0
121.10049	10.2
122.07092	6.5
123.08020	19.6
128.06175	6.1
129.06956	21.5
130.04961	4.8
130.07787	5.7
131.07600	3.8
131.08510	39.0
132.05664	2.8
132.52533	3.1
133.06459	12.0
133.10121	11.9
135.04375	6.2
135.08011	56.1
137.05968	4.9
137.09634	5.2
139.03894	4.9
141.06950	14.8
142.07748	11.1
143.08534	23.0
144.05684	5.9
144.09326	10.6
145.02812	65.7
145.06470	11.0
145.10110	26.5
146.03540	3.1
146.07231	3.8
146.53784	3.3
147.04373	17.3
147.08017	40.4
147.11617	11.9
149.05971	14.1
149.09589	13.3
151.03867	6.2
153.07010	5.4
155.08551	5.2
156.09258	3.4
157.06470	3.3
157.10083	17.5
158.07237	24.0
158.10843	3.6
159.08006	33.6
159.11667	31.8
160.03328	4.0
160.08867	4.5
161.01154	5.3
161.05936	13.7
161.09586	28.1
161.13161	3.7
163.03899	15.5
165.09068	18.2
168.09305	5.5
171.08041	4.6
171.11656	4.3
172.08836	24.6
173.09547	9.5
173.13229	13.6
175.07495	44.4
175.11110	24.9
177.05424	65.4
180.23518	2.7
181.04919	6.6
183.11563	8.9
185.09596	5.0
186.10316	4.9
187.11111	22.1
189.09052	4.2
189.12662	6.5
191.06961	4.6
193.08522	4.3
196.08824	10.0
199.11165	11.3
201.12720	16.9
203.10655	16.3
205.06454	2.7
211.11147	12.4
217.12210	10.2
219.13678	5.0
229.12181	14.4
247.05989	5.0
247.13216	29.4
249.02660	4.9
264.07285	2.7
265.07062	14.8
265.10321	3.0
265.14188	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1429
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
53.03914	3.2
55.01820	3.2
55.05440	13.5
60.95880	2.9
65.03862	10.5
67.05424	26.8
67.20979	2.8
69.03352	36.7
71.04938	3.7
72.08047	3.8
79.05407	27.3
81.06971	20.0
83.04900	5.8
85.02843	3.9
85.64912	3.2
89.03828	3.3
91.05394	47.7
92.04569	3.1
92.10860	4.7
93.03338	4.3
93.06972	42.1
95.04891	39.3
95.08537	19.0
97.02824	12.7
105.06970	57.2
107.08533	19.7
109.06445	24.7
109.10094	3.8
111.04399	25.6
113.05956	5.6
115.05321	4.5
116.06210	4.6
117.03315	13.4
117.06966	19.7
119.04888	4.8
119.08531	100.0
121.02832	13.5
121.06465	36.2
121.10091	6.7
123.08020	20.7
128.06194	4.4
129.06923	25.5
131.08517	41.9
133.06499	5.5
133.10121	23.3
135.08018	52.2
137.09573	5.2
139.03909	5.5
141.06943	3.1
142.07750	7.9
143.08528	20.9
144.09343	4.2
145.02863	27.4
145.06444	20.1
145.10126	29.3
146.07310	6.9
147.04396	6.4
147.08025	34.1
147.11687	12.9
148.04683	4.3
149.05927	4.0
149.09645	4.5
155.08533	6.1
156.09349	4.3
157.10092	13.4
158.07286	19.8
159.08044	17.1
159.11697	25.8
160.08833	4.6
161.09601	24.3
163.26421	3.4
165.09114	4.1
168.09277	5.2
171.07968	4.1
172.08823	18.5
173.09581	7.0
173.13223	13.7
174.06700	3.5
175.07492	39.5
175.11143	19.0
177.05386	29.7
183.11650	4.7
186.10439	7.1
187.11153	19.0
189.09119	6.7
193.08562	5.5
193.10109	3.5
199.11243	5.6
201.12720	13.6
203.10677	13.0
211.11098	6.8
217.12355	11.7
219.13731	3.8
229.12244	13.8
247.13286	24.6
265.14200	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	265.1434
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
53.03875	3.4
55.01801	4.3
55.05447	17.4
60.00043	2.1
65.03857	12.9
66.82104	2.1
67.05427	30.5
69.03352	35.8
69.06986	8.3
69.82957	2.1
71.04899	9.6
79.05407	26.9
81.03355	3.3
81.06970	27.9
83.04889	9.0
83.08521	2.4
85.92700	2.1
91.05401	71.2
93.03355	8.0
93.06974	45.2
95.04902	49.4
95.08528	24.1
97.02825	2.4
97.06457	4.4
97.85605	2.6
103.05434	2.7
105.04525	2.0
105.06271	3.0
105.06979	74.7
107.04916	7.8
107.08530	29.7
109.02808	4.5
109.06456	30.4
109.10089	4.0
111.04406	20.0
111.08020	5.3
113.05943	11.6
115.05421	4.8
116.06212	3.8
117.03294	2.4
117.06970	25.4
119.04938	3.8
119.08536	100.0
121.02811	12.5
121.06464	40.4
121.10103	13.5
122.75015	2.5
123.04355	2.3
123.08015	25.0
128.06195	11.0
129.06952	23.3
130.06509	19.2
130.07715	9.6
131.08539	43.3
132.05685	2.5
133.06445	13.6
133.10097	22.2
135.08015	65.7
136.06187	51.3
137.09625	11.0
139.03883	5.1
139.07442	3.2
141.06963	14.7
142.07771	14.2
143.08562	20.0
144.09308	11.3
145.02821	13.2
145.06485	16.1
145.10095	33.0
146.07236	3.1
147.08020	43.1
147.11673	14.2
149.05984	4.3
149.09549	10.7
154.07770	2.0
155.08513	10.2
156.09326	12.7
157.06406	2.5
157.10109	16.6
158.07265	25.2
158.10838	3.5
159.08049	32.3
159.11664	29.8
160.08830	3.5
161.09590	25.1
161.13110	2.8
165.09088	18.1
165.71616	2.6
167.10707	2.7
168.09279	9.4
169.10078	2.6
171.07994	8.8
171.11670	9.8
172.08873	16.6
173.09621	17.1
173.13216	13.6
175.07503	53.9
175.11177	25.5
177.05449	14.4
181.10075	2.5
183.11639	5.3
185.09592	4.5
186.10356	4.9
187.11148	19.4
189.09048	3.6
189.12735	3.8
193.08615	16.9
196.08765	11.5
199.11197	11.0
201.12758	19.5
203.10655	15.9
205.12201	4.3
211.11163	14.5
217.12186	12.4
219.13815	2.3
229.12206	10.0
235.13260	3.3
247.13225	26.9
265.14279	46.8
273.50488	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	265.1433
Annotation	Curcumenolactone C
Peak:m/z	Relative Intensity
54.45197	3.8
55.01819	5.7
55.05436	30.1
56.96489	20.2
60.43523	4.3
62.95902	4.6
65.03841	10.6
67.05424	28.7
69.03351	48.6
69.06991	7.7
70.06485	6.6
71.04910	6.2
72.08051	20.6
79.05399	27.5
81.03288	7.1
81.04447	5.3
81.06979	8.4
83.04897	47.9
84.04386	5.3
84.08064	8.8
85.02799	10.9
89.03851	7.8
91.05406	75.2
92.61818	4.9
93.06970	44.3
95.04889	44.4
95.08521	19.4
97.02794	10.8
97.47993	6.3
98.66169	4.7
98.97495	12.4
99.04395	5.4
105.06976	82.4
107.08520	24.4
109.06439	34.0
111.04416	17.7
113.05943	8.5
115.05421	8.4
116.98563	9.4
117.03297	20.3
117.06953	22.3
119.01887	7.3
119.04884	51.1
119.08530	100.0
120.05257	5.3
120.08041	5.2
121.02832	7.1
121.06451	38.3
121.10052	5.2
122.07108	36.8
123.08011	12.1
128.06145	7.6
128.98560	6.2
129.06989	11.7
131.08549	49.6
133.06454	8.9
133.10088	21.1
134.99715	5.6
135.04375	5.2
135.08026	51.0
137.09599	7.5
142.07721	5.9
143.08511	11.9
145.02730	39.8
145.06441	21.5
145.10069	39.1
146.17819	4.8
147.04376	97.0
147.08022	49.6
147.11668	7.4
149.06010	6.5
157.06456	6.9
158.07227	28.0
159.08072	35.8
159.11656	44.1
161.09602	24.3
162.05473	10.4
163.03883	29.8
163.43636	5.4
165.09085	10.9
168.09241	6.6
171.07999	11.8
172.08813	19.0
173.09615	10.0
173.13206	8.2
175.07475	31.6
175.11185	21.7
177.05409	48.4
183.11667	7.3
187.11145	24.0
201.12778	10.0
203.10573	11.9
211.11259	7.0
213.53722	8.2
217.12157	8.7
229.11974	6.0
237.02850	9.3
247.13258	29.9
265.06802	5.0
265.15002	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	265.1531
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
50.62928	1.1
55.17514	0.9
62.11169	1.1
71.04478	1.0
72.08070	10.9
81.04478	1.1
82.24953	1.2
86.47319	1.3
89.03830	7.7
89.10709	1.6
114.80994	1.2
117.03335	27.6
122.07106	2.0
134.03564	1.8
135.04413	2.4
145.02826	87.3
149.05946	9.7
177.05438	100.0
224.48245	1.1
248.12753	2.4
265.15399	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	265.1543
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
54.61884	0.5
56.33965	0.4
61.99519	0.5
63.94579	0.4
64.81802	0.5
66.00282	0.5
72.08068	8.4
72.25272	0.5
76.82318	0.5
77.37198	0.5
89.03841	7.8
89.10704	2.8
115.08628	0.8
117.03328	30.8
119.37072	0.5
134.03598	0.9
135.04379	1.1
145.02821	93.8
149.05948	10.8
160.75169	0.6
161.43399	0.5
162.42973	0.6
177.05426	100.0
181.37781	0.6
202.97040	0.6
248.12686	5.4
265.15424	12.7
283.97498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
54.81804	0.5
54.86538	0.5
57.90468	0.4
61.65106	0.5
64.68215	0.5
64.84021	0.6
72.08065	18.1
85.93214	0.5
89.03834	9.9
89.10715	7.5
91.05373	0.5
98.05983	0.7
106.04081	0.7
115.08649	0.8
117.03325	38.4
127.17458	0.5
134.03574	0.9
135.04381	2.7
145.02820	100.0
146.03175	1.0
147.04288	0.6
149.05945	15.1
149.07123	0.7
177.05428	96.4
178.05826	0.9
207.12392	0.6
248.12682	2.8
265.15384	11.4
282.87848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
53.03845	1.1
55.01799	2.5
55.05447	2.6
56.96489	7.5
57.03362	1.8
57.19677	1.0
57.33835	1.1
58.46112	1.0
65.03856	1.4
67.05412	2.3
69.03320	1.1
69.06976	2.5
72.08068	9.3
73.02811	2.4
77.41203	1.2
79.05424	8.8
81.06948	2.5
83.08546	1.3
89.03825	6.9
89.10691	1.6
91.05413	9.9
93.06987	1.6
95.08521	2.0
97.02839	1.6
97.06436	1.4
100.11182	2.0
101.02322	2.0
103.05406	5.2
107.04886	2.6
117.03318	33.5
117.05648	1.2
117.06987	1.7
119.04900	4.7
120.08060	26.6
121.02795	5.5
121.06463	1.7
122.07101	5.4
124.03923	1.8
130.06482	11.4
131.04855	2.1
135.04378	5.2
136.06160	33.2
145.02820	94.5
145.06450	1.9
147.04375	6.1
149.05974	11.9
158.08308	1.4
162.05377	1.5
163.02905	1.5
166.08524	1.7
173.05930	1.5
177.05431	100.0
181.04907	1.8
202.08589	2.9
248.12752	2.5
261.99930	1.3
265.10291	1.5
265.15479	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	265.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79758	0.4
64.58934	0.5
72.08073	19.5
73.60162	0.4
78.39749	0.5
80.43649	0.5
89.03840	7.9
89.10715	7.6
91.05413	1.0
98.06017	0.5
99.30495	0.4
113.33463	0.5
117.03326	37.2
119.04893	1.2
122.07070	0.5
134.03587	1.8
135.04358	2.3
138.41689	0.5
145.02826	100.0
146.03180	1.8
147.04399	8.1
149.05951	14.4
177.05435	95.4
178.05757	2.8
193.93596	0.5
204.10168	2.4
248.12782	3.0
265.15436	13.4
277.33508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28815	0.4
60.73626	0.4
99.63472	0.5
101.00806	1.2
116.24497	0.5
119.01865	17.0
120.01959	0.4
137.02939	8.9
153.00923	0.9
177.00908	37.7
178.00981	0.5
193.04079	0.6
217.04012	4.9
219.01953	39.3
225.00752	1.0
226.38992	0.5
231.50410	0.5
243.01765	4.5
261.02988	100.0
262.03116	2.0
263.03073	0.5
284.04642	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	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86824	0.3
56.96481	0.6
57.07005	2.2
64.33232	0.4
71.08544	0.7
71.23840	0.4
85.10134	0.4
89.03840	10.8
91.05400	1.0
95.04900	0.4
103.05396	0.6
106.04186	0.5
107.04890	0.4
116.98585	0.4
117.03333	41.3
119.04919	0.7
124.05185	0.5
134.03601	2.8
135.04369	3.1
137.05936	4.4
145.02829	100.0
146.03159	0.7
146.99609	0.4
147.04437	0.5
149.05965	15.3
149.17302	0.4
162.03096	0.6
163.03873	1.0
177.05441	94.6
178.05824	0.9
186.05460	0.6
220.02859	0.8
238.03828	0.9
266.03137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05420	0.4
56.96496	0.9
57.07010	3.0
67.05436	0.7
70.06490	0.5
71.08532	1.9
78.04610	0.5
83.79327	0.6
85.10123	0.6
89.03842	11.7
91.05408	2.6
97.02837	0.6
103.05370	0.6
106.04127	0.9
115.49869	0.5
116.98560	0.8
117.03329	41.0
118.45135	0.5
134.03610	3.1
135.04401	4.5
136.06157	0.5
137.05984	3.6
145.02824	100.0
146.03174	1.9
146.05994	0.7
148.21188	0.5
149.05966	15.7
163.03870	0.8
177.05438	96.1
178.05811	1.0
186.05450	0.9
220.02745	0.7
238.03842	0.8
266.03326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07016	1.0
61.33183	0.1
61.91027	0.1
70.33350	0.1
71.08546	0.4
72.08076	0.2
79.75430	0.2
88.35461	0.2
91.05389	2.3
98.10503	0.2
115.15816	0.2
117.03314	0.3
118.03695	0.3
119.04898	8.7
136.64159	0.2
145.02798	1.5
146.03185	0.8
146.91740	0.2
147.04390	100.0
148.04771	0.8
149.05905	0.2
150.96881	0.2
162.76894	0.2
177.05449	0.9
178.05762	0.4
182.92523	0.2
204.10175	44.4
207.06416	0.2
266.15854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48119	0.3
55.05443	0.7
56.45580	0.3
56.96495	0.5
57.06998	1.4
57.98539	0.3
63.02301	0.4
71.08540	0.6
72.08069	3.7
73.06454	0.3
78.04613	0.4
78.20661	0.3
79.05418	0.3
79.75867	0.3
84.04429	1.4
87.24686	0.3
89.03830	9.9
89.04375	0.4
90.09129	0.8
91.05403	3.0
92.10311	0.5
94.12815	0.3
95.08509	0.5
97.02793	0.6
106.04092	0.5
106.79660	0.3
114.47630	0.4
117.03322	41.1
117.06955	0.4
119.04933	0.3
124.03900	0.6
124.05225	0.4
130.05006	0.5
134.03578	3.1
135.04370	3.9
137.05954	0.8
143.01895	0.5
145.02817	100.0
146.03203	2.1
146.05980	6.8
148.04857	0.3
149.05940	13.8
151.03848	0.4
161.02896	1.3
161.06308	0.4
163.03891	1.7
177.05426	94.2
178.05794	2.1
186.05452	0.7
203.03969	0.4
219.05347	0.5
238.03709	0.4
247.13257	0.5
248.09175	0.8
254.45497	0.3
266.03146	0.4
266.13669	2.4
267.24139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23467	0.4
57.03365	2.1
60.08101	10.0
60.41008	0.5
61.02860	1.2
69.03349	6.0
71.79240	0.4
73.02822	5.5
81.03341	1.2
84.77158	0.5
85.02824	6.7
87.04395	10.1
97.02826	3.0
99.04388	4.7
104.10682	79.1
115.03878	0.6
127.03869	0.9
128.85892	0.5
142.81366	0.6
180.58478	0.6
192.75537	0.6
197.38789	0.5
266.15927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1226
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
50.31821	0.5
50.97351	0.6
51.17714	0.7
57.03357	1.0
57.07002	1.7
67.05418	0.8
68.44201	0.7
81.06956	0.8
91.05403	11.0
92.10171	1.6
92.54026	0.8
94.02366	0.9
95.08517	0.9
103.05367	1.0
105.06969	4.1
107.04913	2.9
115.05396	8.5
116.06179	4.7
117.06981	6.3
121.06430	0.9
128.06184	15.4
129.06956	30.1
131.04883	3.2
131.08530	25.0
132.05652	1.3
133.06453	6.1
133.10110	1.5
136.06154	3.3
141.06953	13.9
142.07735	5.1
143.04901	1.0
143.08549	5.1
144.05684	18.7
145.06462	7.9
146.07260	5.5
147.04376	1.3
147.08046	0.8
153.06946	1.6
153.19989	0.8
155.05992	0.9
156.05663	3.3
157.06441	13.8
158.07225	4.3
159.08017	44.7
160.05145	1.7
161.05948	4.5
161.09567	10.4
167.06953	1.3
169.06369	0.9
169.07616	3.8
170.07233	16.1
171.07973	8.5
172.05145	6.6
173.05923	5.2
174.06670	3.6
175.07468	5.4
177.05292	1.0
178.06169	1.6
185.05956	1.2
187.07512	21.0
189.05501	6.0
189.09050	8.9
190.06146	1.5
191.07004	1.7
192.07707	1.0
198.06660	3.3
199.07539	1.6
201.05426	3.7
203.06953	8.5
204.07779	17.5
205.08565	2.9
206.09355	1.3
216.07759	5.0
218.09358	1.5
219.10094	4.3
221.11720	1.4
231.10104	7.1
249.11147	100.0
267.11932	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1336
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
56.04954	7.2
56.96489	6.4
57.07000	7.2
69.06969	1.5
69.80671	1.3
71.04879	1.2
71.08521	2.5
74.05987	13.4
84.04425	32.9
84.08051	1.8
85.02798	6.1
85.10119	1.6
91.05383	6.2
93.06968	6.7
98.97517	1.5
102.05380	1.6
103.05385	1.8
108.59913	1.3
116.59807	1.3
116.98547	2.9
119.04861	2.4
120.08051	12.9
121.06454	100.0
130.04959	12.0
134.41905	1.2
135.02275	1.8
136.05243	1.2
136.06110	11.7
138.09079	9.6
146.99582	1.3
147.04393	6.9
148.04672	6.8
162.02277	1.4
166.08606	1.8
180.92615	1.3
214.08801	1.3
221.12962	1.7
250.10645	8.8
267.13260	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	267.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04967	5.5
56.96484	3.2
57.07006	4.7
58.06530	0.9
69.06960	0.9
71.08552	1.4
74.05989	12.6
75.61859	0.8
84.03948	1.6
84.04433	37.2
84.08086	4.1
85.02823	5.5
91.05397	4.5
93.06983	6.8
95.04919	1.3
98.97475	1.5
102.05442	0.9
103.05419	3.9
107.04884	1.2
119.04899	1.5
120.08067	10.6
121.06462	100.0
123.02254	1.3
130.04991	12.8
130.06500	10.2
134.99632	1.5
136.06152	5.5
138.09132	7.9
147.04384	10.9
148.04752	10.5
149.05936	0.9
155.11763	1.7
159.09201	1.0
166.08627	1.8
167.06958	3.9
175.53938	1.0
204.10289	1.5
205.10478	5.0
221.12817	1.2
242.49394	0.9
244.06572	1.0
250.10724	6.0
267.13406	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01808	0.6
57.03359	0.8
62.30271	0.2
69.03351	0.4
70.06517	0.6
71.01283	0.2
72.92122	0.2
73.02821	0.3
74.57034	0.2
85.02820	0.4
92.10291	0.2
94.03973	0.3
104.10752	0.2
112.13690	0.2
116.07037	0.7
117.45261	0.2
119.03508	0.9
122.07127	0.3
123.07487	0.2
135.39589	0.2
136.06160	100.0
137.04570	0.7
137.06612	0.5
152.05623	1.9
153.05945	0.7
268.10333	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	268.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00519	0.2
50.96209	0.2
57.03373	0.4
58.08039	0.2
73.02809	0.3
85.02831	0.3
85.41711	0.2
94.03973	0.2
104.85110	0.2
107.74662	0.2
109.35455	0.2
119.03508	0.4
136.06158	100.0
137.04590	0.4
137.06519	0.4
234.76526	0.2
249.28270	0.3
268.10355	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	268.1036
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.62590	0.3
57.03364	0.5
57.79655	0.3
65.46474	0.3
66.66549	0.3
67.14546	0.3
73.02837	0.4
91.85530	0.3
100.72029	0.3
119.03496	0.7
120.29295	0.3
121.59661	0.3
121.80401	0.3
136.06148	100.0
137.04550	1.3
137.06491	0.5
268.10339	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	268.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66447	1.0
75.67603	1.0
81.06978	1.2
100.79415	1.1
102.90573	1.2
125.95790	0.9
136.06157	20.5
158.54739	1.1
193.51740	1.0
210.86162	1.1
268.22403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1647
Annotation	Daimuron
Peak:m/z	Relative Intensity
52.48460	0.2
52.50795	0.2
52.87581	0.2
52.98435	0.2
55.05444	0.3
56.96496	3.8
57.07008	0.4
58.82762	0.3
60.18926	0.2
65.03860	1.2
67.05424	0.2
68.01537	0.2
68.04840	0.2
69.06960	0.4
71.08530	0.2
72.04426	18.2
80.74876	0.2
81.06987	0.4
91.05402	100.0
95.08493	0.3
98.97534	1.4
101.07066	0.6
104.99223	0.5
105.07006	0.6
107.08521	5.1
108.08862	1.4
111.32664	0.3
116.98591	1.6
119.08548	0.6
132.04312	0.5
134.09677	0.5
134.99635	1.0
135.08017	3.2
136.06104	0.3
136.08357	1.9
136.11189	3.6
146.99602	1.3
164.92964	0.3
165.06935	0.6
166.07738	1.6
169.55309	0.4
177.00737	0.4
177.10179	0.6
179.08653	0.3
181.10042	3.0
182.71843	0.3
182.76807	0.3
189.71225	0.3
229.07718	0.3
269.16443	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	269.1744
Annotation	Kobusimin B
Peak:m/z	Relative Intensity
51.18403	1.8
53.12244	1.8
54.81099	2.1
55.01806	2.3
55.05451	25.3
56.96507	3.5
57.03373	48.8
57.07008	2.7
60.70307	2.0
64.92994	2.0
65.03833	2.0
67.05430	87.5
69.06992	32.4
70.37163	2.1
71.04903	4.5
75.32659	2.4
78.07614	2.1
79.05413	57.4
81.06507	4.2
81.06977	100.0
81.09464	2.1
83.04903	11.9
83.08544	18.9
85.06467	3.1
86.54611	2.1
91.05399	36.4
91.32393	2.2
93.06969	77.9
95.04895	10.4
95.08536	34.4
97.06467	17.2
99.08030	5.1
105.06984	15.2
107.08524	32.9
109.10091	9.1
110.99230	2.0
111.08037	2.9
112.45943	2.3
117.06967	13.3
121.10100	11.8
123.11533	2.7
131.08536	14.1
131.27711	2.7
133.10101	11.8
134.98431	2.8
135.11687	3.9
149.13231	18.8
159.11646	20.6
177.12689	11.7
179.14314	2.6
195.13831	3.8
223.71175	2.4
268.22360	27.7
269.17410	39.6
269.22763	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
55.01802	3.1
55.05444	23.0
57.03372	41.4
57.07001	3.2
67.05424	83.4
68.72541	2.6
68.91071	3.0
69.03320	3.8
69.06968	33.8
71.04898	6.8
79.05412	62.0
81.06973	100.0
83.04903	4.8
83.08519	16.7
85.06460	5.0
91.05391	35.8
93.06969	78.4
95.04864	7.9
95.08544	30.1
97.06452	20.5
105.06947	14.9
107.08542	32.3
109.10086	4.9
111.08012	3.2
117.06905	7.0
121.10074	15.7
131.08525	19.6
133.10083	7.0
135.11617	7.1
137.04555	3.5
137.06526	4.8
149.13226	15.7
159.11659	19.8
195.13832	5.2
244.87663	3.5
260.62363	3.3
266.62537	3.3
269.17398	30.9
286.40027	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03893	1.6
54.03592	1.3
54.81850	1.4
55.01807	3.6
55.05455	30.7
57.03099	2.2
57.03371	42.4
57.07007	8.4
62.70305	1.6
65.03874	2.0
67.05079	3.2
67.05428	80.3
69.03333	1.4
69.06653	2.0
69.06993	35.8
70.71934	1.5
71.04890	6.8
71.08530	1.7
71.62440	1.5
76.56325	1.7
79.04967	2.6
79.05411	55.8
81.06976	100.0
81.34039	1.9
83.04913	12.1
83.08540	18.9
85.06451	6.7
91.05412	32.5
93.06974	81.1
95.04884	12.3
95.08541	30.5
97.06468	13.5
98.97472	1.6
99.04394	2.0
99.07999	3.1
105.06992	16.2
107.08537	34.3
109.06490	3.3
109.10078	3.8
111.08022	3.7
116.98614	1.9
117.06969	13.7
119.08526	3.0
121.10085	15.6
131.08553	21.3
133.01630	1.8
133.10074	11.7
135.11647	8.0
139.11165	1.5
147.11641	2.0
149.13251	21.7
159.11693	25.6
177.12689	11.8
179.14261	2.4
195.13693	7.7
269.17422	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11153	3.6
55.01819	4.5
55.05453	41.8
56.96497	7.3
57.03373	63.1
57.07008	8.9
59.22100	4.3
67.05427	79.1
69.05292	4.4
69.06997	35.1
79.05417	60.4
81.06979	100.0
83.08539	20.3
90.45518	4.9
91.05420	40.8
93.06963	77.8
93.15068	5.3
95.04890	8.8
95.08533	26.1
97.06447	10.6
98.15202	4.6
105.06940	10.5
107.08537	40.3
109.06448	4.8
111.08052	5.6
117.06950	7.9
121.10104	27.1
131.08562	19.6
132.93687	4.8
133.10123	8.1
134.99599	5.3
135.11641	5.2
136.06076	6.0
142.13084	5.4
149.13257	11.6
159.11647	8.6
177.05406	4.7
177.12532	4.6
195.13783	7.2
268.22458	22.8
269.17426	33.4
269.22708	24.0
272.47568	5.3
273.30566	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	269.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16222	2.2
55.01802	12.3
55.05455	29.4
56.96531	2.1
57.07014	10.3
65.91346	1.9
67.05428	72.9
67.40447	2.3
69.06653	3.3
69.06989	59.7
71.08559	2.9
79.05405	90.4
79.05862	3.5
81.06973	74.6
83.04885	3.1
83.08525	14.6
91.05407	18.8
91.96706	2.2
93.06970	100.0
95.04903	5.1
95.08530	43.5
97.06447	5.1
97.10093	3.6
101.79018	2.3
104.99229	3.7
105.07005	3.4
107.08530	68.1
109.10084	20.0
119.08540	4.3
121.06375	2.3
121.10094	90.3
123.11694	15.9
133.10146	2.7
134.34120	2.6
134.99638	2.3
135.11655	44.0
145.10146	3.9
149.13231	13.5
174.34122	2.1
205.19467	60.2
211.18275	2.4
215.17883	16.0
233.18898	4.7
269.20792	4.9
294.19751	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	270.2789
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
50.66866	0.9
50.81878	1.2
51.14921	0.9
51.91931	0.9
57.07011	11.5
58.02899	8.1
69.22694	1.0
71.04920	1.2
71.08527	2.5
72.45222	0.9
81.89777	1.0
85.61986	0.9
88.07535	6.7
102.09113	13.9
110.68517	1.3
115.66027	1.0
116.10671	4.9
126.36479	1.0
153.65265	1.3
174.82791	1.1
270.27859	100.0
271.28265	2.4
294.21060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.279
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
52.30911	0.4
54.81660	0.5
57.06742	0.5
57.07011	10.2
67.05452	0.5
69.06969	0.8
71.08556	4.0
72.04429	7.0
72.76857	0.4
73.94398	0.5
77.08499	0.4
83.08527	0.7
97.75411	0.4
100.07593	0.5
100.20452	0.4
102.09109	3.6
116.10695	6.5
116.93804	0.5
130.12244	2.3
138.76248	0.5
146.05891	0.5
270.27866	100.0
271.28314	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.3
53.64782	1.3
53.89233	1.2
55.05445	10.0
56.96498	11.0
57.03372	2.1
60.57864	1.3
67.05427	5.8
69.03355	3.2
69.06990	8.3
69.30379	1.4
70.06529	1.9
71.04900	2.1
72.08074	3.2
79.05429	6.8
81.03329	3.9
81.06978	44.3
82.06513	1.8
83.04883	6.3
84.44901	1.6
85.02837	8.2
85.06461	2.2
85.43272	1.7
86.09624	6.1
91.05407	7.3
93.06974	2.7
95.04902	2.8
95.08521	6.0
97.02822	3.6
98.09634	11.4
98.97527	2.8
99.08031	9.9
105.06968	6.8
109.06456	3.1
109.10098	2.1
111.04404	2.8
116.10672	11.9
116.98562	9.2
128.06978	1.9
130.06532	2.4
133.10144	5.3
134.87550	1.6
134.99634	6.8
137.05919	2.3
145.02838	2.9
147.11594	1.8
155.06990	1.9
160.03300	3.0
173.02841	1.6
177.05452	3.4
184.00630	3.4
194.04855	1.9
198.14883	39.7
202.01747	3.2
204.03300	3.8
204.06401	2.5
210.04494	2.0
217.10843	1.7
220.02782	79.3
221.02969	2.1
222.04346	30.7
226.14337	26.5
238.03815	97.8
239.04202	2.3
240.05388	46.1
243.04205	1.6
248.02238	25.9
252.78033	1.7
253.14301	2.3
263.06879	2.2
263.19672	1.9
266.03296	100.0
267.03702	1.8
271.10672	3.4
271.16486	2.1
271.20633	1.6
284.04355	8.1
289.04938	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	271.144
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
51.37033	0.2
56.96490	0.5
58.19785	0.2
58.48621	0.2
67.05416	0.4
68.68522	0.3
69.06985	0.4
69.89771	0.3
80.51424	0.3
81.06935	0.3
84.04430	0.3
92.10902	0.5
95.08532	0.4
98.97547	0.3
103.19287	0.3
107.08496	0.4
109.10012	0.3
121.10058	0.3
134.99632	0.4
145.02896	0.5
159.06764	2.8
174.05463	2.4
185.07048	1.5
186.07828	0.5
199.05005	10.4
200.05669	0.3
204.06525	1.7
214.07341	100.0
215.08098	10.5
271.14362	49.6
272.14719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00215	2.9
55.05452	80.4
55.34895	2.9
56.96496	35.8
57.07013	15.9
67.05425	61.9
69.03367	3.1
69.06985	100.0
71.04918	3.6
73.06455	2.9
75.15745	3.0
79.05426	24.8
81.06980	85.4
83.04913	4.1
83.08539	50.5
91.05400	19.2
93.06966	31.3
95.08530	71.6
97.06470	14.4
97.10088	27.5
97.99130	7.0
98.97573	3.7
105.06985	14.9
107.08540	26.6
109.10108	41.4
111.11681	4.4
116.00164	14.1
116.98573	18.8
119.08542	20.8
121.10072	24.5
123.08009	4.8
123.11652	6.6
125.09608	4.1
133.10092	20.4
134.99643	12.4
135.11644	19.2
135.16104	3.1
139.11140	4.6
147.11644	13.3
149.13216	13.7
151.11227	4.2
153.00766	4.9
155.84860	3.0
161.13202	6.5
175.14851	4.0
187.98769	3.1
217.19540	14.5
225.39589	3.4
235.20567	14.8
242.27219	3.3
250.40712	3.9
253.21535	4.8
286.89767	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	271.2267
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
54.81608	2.7
55.05453	18.7
57.07007	16.0
64.64156	2.4
65.80349	2.1
67.05083	2.8
67.05431	71.9
69.06995	41.2
71.08531	4.5
79.05402	6.5
81.06512	3.6
81.06976	87.3
83.08508	18.2
84.82559	2.7
84.95919	3.0
85.95125	2.4
91.05373	3.2
93.06969	10.4
95.08531	100.0
97.10110	11.1
99.06885	2.6
101.95364	2.7
105.06992	3.6
109.10111	38.2
111.11661	4.9
119.08500	5.7
121.10096	6.0
123.11669	13.0
133.10098	3.6
134.99620	3.1
137.09573	3.0
147.11681	2.9
149.19516	3.3
158.90752	3.3
199.04527	4.5
207.21059	6.1
217.19505	11.3
235.20532	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	272.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88501	0.8
53.03885	0.8
55.05454	8.8
56.21552	0.8
56.96495	5.7
57.03390	1.0
59.40819	0.9
61.02859	1.4
67.05426	1.0
69.03341	4.9
72.44823	0.9
73.02865	1.0
80.62930	0.9
83.04901	1.2
83.08543	7.5
84.04460	1.0
84.08052	1.1
85.02824	5.5
86.37626	0.9
87.85593	0.9
88.47723	0.9
91.05392	4.3
95.04846	1.2
97.02818	2.0
98.97530	4.9
100.11192	100.0
110.44198	0.9
116.98570	4.7
119.04876	1.3
134.99632	4.4
135.04390	1.1
137.06017	7.0
142.01204	1.0
147.04424	1.3
151.07558	2.4
161.01228	2.0
162.05417	1.4
178.96828	1.2
181.08592	1.2
209.16451	11.9
220.97765	1.3
227.17496	44.1
285.16513	4.4
288.49915	1.2
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
50.20670	1.6
54.07293	1.5
55.05449	28.1
57.07011	9.3
60.91771	2.0
67.05424	36.1
67.79517	1.7
69.06987	55.4
79.05389	18.5
81.06975	100.0
81.07452	3.6
83.08549	17.6
91.05392	20.3
92.10201	3.4
93.06969	54.4
95.08536	93.9
95.09158	3.0
97.10104	10.5
105.06993	33.3
107.08540	66.1
109.10124	56.2
119.08539	35.1
121.10105	62.7
123.11669	42.2
133.10107	27.0
135.11671	30.3
137.13237	9.7
147.11696	22.3
149.13237	48.1
151.14833	2.5
158.36607	1.9
161.13214	29.3
163.14804	26.8
175.14821	13.8
177.16383	13.1
189.16359	12.1
191.17967	8.1
203.17953	11.0
217.19405	21.1
220.90178	2.0
231.20866	2.3
251.87943	2.6
273.25711	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	274.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50350	2.1
50.94173	1.8
51.25072	1.8
52.40564	1.8
55.05438	3.2
56.72955	2.4
56.96238	3.6
56.96498	70.5
58.67289	2.2
66.70267	2.1
67.05412	5.1
69.06972	3.2
70.06517	3.2
72.95951	22.9
72.96300	2.6
79.05398	3.7
82.26115	2.4
83.39040	2.6
90.91636	2.4
95.08553	3.1
97.06464	3.2
98.97507	56.5
105.06956	3.9
105.29361	2.5
113.05984	3.4
116.98568	84.7
119.08520	4.2
130.06477	10.4
134.99622	100.0
146.05881	3.1
153.00658	31.4
192.03262	5.5
193.12126	3.3
204.03366	4.6
206.04805	34.4
208.02852	4.2
220.02774	20.0
222.04323	5.0
224.05920	14.8
226.03760	3.5
238.03821	10.5
248.05952	4.7
250.03798	16.4
255.15802	3.7
268.04816	29.9
274.03851	15.9
274.27438	4.8
292.04736	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	274.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07008	15.4
70.06149	0.8
70.06508	20.7
71.08537	5.5
74.05639	0.6
83.03504	0.7
88.07547	27.3
89.34947	0.8
89.35575	0.7
89.83878	0.7
98.74898	0.7
99.12581	0.7
102.09121	8.0
106.08598	12.5
137.15076	0.8
170.15675	0.6
256.26266	9.8
274.27322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2737
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
52.50561	0.7
57.07009	16.8
58.06519	0.8
66.10515	0.8
69.07147	0.7
70.06507	21.1
71.08548	5.4
85.10117	0.8
88.07051	1.2
88.07558	25.5
88.08112	1.2
102.09132	7.0
102.09708	0.7
104.41809	0.7
106.08604	9.2
150.16312	0.7
223.85854	0.7
230.24719	0.8
241.21930	0.7
256.26297	11.2
274.27335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82069	0.5
55.05448	6.6
56.04971	0.6
57.05742	0.5
60.61488	0.4
62.42409	0.4
69.03336	0.5
70.03684	0.5
70.06505	83.4
71.06820	0.6
72.08067	100.0
77.79620	0.5
78.13361	0.4
84.04419	4.9
84.08062	1.2
86.05965	1.1
88.03918	0.5
112.07545	50.2
113.07058	2.2
116.07033	20.6
117.07387	0.7
118.08601	27.6
119.01856	4.2
120.02052	0.6
130.04974	0.6
137.02914	2.2
137.49675	0.5
140.07013	5.3
145.03436	0.8
147.07607	1.2
156.06477	2.4
158.08090	32.7
177.06108	0.8
184.19235	0.6
188.52441	0.6
193.73921	0.6
204.99002	0.6
233.13925	0.5
241.03264	0.6
275.10907	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	275.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	0.6
54.37855	0.2
55.01804	0.2
55.05442	3.3
57.03378	0.5
57.07010	26.9
58.06535	2.2
58.07341	3.4
60.04464	0.3
62.06012	1.6
67.05421	2.4
68.04945	0.3
69.06990	2.1
70.06509	39.0
71.06208	0.3
71.06837	5.0
71.08545	9.5
72.08879	1.4
79.05414	2.5
81.06982	2.4
83.08535	1.0
85.10096	2.2
86.05972	0.3
86.10463	0.5
88.07552	48.6
89.07317	0.6
89.07863	5.5
91.05403	5.7
93.06976	2.1
95.04871	0.3
95.08537	2.0
98.97511	0.3
102.09111	13.5
103.09441	1.9
105.06972	8.2
106.08608	22.9
107.04897	0.4
107.08382	0.5
107.09075	2.1
109.06485	0.4
116.98497	0.3
117.06921	2.3
119.08542	5.3
121.10085	0.5
129.06976	0.5
131.08527	1.7
133.10065	4.2
143.08511	0.5
145.10071	2.4
147.11668	3.2
149.09566	0.4
157.10112	0.5
159.11665	1.5
161.13179	1.2
164.16461	0.2
169.10039	0.3
173.13205	0.5
183.11638	0.4
185.13222	1.0
192.98439	0.2
203.14233	0.5
212.23711	0.5
230.24826	1.9
231.25084	1.1
256.26273	11.3
257.18945	1.3
257.26624	8.3
274.27344	100.0
275.19983	9.0
275.27686	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03883	2.0
55.01794	3.8
55.05453	24.1
57.03343	1.8
57.27713	1.6
67.05425	28.6
67.05761	3.0
69.06992	18.5
71.04883	2.3
79.05407	37.5
81.06975	34.5
83.04868	2.4
83.08533	4.1
85.06422	1.8
91.05404	70.1
93.06973	32.8
95.04877	9.2
95.08534	17.1
96.98683	1.7
97.06503	1.7
105.06972	100.0
107.08537	19.8
109.06448	3.2
109.10069	7.7
113.13035	1.8
117.06951	18.0
119.08531	59.3
121.06451	2.8
121.10089	10.0
123.08035	3.1
123.11646	2.5
129.06924	3.0
131.08533	21.6
133.10091	50.8
135.08011	2.9
135.11649	2.5
143.08502	1.7
145.10091	22.2
147.11688	23.6
149.09570	7.8
149.13219	2.6
151.11217	1.7
159.11658	9.7
161.13141	7.1
163.11163	3.8
173.13205	6.2
239.17949	3.4
257.18893	7.7
275.19998	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	275.2002
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.01819	4.1
55.05449	40.8
55.27959	3.2
56.26381	3.0
56.96491	3.9
57.03360	7.7
58.38403	3.0
67.05412	24.9
67.91597	3.3
69.03308	3.4
69.06985	29.1
71.04895	20.9
71.63907	3.5
72.22697	4.0
77.96414	3.3
79.05403	27.5
81.06970	31.2
82.07336	4.1
86.87321	3.6
88.04712	4.1
91.05395	73.2
92.05693	3.9
92.10812	4.3
93.06962	22.4
95.08511	22.8
99.04382	4.2
105.06976	100.0
107.08500	17.8
109.06362	3.5
109.10079	6.7
116.98531	4.6
117.06953	21.1
119.08524	64.9
121.06441	4.8
131.08505	21.5
133.10066	37.3
134.99579	6.2
143.08533	4.5
145.10097	15.8
147.11682	28.2
159.11662	16.5
175.14810	5.3
203.14204	6.1
204.14476	4.8
222.15479	5.4
247.51947	4.2
255.86441	4.3
257.18896	5.5
275.20013	96.8
297.74136	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
52.28455	4.1
55.05447	35.4
56.96485	11.1
57.03380	4.0
65.26190	4.5
67.05412	30.9
69.06972	26.7
79.05399	27.0
81.06979	36.5
83.04884	5.1
91.05408	96.5
92.10237	10.3
93.06956	47.4
95.04877	4.3
95.08522	17.8
98.65049	4.5
98.97511	5.5
105.06968	100.0
109.99629	4.0
116.91415	5.1
117.06953	25.1
119.08515	58.3
121.06413	4.2
131.08470	16.2
133.10112	46.1
134.99637	5.1
145.10062	20.1
147.11638	29.3
149.09555	5.1
159.11655	21.2
161.13219	6.8
249.99867	5.0
257.18878	9.1
275.20016	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.12283	5.0
55.05439	33.6
56.96481	4.1
57.07004	10.8
62.47174	4.3
67.05434	41.5
69.03310	4.8
69.06982	19.3
70.06464	4.2
71.04903	41.9
71.53570	4.4
79.05426	43.8
81.06558	5.0
81.06953	35.6
83.04892	6.8
83.08521	5.9
85.06454	11.9
88.53120	5.5
90.81370	4.9
91.05405	67.6
93.06969	80.3
95.04873	20.0
95.08517	50.6
105.06976	100.0
107.08531	57.7
109.06445	33.1
109.10085	20.8
111.08033	57.3
117.06963	32.2
119.08539	92.3
121.10082	68.1
126.84258	5.4
129.06927	12.2
130.07773	7.0
131.08537	90.4
133.10088	64.1
135.08049	43.4
137.09570	30.3
142.07767	18.4
143.08534	35.8
144.09344	7.5
145.10120	78.8
147.11633	22.5
149.09595	7.2
155.08539	5.9
156.09288	11.4
157.10130	47.1
158.10855	27.5
159.11641	100.0
168.09283	8.0
169.10094	12.1
171.11583	20.4
172.02287	5.3
173.13208	83.4
175.11122	5.9
175.14816	5.9
177.12720	28.9
183.11650	10.5
184.12277	6.6
187.11090	6.2
191.14159	6.8
199.14755	29.6
257.18945	9.9
275.19983	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	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
51.49201	1.5
55.01797	2.0
55.05444	21.4
56.96501	7.3
64.33115	1.6
65.69691	1.6
67.05419	19.0
69.06973	15.2
71.04901	2.7
77.83779	1.6
79.05408	26.8
81.06979	24.5
83.08555	3.4
83.85537	1.8
91.05402	72.2
91.05947	3.5
93.06978	21.5
95.04892	2.7
95.08523	17.5
98.97530	2.5
103.05425	3.1
104.06152	1.7
105.06971	100.0
107.04922	2.1
107.08511	15.4
109.10111	3.4
116.98592	3.7
117.06935	17.1
118.07808	1.8
119.08538	57.4
121.10091	3.6
131.08533	17.0
133.10081	40.0
134.99652	4.2
145.10153	13.6
147.11678	26.7
149.09596	1.9
157.10060	2.6
159.11671	10.8
161.13177	3.8
171.11639	2.4
173.13272	2.1
257.19031	3.0
262.97638	1.9
274.27289	1.8
275.19971	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06747	0.7
57.07014	17.1
58.06538	0.8
58.07346	4.6
62.13657	0.5
70.06140	1.0
70.06512	24.7
71.06843	5.3
71.08205	0.7
71.08540	6.2
72.08858	1.5
85.10113	0.8
88.07555	27.2
89.07315	0.8
89.07880	6.2
99.85133	0.5
102.09113	8.4
103.09442	2.4
106.08624	13.9
107.08964	3.1
203.12019	0.6
231.24971	0.8
253.90950	0.7
256.26233	3.0
257.26617	7.4
274.27332	28.9
275.27695	100.0
286.65036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1187
Annotation	(5-L-Glutamyl)-L-glutamine
Peak:m/z	Relative Intensity
51.52949	1.0
55.05446	5.3
56.04964	5.7
64.33179	1.4
70.06138	2.3
70.06507	58.4
71.06849	9.9
72.08068	66.3
73.08405	11.5
74.00633	1.0
74.02335	1.4
82.06499	1.6
84.04426	100.0
84.08080	9.0
85.02811	1.9
86.09650	1.2
92.10370	1.4
97.02799	1.7
102.05460	5.7
109.07617	2.4
110.05986	15.3
112.07541	27.5
113.07891	8.1
114.05469	1.4
116.07027	12.6
117.07352	5.2
118.08601	17.5
119.08921	2.3
130.04962	20.6
132.95796	1.5
138.05531	1.9
140.07072	4.8
142.04941	3.1
147.07616	46.6
155.08134	8.3
156.06505	7.8
158.08095	13.9
159.08461	3.1
174.04700	1.6
183.07663	2.6
186.96880	2.3
201.08632	17.2
202.71754	1.2
213.08644	6.4
259.09210	6.0
276.11813	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81432	1.5
55.01799	5.1
55.05435	7.9
56.04729	1.4
56.04974	32.1
58.06460	1.0
58.99517	35.9
61.01073	1.5
67.05087	1.3
67.05430	33.3
69.06988	16.2
70.06493	1.9
71.04913	2.2
73.01041	6.4
74.00558	7.8
74.00922	1.1
76.02144	17.8
79.05395	14.7
79.77087	1.0
81.06979	11.4
82.06477	2.0
83.08525	6.4
85.01045	6.5
85.06458	1.3
86.00569	37.9
86.98484	1.4
86.98981	27.3
87.02609	6.4
87.74525	1.1
88.02126	4.7
88.03900	5.0
91.05399	21.0
92.63811	1.2
93.06968	43.7
94.06442	1.1
95.04886	4.2
95.08546	14.6
97.01047	31.8
97.06436	5.7
98.97462	1.6
99.02594	2.8
100.02128	1.9
103.05353	1.6
105.00039	8.6
105.06940	1.7
107.08528	11.7
109.06480	5.6
109.10101	24.7
111.02619	2.3
111.08031	4.9
113.00500	1.4
113.05924	1.7
114.03689	1.9
116.05227	2.9
117.06988	2.0
119.08514	10.8
123.02590	1.7
125.04144	5.9
127.05705	1.2
130.06557	1.2
131.24861	1.2
132.01112	26.2
132.99527	1.7
135.08029	13.9
136.11130	1.9
137.09596	9.8
138.03662	1.4
141.07301	6.4
151.05710	10.6
154.12251	37.1
169.06783	5.1
172.13274	7.7
173.11728	1.9
177.07291	2.3
195.08340	6.5
212.10994	42.5
213.09315	2.6
223.07753	2.2
230.12041	21.1
258.11465	15.4
259.09744	10.1
276.12582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	4.8
55.05457	42.0
56.96497	10.5
57.07006	8.6
57.16386	3.7
57.23575	3.6
58.96080	4.1
67.05432	47.4
69.06979	20.0
71.08552	100.0
79.05402	72.5
80.23042	3.8
81.06982	53.5
83.04905	19.0
83.08537	7.0
84.04437	8.0
85.06428	5.2
85.10117	5.7
91.05405	24.6
93.06970	87.7
95.04945	4.4
95.08540	43.4
97.06473	26.0
99.08029	66.0
105.06979	8.1
107.08533	55.1
109.06457	8.2
109.10103	21.0
113.09579	8.6
117.07011	7.2
119.08553	9.6
119.36775	4.1
121.06485	9.9
121.10085	49.9
123.08027	5.6
131.08606	8.7
133.10045	4.6
135.08032	20.8
135.11674	8.4
136.06174	93.0
139.07547	8.8
139.11157	50.4
145.05692	4.4
145.10097	17.3
149.09618	18.9
153.09068	5.1
161.13124	4.5
163.14751	25.2
166.92177	4.5
177.16373	21.7
187.14771	9.2
205.15846	46.4
223.16891	99.5
241.17914	43.9
276.18091	24.8
298.25748	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	276.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20863	1.7
55.05437	1.7
56.96484	2.6
57.06999	11.4
58.06530	2.8
58.42850	1.8
58.96033	1.7
60.24070	1.8
67.05432	3.0
70.06504	44.4
71.08530	7.6
74.83940	1.6
81.06956	2.5
85.10088	2.7
87.04405	7.6
88.07552	48.9
92.10185	5.0
92.64072	1.8
93.06966	2.7
95.08543	2.0
102.09105	31.6
107.08490	1.9
111.00732	2.3
126.46053	1.8
129.01816	2.8
133.04942	9.8
157.04916	14.0
171.92024	2.5
174.55165	2.1
214.21617	87.7
215.62662	1.7
237.17990	2.2
251.31110	1.9
258.24185	3.6
266.58505	1.9
271.56207	2.1
276.25262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96503	11.0
69.03342	1.8
70.06478	1.0
77.72700	0.8
84.08055	3.3
88.04625	0.9
98.97508	70.0
101.00802	2.1
107.13312	0.8
116.98564	97.3
119.01867	54.5
119.02525	0.9
120.01958	10.6
121.01620	16.9
130.41083	0.8
133.03419	0.8
134.99620	100.0
137.02927	41.9
138.03029	9.5
139.02638	13.7
139.03485	0.8
142.03473	17.5
143.03511	3.0
144.03201	2.0
151.06305	0.9
153.00679	29.4
154.96124	0.8
158.01129	2.0
160.04515	8.9
161.02922	4.1
161.04747	1.4
162.04259	3.5
177.00917	21.0
178.00990	11.4
179.00655	24.0
179.62898	0.8
180.00793	1.5
186.96838	1.0
195.01955	1.2
197.96881	0.9
210.97647	1.0
211.47849	3.4
211.97668	4.6
219.01941	12.5
219.03835	1.2
220.02068	7.8
220.48257	1.2
220.98247	1.2
221.01649	10.9
232.96356	1.1
234.96307	1.5
234.99789	1.6
236.99869	1.3
240.98534	3.9
242.49217	1.2
245.01654	1.6
250.49310	1.1
250.99197	16.6
251.49199	13.4
251.99234	6.7
256.96536	28.7
257.96704	15.5
258.96347	30.9
258.99698	27.5
259.96411	5.0
260.00021	1.1
260.96106	3.7
260.99988	3.4
261.02951	38.7
262.00259	1.5
262.03101	23.4
262.49933	5.2
262.99896	4.7
263.02728	39.9
263.49945	1.8
264.02948	7.8
265.03006	0.9
271.17361	1.0
274.97632	15.8
275.97812	10.5
276.97400	27.3
277.00732	95.8
277.97452	4.5
278.01044	5.2
278.97708	1.1
279.00787	9.1
280.00806	3.1
280.98169	1.2
281.97845	1.5
282.99799	1.5
284.00012	1.6
284.99734	8.8
285.99802	1.5
295.01932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20898	0.2
50.57047	0.2
51.40350	0.2
54.81319	0.2
56.96485	0.3
58.24199	0.2
62.66996	0.2
63.43907	0.2
65.03862	0.4
72.04418	1.6
72.08074	3.7
73.70659	0.2
84.08003	0.2
91.05405	10.8
92.10341	0.3
98.05988	0.3
113.10745	0.5
114.08316	0.4
114.09120	13.7
115.08627	0.5
119.04897	36.9
131.11772	17.5
131.12521	0.4
147.04388	100.0
157.09706	1.0
277.15439	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	55.3
56.68501	3.7
56.96501	4.4
57.06999	9.5
67.05422	71.2
69.06986	35.7
71.04908	16.1
71.08544	29.7
79.05407	70.9
81.06976	65.1
83.04896	18.5
83.08537	8.4
84.08040	3.7
85.06487	4.8
85.10107	8.1
91.05410	26.7
93.06972	100.0
95.04897	8.5
95.08531	59.1
97.06462	21.8
97.10111	9.4
99.04384	7.2
99.08023	20.1
101.05927	8.9
105.06960	18.6
107.08535	65.7
109.06479	7.2
109.10089	20.0
109.85300	3.6
113.05933	7.0
117.06947	5.0
117.34566	3.8
118.04430	4.3
119.08546	15.4
121.06483	6.4
121.10104	69.8
123.08029	5.1
129.05391	5.2
131.08534	7.5
135.08038	16.6
135.11673	22.4
139.07474	3.9
139.11124	5.2
145.10066	4.8
149.09613	9.7
163.14780	21.5
177.16270	32.5
187.14761	19.3
205.15823	29.4
218.75443	4.4
223.16919	44.5
241.17990	9.0
277.18857	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14192	0.4
53.00230	0.5
53.03887	0.4
53.58271	0.4
55.05452	5.7
56.96494	1.2
57.03364	1.0
57.07010	18.0
58.07116	0.4
58.07351	7.1
58.07610	0.9
59.07679	0.9
59.37563	0.4
62.05995	0.4
63.30002	0.5
67.05428	7.4
70.06136	0.9
70.06505	20.9
71.04896	0.9
71.06837	10.9
71.08540	5.1
71.51450	0.4
72.07160	1.1
72.08875	2.7
79.05408	12.9
81.06965	7.3
83.08537	0.9
85.06462	0.5
85.10069	0.7
86.10436	0.7
88.07548	21.7
89.07273	1.0
89.07870	11.9
90.07942	5.4
91.05399	7.2
93.06967	14.6
95.04881	0.9
95.08523	4.4
97.06435	0.6
99.53429	0.4
100.07534	0.5
102.09094	4.1
103.09438	4.8
104.09615	0.9
105.06944	3.9
106.08620	6.6
107.08383	5.4
107.09028	2.8
108.09021	3.9
109.06441	0.5
109.10090	2.1
117.06995	0.7
119.08520	3.2
121.10094	5.7
123.08031	0.7
129.06964	0.9
131.08543	2.0
132.85477	0.5
133.10071	2.3
135.11653	4.3
141.58554	0.5
143.08549	0.6
145.10146	1.0
147.11664	2.0
149.02310	4.3
149.13237	2.4
161.45778	0.5
173.13220	0.7
185.40723	0.5
221.15149	0.5
232.25317	0.6
257.26605	0.7
258.26941	8.3
259.20541	1.0
259.27225	3.2
276.27972	100.0
277.21625	9.7
277.28210	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	277.2158
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03875	9.5
54.20133	3.6
54.82181	4.8
55.01803	24.0
55.05456	44.9
57.07008	6.8
67.05424	87.2
69.06973	24.0
71.04869	4.1
71.08540	31.3
71.99222	4.9
79.05402	71.9
81.03339	8.7
81.06969	57.7
83.04926	5.9
83.08533	10.1
91.05394	47.2
93.06968	100.0
95.04888	28.5
95.08518	38.9
97.06436	6.5
99.08054	6.0
105.07010	36.7
107.08537	47.8
109.10081	23.4
111.08017	9.0
119.08523	23.6
121.06474	4.9
121.10081	25.4
123.08031	5.4
123.11650	5.5
129.06944	5.1
131.08516	9.6
133.10095	7.8
135.11659	28.2
143.08556	6.4
145.10059	5.6
147.11664	10.8
149.13264	9.4
151.11165	24.2
161.13194	18.3
163.11171	9.8
179.14188	6.3
209.93040	5.0
241.19357	5.9
259.20447	10.4
275.81656	5.2
277.21533	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.57512	3.1
51.52419	3.4
53.03893	3.2
55.01808	5.7
55.05442	23.9
58.66101	3.2
67.05437	54.2
69.06982	26.5
70.90993	3.5
71.04898	5.1
71.08546	8.5
73.35730	3.4
78.04800	3.8
79.05410	74.4
81.03332	6.8
81.06986	47.9
91.05399	44.2
93.06978	100.0
95.04887	22.1
95.08529	35.3
99.08029	5.9
105.06960	34.1
107.08537	45.4
109.06445	5.8
109.10081	5.3
117.06940	7.6
119.08530	16.8
121.10085	20.5
133.10094	8.4
135.11694	16.3
145.10057	6.7
147.11674	10.0
149.13159	5.1
151.11145	8.7
161.13184	6.5
163.11171	7.8
195.74205	4.7
277.21515	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.00234	1.8
53.03873	3.0
55.01802	1.8
55.05451	24.2
56.96496	2.8
57.06982	2.2
67.05424	32.1
69.06986	19.2
71.08568	1.5
79.04960	3.1
79.05405	82.5
81.06964	30.1
83.08531	3.3
91.05405	32.3
93.06974	100.0
95.04891	12.5
95.08533	20.5
95.53119	1.9
97.06420	1.7
105.06972	16.1
107.08534	44.2
108.57703	1.7
109.06437	3.2
109.10091	3.4
117.06919	6.2
117.88472	1.6
119.08496	12.0
121.10096	29.2
123.74690	1.4
128.46312	1.8
133.10080	6.6
135.07991	3.4
135.11681	22.1
143.08496	1.6
147.11664	2.9
149.13232	7.9
150.36746	1.5
159.74510	1.5
161.13147	2.3
162.15790	1.7
172.95171	2.3
178.91426	1.4
180.81149	2.2
190.96255	2.5
259.20514	2.4
277.17508	1.8
277.18491	1.9
277.21536	24.4
279.32251	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03880	4.9
55.01807	2.1
55.05448	27.7
57.07010	2.0
62.72824	1.7
67.05427	60.7
69.06985	20.9
71.04897	3.3
71.08549	28.4
79.05401	66.7
81.03343	4.3
81.06969	60.0
83.04887	8.3
83.08545	7.7
85.06451	3.2
91.05403	38.8
93.06970	100.0
95.04910	16.0
95.08535	36.0
99.07999	13.3
105.06998	16.6
107.04854	3.9
107.08528	36.3
109.06446	3.9
109.10101	12.0
111.08069	2.8
117.06979	3.7
119.08529	11.8
121.10075	26.3
125.09591	1.9
133.10101	8.5
135.11627	27.6
145.10101	3.4
147.11629	3.3
149.13258	8.3
151.01045	2.2
151.11140	9.1
159.11700	2.8
163.11174	2.5
179.14278	18.9
259.20786	2.0
277.21545	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.36080	2.0
53.03889	4.3
55.05450	22.8
67.05436	27.7
69.06987	16.4
79.05402	71.9
81.06961	28.2
83.08538	5.3
91.05410	32.7
93.06976	100.0
95.04897	11.5
95.08548	17.6
98.57970	2.1
105.06968	9.2
107.08535	36.6
109.10085	9.7
119.08538	8.7
121.10086	20.4
133.10086	3.1
135.11682	23.1
147.06223	2.3
149.13271	5.6
149.57530	2.1
164.29073	2.8
172.95229	2.8
185.13237	2.5
196.29610	2.5
256.66663	2.5
277.21548	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	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03888	5.0
55.01800	15.5
55.05447	36.4
56.96488	3.4
57.06997	11.8
64.77283	2.3
67.05427	61.9
69.06985	29.7
71.04906	4.7
71.08536	4.3
79.05412	67.8
81.03324	2.7
81.06971	53.3
83.04910	5.6
83.08514	10.9
84.12460	2.6
88.06557	2.5
91.05396	42.8
93.06966	100.0
95.04901	24.1
95.08549	27.8
97.06447	3.8
99.08015	3.1
102.22218	3.0
105.06963	30.4
107.08538	41.6
109.06451	6.0
109.10076	13.3
119.08533	26.8
121.10081	27.9
125.09626	2.9
129.06934	4.1
131.08517	5.7
133.10092	17.0
135.08098	3.4
135.11676	17.2
135.55846	2.7
140.50923	2.6
145.10091	4.7
147.11641	12.8
149.13187	12.2
151.11104	6.3
152.68475	2.6
160.36618	2.8
161.13214	4.0
163.11127	5.4
163.14848	3.1
171.11612	3.9
235.16525	2.8
259.20563	10.9
272.11734	3.2
277.21542	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	278.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	0.4
65.03864	0.4
70.06486	0.3
71.04918	0.2
72.08067	1.0
81.01462	0.2
86.09671	0.2
91.05408	6.1
92.10339	0.3
97.02808	0.3
97.06463	0.3
98.05969	1.1
101.54410	0.2
115.08587	1.5
117.03286	0.8
119.04894	22.2
121.06449	0.2
132.11229	0.3
145.02834	1.5
147.04387	100.0
148.04745	1.0
149.02277	0.7
177.05463	1.6
188.47276	0.2
261.12292	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	278.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92807	0.3
54.81735	0.4
55.05451	0.7
56.04716	0.5
56.04972	7.4
57.07007	11.3
58.06533	13.6
60.04454	3.5
60.60042	0.3
64.72456	0.3
67.05434	0.3
68.04961	0.5
69.06968	0.4
70.06499	1.9
71.08542	6.1
72.04446	0.5
72.08067	3.5
74.05981	9.2
75.04417	0.4
76.56561	0.4
79.05402	0.4
86.05985	7.5
88.07549	74.5
89.05950	1.5
90.04947	0.3
100.07540	3.0
102.09121	0.6
104.07023	7.3
116.98606	0.4
118.08597	1.6
121.02792	0.8
132.10156	20.2
134.08014	0.3
138.52834	0.4
144.19519	0.4
149.02309	13.7
154.15891	1.5
162.11229	4.5
166.10725	4.3
167.03308	0.5
170.19038	0.6
172.16969	0.6
174.18510	0.3
177.05461	0.7
186.18488	77.4
198.18478	1.9
230.21092	26.4
251.56772	0.4
260.22122	2.0
278.23196	100.0
279.23593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0931
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
51.02313	0.1
53.03862	0.8
55.01796	0.3
55.05452	0.1
56.96456	0.2
57.07004	1.1
57.25384	0.1
59.02528	0.1
60.98933	0.1
67.05414	0.3
71.04903	0.2
77.03831	0.5
81.06960	0.3
91.05403	0.2
93.06937	0.2
95.00437	1.2
95.04900	2.9
95.08520	0.3
105.04431	0.2
107.50296	0.2
121.02780	0.4
125.01561	0.2
128.06151	0.8
129.06932	1.1
133.01955	0.2
141.00974	1.6
147.03470	0.2
149.02316	9.0
154.07726	0.9
167.39577	0.2
171.03542	2.6
172.95215	0.3
173.05121	10.2
174.05414	0.1
183.03496	1.4
199.02982	0.2
201.04608	7.4
202.73404	0.1
219.05656	100.0
220.06094	1.0
234.93246	0.2
250.47879	0.1
279.09274	74.0
280.09512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.4
54.81198	0.5
55.01797	0.5
55.05441	1.9
56.96498	5.7
57.03373	0.6
57.06787	0.5
57.07017	9.7
59.06043	1.0
65.03847	2.1
67.05427	3.3
69.03331	2.6
70.06509	24.0
73.02824	0.7
73.06464	0.7
79.05431	0.5
81.03322	1.8
81.06966	2.3
83.04872	0.6
84.04395	0.5
84.08052	0.7
84.25591	0.5
84.95956	0.5
85.02801	4.1
91.04826	0.9
91.05399	19.3
95.08527	3.0
97.02813	1.9
98.97514	8.8
107.04864	0.6
109.02826	0.9
110.41148	0.5
110.97507	0.7
114.05473	1.8
116.07037	34.9
116.98563	9.4
119.04888	12.6
121.02814	8.2
121.03663	0.7
121.03944	0.5
121.39444	0.6
128.98589	1.1
134.99620	8.2
136.07553	46.4
138.37094	0.5
146.05931	0.5
146.99628	2.6
147.03258	0.8
147.04379	2.0
149.02315	100.0
153.00690	2.1
154.94180	1.8
158.99582	2.2
161.01212	1.6
162.63492	0.6
165.04358	0.7
167.03342	2.3
172.95276	5.8
176.05016	0.8
177.00682	5.8
189.00616	0.6
190.96396	7.2
195.01639	0.8
205.08678	0.7
207.01758	0.6
219.01630	0.6
237.02721	2.2
243.42053	0.5
262.10739	0.8
279.13257	5.9
279.23053	0.6
297.93936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96508	0.5
57.07016	2.4
57.47029	0.3
74.39446	0.3
85.07108	0.6
85.07598	15.2
86.06005	9.0
86.09624	0.4
89.03841	10.6
91.05412	0.4
93.06973	0.5
98.97502	0.7
103.05390	0.7
103.08651	3.9
106.04105	0.5
116.98562	0.7
117.03338	40.3
119.04910	0.4
120.08073	5.3
121.02823	1.2
122.98948	0.3
124.05148	0.4
134.03598	2.8
135.04398	3.1
145.02835	100.0
146.03169	1.2
147.04382	1.2
149.02338	19.2
149.05965	13.8
163.03831	0.7
177.05447	98.5
178.05769	0.6
186.05438	0.5
262.10675	0.6
279.13260	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	279.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	0.5
57.07004	2.8
59.04919	0.6
61.01071	6.1
64.30044	0.5
65.19212	0.4
67.05415	0.7
69.07001	0.6
72.04424	11.2
78.03288	0.8
78.03709	11.1
85.06467	0.9
86.05999	0.5
86.09623	11.8
88.02133	1.3
89.03809	6.4
95.04901	0.7
96.08109	0.6
97.51328	0.5
98.02354	0.9
99.05473	0.7
102.03696	14.1
103.02093	0.9
103.05388	0.7
103.12269	3.5
112.07569	0.5
113.05949	0.8
114.03683	0.6
117.03323	31.1
120.04733	1.2
121.02840	0.6
124.07521	0.8
125.41010	0.6
129.10242	0.6
131.06361	4.8
132.04727	8.0
134.03610	1.2
135.04346	1.0
139.23029	0.5
142.08601	2.1
145.02815	100.0
146.03136	0.7
147.04390	0.7
149.02310	9.4
149.05968	12.9
149.07414	22.7
149.08505	1.0
163.03831	0.8
177.05423	99.0
178.05782	0.8
186.05534	0.7
192.60384	0.5
203.18553	0.5
261.12582	7.6
279.16971	16.9
304.13760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1701
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
55.05436	0.4
56.96499	4.0
57.07011	8.9
58.19514	0.5
65.03857	2.3
67.05423	1.2
71.08041	0.5
71.10004	0.5
72.04471	0.5
72.08064	0.4
77.15247	0.5
79.05403	0.5
81.06966	2.3
86.09628	58.4
91.05391	3.1
93.06963	2.3
95.04887	0.6
95.08536	0.8
98.05943	0.6
98.97528	2.2
103.05408	7.7
115.08655	0.6
116.98566	2.4
119.04884	4.2
120.08057	100.0
121.02826	6.2
124.03869	0.9
132.10181	0.6
133.06392	0.5
134.99640	3.3
145.02831	0.6
147.04375	10.8
148.04774	0.7
149.02319	84.0
159.49716	0.5
163.03770	0.7
166.08659	3.6
167.03345	2.0
172.95229	2.2
177.00644	1.0
177.05403	2.1
190.96329	1.1
219.26630	0.5
233.16397	0.7
256.08636	0.6
257.03210	2.1
279.17017	5.8
296.71475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33245	0.2
56.89563	0.2
57.07015	0.9
63.02287	0.3
68.07014	0.2
69.06982	0.3
86.09623	4.7
89.03835	5.5
89.05286	0.2
91.05402	0.4
94.61786	0.2
103.05411	0.3
103.12272	1.9
106.04085	0.3
111.99382	0.2
117.03325	29.5
121.02774	0.4
124.05212	0.3
127.63906	0.3
129.10168	0.4
134.03592	2.0
135.04370	2.0
145.02821	93.8
146.03197	0.5
147.04398	0.4
149.02312	7.5
149.05948	12.7
151.40341	0.2
154.62160	0.2
163.03835	1.1
177.05428	100.0
178.05760	0.5
186.05502	0.6
279.16946	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	279.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25054	0.3
55.05447	0.3
56.96483	0.8
57.07013	3.1
57.28058	0.3
63.53128	0.3
63.99258	0.3
65.03854	0.5
69.03349	0.4
69.06971	1.7
72.08054	0.8
79.05402	0.6
81.06962	0.5
86.09146	0.5
86.09628	9.1
89.03851	0.6
89.09357	0.3
91.05390	2.2
92.04889	0.5
92.10210	0.4
95.04905	0.5
97.02855	0.4
98.97534	0.8
103.05409	1.7
105.03361	0.5
105.06966	2.6
108.04416	1.7
111.31356	0.3
115.08619	0.4
116.98560	1.6
117.03323	5.1
118.04124	0.4
119.04885	2.3
120.05694	1.3
120.08039	1.4
121.02824	2.3
124.08659	2.3
132.05692	3.5
133.02814	1.7
133.06453	1.9
134.99612	0.6
135.04407	0.5
138.96106	0.3
145.01694	0.7
145.02814	11.1
146.03555	0.4
147.04404	2.4
148.05153	8.8
149.02315	30.7
149.05966	1.5
156.01134	0.5
160.05162	3.7
161.05919	0.7
163.07504	34.9
166.08667	0.4
167.03386	0.5
172.95323	0.5
176.04626	3.3
177.05414	10.3
191.06992	100.0
192.07339	0.5
201.82477	0.3
204.04372	0.7
210.90411	0.4
262.14334	1.7
279.08911	1.3
279.16937	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	279.2317
Annotation	(8alpha,13S)-8,13:13,17-Diepoxy-14,15-dinorlabdane
Peak:m/z	Relative Intensity
53.24506	2.2
55.01812	2.2
55.05445	13.9
57.06767	2.0
57.07008	20.9
65.03851	2.9
67.05428	96.2
68.15401	2.6
69.06985	17.4
71.08546	25.5
79.05405	15.7
81.06976	100.0
83.04903	4.3
85.10106	10.9
85.98531	2.4
91.05403	17.5
93.06960	22.9
95.08531	61.3
97.99377	2.5
99.08015	14.0
105.06977	11.7
107.08543	14.5
109.10113	21.3
113.09602	6.5
113.26680	2.8
121.02838	10.8
121.10126	5.2
123.11627	4.5
129.14053	2.7
131.08525	3.4
133.10066	5.3
135.11697	3.5
137.13156	2.9
147.11697	5.6
149.02307	76.3
163.14865	3.3
184.28828	2.9
279.23193	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
54.81171	1.7
55.01807	4.8
55.05457	27.9
57.03380	2.2
57.07004	12.3
57.58318	1.8
58.31106	1.8
67.05432	87.0
69.03334	2.1
69.06989	34.4
71.04903	3.8
71.08550	2.6
75.53489	2.0
76.29159	1.7
79.05407	30.7
81.06976	100.0
83.04909	8.2
83.08521	7.8
85.06454	3.2
90.50641	2.1
90.87379	1.9
91.05421	8.1
93.06980	29.1
94.60072	2.4
95.04922	2.3
95.08538	74.7
97.06453	4.3
97.10088	4.1
99.08041	3.0
105.06984	4.2
105.98700	2.2
107.08557	15.9
109.10086	16.9
121.02846	2.9
121.10091	11.3
123.11626	7.1
131.08531	3.8
133.10121	2.4
135.11656	4.7
137.13246	3.7
137.74487	1.8
149.02319	76.2
149.13222	3.0
154.94063	2.2
163.14767	2.4
172.95261	4.3
190.96330	2.3
236.77751	2.3
261.22247	7.6
279.23096	38.6
283.12494	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
51.22426	0.5
53.03880	0.6
55.05455	9.4
57.07007	1.1
57.15296	0.6
59.67791	0.5
65.03860	2.4
67.05431	100.0
69.06988	6.3
71.04892	0.8
75.09241	0.5
79.05412	10.8
81.06977	83.1
83.08527	2.8
85.06432	0.7
91.05401	3.3
93.06975	11.1
95.08533	63.5
97.06473	1.0
97.10094	0.9
101.61642	0.6
105.06979	2.3
107.08525	7.0
109.06441	0.6
109.10113	16.9
117.06965	1.0
119.08538	1.3
121.10094	4.7
123.08047	0.7
123.11664	6.6
131.08546	3.2
133.10039	1.1
135.11655	3.5
137.13214	4.1
145.10077	1.1
149.02301	6.2
149.09721	0.7
149.13226	1.3
149.90887	0.6
151.14828	0.9
159.11668	1.4
172.48552	0.6
173.13261	1.5
175.57285	0.7
177.12639	0.8
187.14786	0.7
195.13728	0.8
202.18829	0.7
203.57721	0.6
209.15355	0.8
212.53680	0.6
223.16820	0.7
279.23160	8.2
284.96732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.82906	0.8
53.60673	1.0
55.05443	7.2
60.59705	1.0
60.70768	1.1
67.05428	100.0
69.06982	7.4
79.05405	14.2
81.06974	86.6
83.08525	1.3
91.05405	1.9
93.06971	9.1
95.08530	63.3
100.80837	1.1
105.06978	1.4
107.08515	6.1
109.10108	15.5
111.11645	1.1
119.08520	1.4
121.10089	2.9
123.11642	7.4
129.74420	1.1
131.08511	6.2
133.10091	1.9
135.11639	1.5
137.13217	4.9
145.10081	1.7
147.11630	1.4
149.13235	1.2
154.30092	1.2
159.11630	1.9
173.13217	4.7
235.45326	1.4
244.30833	1.1
248.03459	1.1
278.55231	1.2
279.23029	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	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03896	0.9
55.05446	8.0
65.03860	2.2
67.05428	100.0
69.06993	6.8
70.86564	0.8
71.04907	0.9
74.39858	0.8
79.05410	12.7
81.06976	85.6
83.04895	1.0
83.08527	2.0
91.05387	4.8
92.10815	1.9
93.06980	9.2
95.08534	60.9
105.06959	1.6
107.08525	6.9
109.10117	17.2
117.06943	1.2
119.08494	1.4
121.10090	4.8
123.11641	5.7
131.08519	3.8
133.10069	1.3
135.11641	3.4
137.09654	1.0
137.13232	4.0
145.10057	1.2
149.02298	6.8
149.13252	1.2
151.14847	1.1
173.13245	1.4
191.14021	1.0
209.15279	1.7
219.82770	0.9
261.22150	1.5
279.23160	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	279.2316
Annotation	(8alpha,13S)-8,13:13,17-Diepoxy-14,15-dinorlabdane
Peak:m/z	Relative Intensity
54.44275	1.2
55.05445	7.6
55.09132	1.1
57.07014	5.7
57.22116	1.3
67.05426	100.0
69.06988	7.8
79.05416	11.2
80.47159	1.2
81.06975	82.7
83.08524	2.2
85.03250	1.4
88.17403	1.2
91.05419	2.8
92.10256	1.3
92.20429	1.2
93.06989	8.5
95.08529	59.9
105.06996	2.0
107.08543	5.9
109.10099	24.9
118.65318	1.3
119.08481	1.6
120.22413	1.4
121.02881	1.4
121.10094	1.9
123.11636	11.6
131.08487	1.9
149.02315	36.6
279.23026	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	280.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02279	0.2
64.33288	0.4
66.81441	0.2
78.04642	0.3
86.05978	0.5
89.03307	0.5
89.03839	10.6
91.05412	0.7
117.03328	43.9
119.74078	0.3
134.03589	3.2
135.04378	2.1
145.02823	100.0
146.03145	0.6
147.04404	0.3
149.02336	0.7
149.05951	15.2
150.02611	0.6
163.03883	1.2
177.05434	93.0
177.53726	0.3
178.05809	0.5
186.05493	0.3
236.16257	0.3
278.41321	0.3
280.11877	2.0
303.04755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24379	0.3
56.96495	0.4
57.07021	0.6
61.67997	0.3
69.03348	0.4
69.06989	1.8
70.07315	0.4
77.32920	0.4
79.05453	0.3
80.64723	0.4
86.05994	0.4
86.09631	11.8
87.09984	3.1
89.03845	12.8
91.05402	1.6
98.97556	0.5
103.05455	0.4
106.04122	1.3
117.03336	44.5
119.04919	0.4
120.08038	0.7
121.03008	0.3
134.03613	2.8
135.04405	2.8
145.02832	100.0
146.03201	1.8
146.06099	0.4
147.04395	0.6
149.02338	6.7
149.05968	16.2
150.02661	1.9
163.03847	1.5
177.05441	94.2
178.05840	1.5
186.05385	0.6
200.52704	0.7
257.08063	0.3
266.03351	0.5
274.15546	0.4
280.11749	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60830	0.5
51.74626	0.5
55.01810	2.2
55.05450	4.4
56.04977	0.9
56.96496	2.9
57.03372	1.1
57.07015	3.3
58.99529	4.3
59.08369	0.5
61.01075	0.8
65.03864	0.6
67.05434	6.3
69.03365	0.6
69.06989	3.6
70.06509	4.5
70.99485	0.9
71.08545	1.2
73.02840	4.0
74.00577	38.9
74.02310	0.9
74.75462	0.6
76.02116	0.8
79.05430	1.1
81.06973	2.2
83.08544	0.9
85.01062	4.9
86.00576	2.6
86.09633	1.4
86.98974	3.9
87.02622	0.6
88.02151	1.3
88.03924	7.1
89.00540	6.6
89.03844	4.9
91.05383	5.7
92.01627	3.9
93.06956	5.6
95.04868	0.8
95.08539	28.6
98.97506	5.7
99.08031	1.3
105.00029	3.9
105.07008	0.8
107.04936	0.7
109.20319	0.6
110.07104	0.9
112.11205	2.3
116.01640	1.3
116.98547	5.3
117.03331	18.7
118.03661	2.2
119.04882	7.4
120.01119	64.3
121.02856	2.1
123.08035	1.2
127.05714	5.3
132.01100	3.9
134.03603	3.1
134.99641	3.9
135.04416	3.1
136.11195	0.7
138.41460	0.6
141.09125	0.7
142.03197	0.7
145.02824	73.4
146.03165	6.6
147.04387	18.8
149.01248	1.5
149.02313	21.1
149.05959	8.2
150.02652	9.2
150.06276	0.7
153.00618	0.7
154.55927	0.6
155.05342	0.7
158.99673	0.9
161.01233	1.0
163.03877	3.0
167.02187	0.8
170.09958	4.0
177.05437	63.3
178.05743	5.9
179.02336	0.6
198.09474	1.2
206.05721	7.7
216.10484	5.3
217.08998	1.4
221.08047	100.0
234.14859	3.2
237.02731	2.4
239.04408	1.1
240.64389	0.6
244.09947	7.3
245.08293	1.0
262.11066	6.6
263.09418	3.9
279.16959	0.9
280.12051	7.7
280.15320	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	280.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51712	0.5
55.01795	1.2
55.05440	1.2
56.96490	2.5
57.03356	0.8
57.06995	3.0
58.99522	0.9
65.03845	0.8
67.05417	4.0
69.03321	0.7
69.06957	0.9
70.06490	4.4
71.08551	1.0
73.02823	2.7
74.00572	14.4
76.02140	0.7
76.40209	0.6
76.56369	0.7
78.59921	0.5
78.84968	0.6
81.03326	0.8
81.06953	1.4
83.08521	0.8
84.08041	0.6
85.01029	1.2
86.09610	1.3
86.98973	1.2
88.02143	0.8
88.03910	2.9
89.00539	2.3
89.03825	4.4
90.92405	0.7
91.05418	4.6
92.01624	1.2
93.06971	4.3
95.04879	1.0
95.08527	14.0
98.97511	5.3
105.00045	1.4
105.06992	0.9
107.04801	0.7
112.11194	1.1
116.07034	0.8
116.98594	4.8
117.02552	1.0
117.03325	20.3
118.03650	3.0
119.04861	2.6
120.01118	32.8
121.02836	2.5
123.07967	1.0
124.03855	0.7
127.05751	2.7
132.01103	0.8
134.03615	2.3
134.99622	2.2
135.04359	2.8
145.02817	72.4
146.03169	11.1
146.99677	1.0
147.04408	8.2
149.01172	1.3
149.02303	22.6
149.05919	7.3
150.02641	9.7
150.06357	0.9
157.75922	0.5
161.01283	0.6
163.03873	2.4
167.03394	0.6
170.09950	2.5
177.00676	1.2
177.05423	59.8
178.05753	12.8
187.05821	0.7
199.07663	0.7
206.05692	8.6
216.10501	4.1
217.08868	1.0
221.08043	100.0
234.14810	3.4
244.09926	4.4
262.10962	2.8
263.09378	1.0
279.16907	1.2
280.12048	3.2
280.15320	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	280.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81630	1.0
55.01800	6.2
55.05451	66.7
56.96487	0.8
57.03374	11.9
57.07001	2.1
57.74886	0.8
59.04940	0.9
65.03854	1.1
67.05424	17.3
69.03343	10.7
69.06986	9.4
76.52092	1.0
79.05412	20.0
81.06968	18.3
83.04892	5.2
83.08537	45.3
84.04375	0.9
85.06492	1.6
86.09610	1.1
89.03835	5.7
91.05383	4.5
93.06981	6.4
95.04845	1.2
95.08526	1.3
97.10095	100.0
98.97516	1.2
101.09619	1.3
103.05414	1.0
105.06896	0.9
107.08533	25.4
109.06429	0.9
109.10124	3.7
111.08004	1.6
116.98562	1.2
117.03325	21.8
117.06911	1.6
125.09582	76.2
134.03574	0.8
135.04350	2.2
135.08076	6.9
143.10622	5.8
145.02820	53.3
146.03131	2.1
147.04321	1.5
149.02289	14.7
149.05981	7.1
150.02628	12.4
153.09041	3.8
171.10170	3.7
177.03871	1.8
177.05426	48.2
178.05681	1.2
183.58545	1.0
189.11169	56.1
201.25252	0.9
202.45786	0.9
227.10484	2.1
227.12735	63.2
228.12952	1.1
245.13768	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	0.5
55.05450	9.4
56.04966	0.9
56.96491	3.0
57.07007	1.5
67.05433	3.8
68.99711	15.5
69.06991	8.0
70.02885	1.3
71.08545	0.7
72.08072	34.6
72.50464	0.6
73.02829	0.7
73.06460	1.4
74.02360	1.0
74.05995	3.4
79.05373	1.2
81.06990	4.7
83.08538	4.3
84.04439	0.8
85.02814	0.8
86.83884	0.6
88.03920	1.1
89.10712	6.9
91.05404	3.2
93.06965	1.3
94.03981	0.8
95.08527	5.3
97.02802	0.7
97.10131	4.4
98.05991	2.6
98.10806	0.6
98.97510	4.1
102.05488	1.4
103.05389	0.7
105.06979	1.3
107.04865	0.9
107.08538	1.3
109.10084	1.4
109.56962	0.6
110.03617	7.4
111.08013	0.7
111.11734	0.8
116.98547	4.2
118.06522	0.7
119.03493	6.1
119.08571	1.5
120.06545	2.6
120.08053	14.7
121.09997	0.7
125.05956	15.7
130.06514	2.4
133.10146	0.9
134.99594	2.9
135.11636	0.6
136.06163	100.0
137.04585	5.0
140.07149	0.8
147.11728	0.7
149.02322	1.3
150.02631	2.3
150.07721	1.0
151.02792	0.9
151.03897	12.7
151.05013	1.1
161.01096	0.7
162.04076	47.8
163.03879	0.6
166.08527	1.1
167.19800	0.6
193.04930	13.7
211.02805	1.2
236.12482	1.1
239.04251	0.7
239.66145	0.6
245.22415	1.2
246.07468	0.6
257.10541	0.7
263.23648	2.2
264.12241	3.3
281.09912	6.0
281.14819	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	281.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55920	0.2
55.05438	1.9
56.04972	1.3
56.96510	0.5
59.00332	0.2
66.37184	0.3
67.05423	0.7
68.99704	0.5
69.06980	2.0
70.02862	0.4
70.78996	0.3
72.08057	1.9
74.02352	0.4
74.05993	2.4
77.74727	0.3
81.06967	1.4
83.08534	2.2
84.15279	0.3
87.39088	0.3
88.03943	0.7
90.15150	0.3
91.05399	0.5
94.03986	0.3
95.08526	0.5
97.10120	0.5
98.97505	1.6
102.05469	1.4
116.98587	1.5
119.03510	5.6
120.06585	3.2
120.08055	6.5
125.40984	0.3
126.63633	0.3
134.99599	0.5
136.06161	100.0
137.04572	5.5
137.06430	0.4
144.44037	0.3
147.04453	0.3
150.02644	0.6
150.07715	2.7
151.02811	0.4
162.04077	49.9
166.08659	1.4
193.01730	1.7
193.04913	0.4
211.02792	3.6
224.18599	0.3
235.10738	0.6
239.04300	0.4
281.09854	6.8
281.14722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93891	0.4
53.00230	0.5
54.03400	1.9
55.04189	2.5
55.05453	7.8
56.04977	0.6
56.65687	0.3
56.96498	3.4
57.03372	1.0
57.07004	2.3
63.00151	0.4
67.05417	2.8
68.99709	6.6
69.03338	2.0
69.06995	5.9
70.06480	0.8
72.08070	17.6
73.06467	2.1
74.05994	0.5
76.00159	0.4
76.56294	0.5
79.05408	2.2
81.04453	14.2
81.06973	4.2
82.04783	0.8
82.05235	8.8
83.04874	0.6
83.08553	3.5
84.08062	0.6
85.02835	2.2
87.04402	0.5
89.10693	3.7
91.05405	1.0
92.10204	0.6
93.06979	1.1
95.04822	0.5
95.08534	3.9
97.02809	0.8
97.06435	0.5
97.10104	2.7
98.06018	0.6
98.97514	4.1
101.05950	2.1
105.06992	0.8
107.04910	0.8
107.08540	0.7
108.05526	0.7
109.10097	1.0
110.03596	4.0
110.07093	0.6
111.04345	0.7
111.11691	0.6
116.98557	4.7
119.07008	0.4
120.08048	1.2
122.07108	17.3
123.07883	100.0
125.05946	6.7
127.03919	0.8
133.10118	0.8
134.99623	3.3
136.06161	27.2
137.04576	0.6
141.02153	0.6
143.07217	0.5
145.02815	0.5
147.04398	0.7
149.02290	1.1
150.02637	0.6
151.03865	7.0
151.08388	0.8
153.00694	0.6
158.99486	0.6
160.04216	1.1
161.01167	2.1
162.04079	8.5
163.03862	0.7
165.07690	5.3
177.00664	1.1
193.04909	6.1
197.03366	0.6
211.02806	0.7
224.97668	0.6
235.10489	1.0
261.02850	2.1
264.12338	2.0
281.10629	36.4
281.14832	4.8
282.11456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	22.1
55.05449	26.7
55.65162	4.4
56.96501	12.7
57.07001	6.5
65.03857	5.2
67.05431	49.1
69.06980	53.8
71.56115	5.1
78.99014	4.6
79.05420	31.2
81.06986	31.2
82.93787	5.8
83.04886	7.8
83.08550	8.8
89.03835	23.9
90.04232	5.3
91.05396	47.0
93.06974	30.5
95.04882	19.1
95.08539	31.3
97.02850	6.4
98.97506	21.5
105.06969	28.4
107.08523	9.8
109.06450	7.5
111.08026	13.1
116.98589	32.3
117.03334	61.5
117.06967	12.0
118.03671	41.0
119.04880	8.0
119.08521	25.2
121.06439	7.9
121.27663	5.0
123.04399	12.2
123.08028	25.6
129.06989	8.3
131.08521	21.3
131.53871	6.1
133.06400	19.2
133.10112	10.3
134.99651	22.4
135.04358	7.9
139.07530	8.5
141.05414	7.4
142.07800	8.4
143.08527	9.8
145.02823	100.0
146.03159	79.3
147.04385	8.8
147.08009	8.4
149.02318	8.9
149.05981	32.3
150.02588	7.5
150.06377	8.1
151.02950	5.7
156.09265	11.5
157.10103	10.7
161.05963	6.7
171.11627	9.3
177.00685	9.3
177.05435	96.4
178.05806	88.7
189.12766	8.7
199.11079	12.0
203.10617	6.8
207.06494	20.9
217.12166	11.7
245.11713	27.3
263.12665	8.0
281.13864	9.6
281.95245	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	281.1492
Annotation	3061-91-4
Peak:m/z	Relative Intensity
55.01780	0.7
58.06268	1.1
58.06533	18.0
58.29915	0.6
59.07317	13.9
60.08094	31.8
61.65753	0.7
65.47949	0.9
65.50188	0.6
72.08073	0.8
82.02865	0.7
86.05029	0.7
88.71147	0.9
100.07568	1.3
105.06958	9.2
107.04893	15.5
117.10168	1.0
119.04879	1.3
131.04877	1.9
133.06451	16.0
134.05980	69.8
135.06342	1.0
147.04393	6.9
148.07509	8.5
174.09897	1.3
176.07019	11.8
202.60338	0.9
232.42281	0.9
235.14362	42.3
281.14880	100.0
282.15067	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1491
Annotation	3061-91-4
Peak:m/z	Relative Intensity
51.53352	0.7
55.53338	0.7
58.06264	1.2
58.06530	20.8
59.07312	11.9
59.36130	0.5
60.08094	28.7
61.63374	0.6
62.56691	0.7
63.05012	0.7
64.55255	0.7
69.14809	0.6
70.06501	1.6
72.08059	0.9
79.30538	0.7
84.08065	1.0
103.91647	0.7
105.06961	7.8
107.04900	16.2
117.10159	1.0
118.08624	1.1
119.04913	2.7
122.06998	0.8
130.70961	0.8
131.04906	1.4
133.06456	14.9
134.05978	64.3
136.06096	1.1
146.05984	0.9
147.04391	8.4
148.07576	9.2
150.07703	5.8
152.05637	3.7
153.70073	0.7
166.07185	7.9
167.09613	0.7
176.07056	9.2
235.14362	39.4
281.14896	100.0
282.15295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1482
Annotation	3061-91-4
Peak:m/z	Relative Intensity
55.01834	0.6
55.05443	6.4
56.04940	0.6
56.11039	0.5
56.96490	3.9
57.03361	2.6
57.07003	1.3
58.06529	12.0
59.07311	9.0
60.07793	0.6
60.08094	17.6
62.54089	0.6
67.05407	1.6
69.03316	2.6
69.06982	6.3
70.06491	3.5
72.08051	4.5
73.02827	1.0
74.06001	0.6
79.05380	2.6
81.06954	4.0
82.02829	0.7
83.08526	4.4
83.09000	0.6
84.04415	1.0
84.08044	1.1
85.02826	4.5
91.05395	2.6
93.06978	1.4
95.08511	3.0
97.02807	2.6
97.10075	2.8
98.97510	7.1
100.07556	0.8
101.02245	0.9
105.06967	6.6
107.04903	9.9
107.08520	1.1
109.10074	1.2
110.07090	3.0
110.27248	0.6
116.98553	5.5
117.10158	0.9
119.04925	1.4
119.08533	1.0
120.08028	1.4
121.02795	1.3
121.06388	0.7
121.08391	1.0
128.98651	0.9
133.06458	10.7
134.05977	43.4
134.99594	3.7
135.06264	0.7
136.06146	19.6
136.07230	1.0
136.07608	0.7
145.04877	1.0
146.05956	0.8
146.98470	0.7
146.99573	1.0
147.04379	4.4
148.07542	5.4
149.01190	2.5
152.06792	100.0
161.01102	0.6
162.04039	7.0
165.01872	1.3
167.02184	1.3
176.07057	5.9
177.00679	3.8
189.00571	0.9
193.01305	3.4
235.05177	1.0
235.14357	27.1
237.02922	0.6
239.04301	0.9
245.22705	1.0
281.14880	72.1
282.15060	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	281.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	0.7
58.06265	1.0
58.06533	17.2
59.07316	11.7
59.68431	0.5
60.08100	29.1
67.05406	0.8
81.06972	0.6
98.97510	1.0
100.07569	1.4
103.05420	0.8
105.06975	7.3
106.06506	0.7
107.04900	14.4
116.98565	0.5
117.10212	1.0
118.08603	0.9
119.04861	1.1
120.08033	2.3
127.72116	0.5
130.06482	0.6
131.04871	1.2
133.06470	14.4
134.05988	59.4
135.06332	0.6
136.06219	0.6
140.27626	0.6
146.05913	0.5
147.04396	8.7
148.07539	8.5
152.06807	0.9
162.04076	0.9
176.07027	9.6
224.72400	0.6
235.14368	40.8
236.14561	0.6
281.14905	100.0
282.15335	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	281.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	2.8
56.46486	1.2
56.96488	1.2
66.77811	1.2
67.05429	3.0
69.06962	1.4
72.57054	1.3
77.25308	1.3
81.03308	1.5
81.06988	2.2
92.04908	1.3
93.06974	1.9
95.08524	2.5
98.97497	5.4
107.08533	2.4
109.02808	3.2
116.98571	6.6
134.99612	6.3
145.02713	1.7
146.32042	1.4
152.10667	8.1
153.00696	1.5
180.10185	1.8
192.81129	1.3
250.98625	1.4
281.17178	100.0
281.20322	3.2
299.06165	1.6
302.42908	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2473
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.03871	2.4
54.82204	2.4
55.05455	79.3
55.47219	1.9
57.07008	21.4
60.24946	2.0
64.33865	2.2
67.05433	37.5
69.03371	3.0
69.06990	100.0
71.04896	2.3
71.08547	3.1
76.31229	2.2
79.05415	16.7
81.06977	59.4
83.03209	2.1
83.08533	54.2
85.06462	5.8
88.30199	2.7
91.05410	21.5
93.06973	25.8
95.08533	52.8
95.85107	2.1
97.06463	5.9
97.10117	43.3
104.35410	2.2
105.06970	22.8
107.08527	17.9
109.10117	29.7
109.41566	2.4
111.11644	11.4
119.08522	19.0
121.10080	15.2
123.08054	2.9
123.11646	9.4
125.13204	3.0
133.10097	16.9
135.11650	4.5
137.09605	3.2
147.11649	11.5
149.13229	5.8
161.13184	11.3
164.61407	2.7
175.14763	4.9
179.14259	3.5
189.16223	3.2
213.12857	3.4
221.13145	3.7
245.22580	15.9
263.17877	3.1
263.23630	14.2
281.18832	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	281.2474
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.54482	1.4
52.47818	1.3
53.00254	1.6
53.03875	2.1
55.05186	3.2
55.05454	89.5
56.89809	1.4
57.03377	2.0
57.07006	21.1
67.05427	44.0
69.06989	100.0
70.18832	1.4
71.04930	1.7
71.08551	3.6
72.87002	1.4
79.05420	20.7
79.26444	1.5
81.06981	66.6
82.18737	1.8
82.72488	1.8
83.04915	2.9
83.08540	60.8
85.06456	2.9
91.05408	19.1
93.06977	29.7
95.08533	57.5
97.06472	8.6
97.10095	33.5
99.08031	1.8
105.07001	16.3
107.08565	19.6
109.06423	2.6
109.10091	23.3
111.08028	2.7
111.11650	10.5
119.08550	21.9
121.10089	14.9
123.08052	2.2
123.11657	6.4
133.04475	1.8
133.10094	12.6
135.11642	10.2
137.09612	2.4
137.13185	1.6
147.11650	10.4
149.13208	6.5
151.11180	2.6
160.59503	1.8
161.13240	7.9
163.14807	3.7
175.14751	3.2
189.16296	2.9
239.36569	1.8
245.22603	10.4
263.23663	13.0
281.24637	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	282.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14052	1.2
55.05456	15.1
56.44043	1.2
56.96501	16.5
57.07006	1.7
67.05420	3.3
69.07005	12.3
70.62692	1.3
79.05396	2.1
81.06970	9.7
83.04846	1.5
83.08536	7.6
95.08546	9.0
97.10089	3.3
98.97514	57.6
98.98154	2.9
105.06981	2.9
107.08540	3.0
109.10101	3.0
111.11674	1.7
116.98573	79.0
119.01826	7.5
119.08524	3.1
134.98592	3.5
134.99626	100.0
137.02956	7.2
151.02776	1.8
153.00691	35.4
156.97375	2.2
174.98485	11.0
177.00764	1.6
188.25027	1.9
192.68289	1.6
216.99690	2.6
217.09286	3.0
220.02339	1.6
236.98473	1.7
258.99716	14.3
277.00763	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1195
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
51.48223	0.2
52.36612	0.1
55.01820	0.3
56.65808	0.2
57.03369	1.0
57.50279	0.2
58.15373	0.2
59.04922	1.0
61.02831	0.2
63.84223	0.2
64.33691	0.2
69.03343	3.0
75.04398	0.4
85.02808	0.3
87.04391	0.4
88.46503	0.2
91.14698	0.2
94.03983	0.4
97.02832	0.5
101.05961	1.4
115.03899	0.2
119.03510	1.2
136.06158	100.0
137.04547	1.4
137.06464	1.1
142.94113	0.2
145.93600	0.2
147.06541	0.2
184.54727	0.2
211.06314	0.2
282.11926	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	282.1195
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
51.17880	0.2
55.01799	0.5
57.03355	0.9
59.04919	1.0
61.02840	0.4
66.32045	0.2
68.31628	0.2
68.76806	0.2
68.86324	0.2
69.03345	3.1
73.83122	0.2
75.04401	0.5
85.02819	0.3
87.04379	1.0
94.03966	0.5
97.02792	0.4
101.05952	0.5
115.03868	0.4
117.21951	0.3
119.03491	1.4
136.06151	100.0
137.04544	1.3
213.85974	0.2
282.11865	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2789
Annotation	Dodemorph
Peak:m/z	Relative Intensity
53.92721	0.4
55.05455	5.0
57.07018	7.2
67.05432	2.0
69.06989	4.2
70.06493	2.0
71.08552	3.2
72.04430	14.7
72.08069	42.0
79.05405	0.4
81.06965	2.2
83.08518	2.1
85.10128	0.4
93.32411	0.5
95.08523	1.0
97.10079	0.7
98.05970	1.8
100.07564	0.5
104.71064	0.4
107.08514	0.7
109.10152	0.4
114.09084	1.0
119.02108	0.4
126.09087	0.8
128.10681	3.7
142.12279	4.6
156.13834	1.7
163.02820	0.4
203.50864	0.4
204.31070	0.5
282.27850	100.0
283.28159	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	283.151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07839	0.1
53.08997	0.2
54.81939	0.2
55.02933	0.2
56.04966	0.2
69.06977	0.3
70.06475	0.2
76.10718	0.2
84.04430	0.2
84.08071	0.7
86.09615	1.5
92.66687	0.1
97.83211	0.2
102.05482	0.2
109.05059	0.8
110.03469	4.0
111.37238	0.1
118.23258	0.2
128.04510	3.5
134.04597	0.4
135.02963	3.2
136.06152	3.2
136.07266	0.2
136.07492	0.2
139.34004	0.2
150.07730	1.1
151.07112	0.3
151.08185	0.6
152.05644	100.0
153.04050	15.3
154.02460	0.2
298.53284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01920	0.4
55.01812	0.5
55.05449	7.1
56.04966	0.8
56.96502	0.7
57.03364	0.4
57.06998	0.6
58.75014	0.4
59.04936	5.5
60.04449	0.5
61.02825	0.5
61.89890	0.4
67.54324	0.5
69.03329	2.1
69.06992	0.5
70.06508	4.8
71.08525	0.6
72.04417	3.1
72.07664	0.7
72.08067	19.3
74.05977	4.4
81.03321	0.4
81.06961	0.7
84.04421	1.8
84.08054	0.8
85.02825	4.7
87.04401	7.3
89.03827	4.1
89.10699	3.1
91.05415	0.7
97.02818	1.1
98.05982	15.6
98.97517	0.8
105.05460	4.7
107.00587	0.5
111.04443	0.4
112.07537	0.6
114.09112	7.1
115.08632	5.5
116.98561	0.8
117.03328	18.9
122.07095	0.5
127.03884	0.6
129.51694	0.6
134.03564	0.8
135.04387	1.1
135.11667	0.4
136.06087	0.7
136.07547	0.9
145.02820	81.3
146.03177	0.7
149.05951	9.0
152.05659	23.0
152.06961	3.3
153.04048	2.2
166.04919	0.6
177.05429	100.0
178.05832	0.7
179.70055	0.5
185.82410	0.5
191.09384	2.3
193.49916	0.5
206.11734	4.9
248.12791	5.9
253.74193	0.5
265.15399	33.9
283.15836	0.7
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
51.55029	6.8
53.03894	10.7
54.95773	7.2
55.01821	12.2
55.05451	61.7
56.96506	16.9
57.03382	16.7
57.07008	16.9
61.56722	7.1
67.05436	65.7
69.03342	13.6
69.07000	76.4
71.04904	41.5
75.36633	8.6
79.05412	100.0
81.03339	15.7
81.06976	69.3
83.04916	90.0
83.08549	10.7
83.09372	9.0
91.05410	47.4
92.10931	12.4
93.06979	77.1
95.04900	42.1
95.08543	50.8
97.06463	17.3
105.06980	46.5
107.04907	41.7
107.08548	47.9
109.06460	19.6
109.10117	35.5
111.04421	9.7
117.06978	37.4
119.08506	31.9
121.02775	11.1
121.06513	10.6
121.10125	62.8
125.05958	20.8
131.08556	38.1
133.10098	10.1
134.99626	15.5
135.11697	10.6
145.10104	16.9
148.48517	9.4
149.09572	9.0
187.14870	10.8
201.16299	13.0
205.15897	10.9
223.16888	14.2
247.16808	18.8
265.17850	35.6
283.19196	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	283.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24250	3.8
55.05450	76.0
55.72443	4.7
56.96493	4.5
57.03338	4.4
57.07007	65.0
60.03020	4.3
67.05417	39.2
69.06985	100.0
71.08552	28.9
79.05419	20.9
81.06971	47.9
83.08549	40.9
85.10098	9.9
91.05399	6.1
93.06976	38.5
94.39656	4.1
95.08535	31.0
97.06454	18.9
97.10088	28.1
97.76794	3.9
107.08554	34.6
109.10110	8.2
116.98570	5.2
121.10094	23.2
135.11641	10.8
149.13235	7.7
167.14243	5.7
169.02359	4.4
170.12207	5.1
246.03421	4.4
247.24246	19.6
265.25409	5.8
289.91647	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0986
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01798	0.3
57.03362	0.4
61.87481	0.3
62.69874	0.3
70.06504	0.4
85.02843	0.3
92.10821	0.5
109.05055	0.6
110.03475	3.2
128.04517	1.3
135.02986	5.2
152.05652	100.0
153.04057	13.7
153.05943	0.4
154.48831	0.3
172.80408	0.3
184.88243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1276
Annotation	N-P-Coumaroyltyramine
Peak:m/z	Relative Intensity
53.03891	1.0
56.94779	0.7
72.90486	0.7
78.14469	0.7
91.05389	23.0
92.10424	1.2
93.06976	17.0
95.04874	4.9
103.05396	15.0
105.04385	0.7
109.81174	0.7
119.04888	39.0
121.06451	68.4
142.16788	0.8
147.04378	100.0
164.06995	1.4
284.12784	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	284.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	0.8
55.05444	0.6
56.96495	1.7
57.07026	2.8
65.03855	0.6
67.05426	0.6
69.06989	0.6
71.08541	0.8
76.56087	0.4
79.05406	0.7
81.03327	0.4
81.06968	0.6
88.28505	0.4
91.05412	24.0
93.06974	15.7
95.04903	6.1
95.08495	0.4
100.11209	1.6
103.05407	12.2
105.04474	0.6
114.09082	0.4
116.82271	0.4
116.98607	0.6
119.04900	38.3
121.06466	61.8
122.83434	0.4
128.07880	0.4
147.04395	100.0
164.07001	1.7
190.91919	0.4
210.54022	0.5
238.03827	0.6
284.12759	15.1
293.27496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97918	0.5
53.03885	1.3
55.01800	4.3
55.05442	2.9
56.96498	2.5
57.03376	6.7
57.07014	4.5
59.04933	78.7
61.02853	7.9
64.33717	0.6
69.03008	0.7
69.03351	12.5
69.06959	0.7
70.06503	14.8
71.01260	1.1
71.04918	0.8
71.08526	2.9
72.08063	2.3
73.02820	3.7
74.05965	0.6
81.03349	5.0
83.01251	0.8
84.08064	1.5
85.02827	42.7
87.04391	100.0
91.03862	1.1
97.02818	14.3
98.05975	1.6
99.04366	2.8
99.06227	0.6
105.05446	53.7
109.02818	4.6
110.03477	1.4
112.07559	3.1
115.03883	0.7
115.08693	0.8
116.07061	0.8
116.98604	0.9
117.03325	1.3
118.03623	0.9
119.65651	0.7
127.03881	5.0
127.45369	0.6
128.04453	0.9
128.98523	0.8
130.08572	3.3
133.04927	0.8
134.99623	1.1
135.02994	0.9
136.01379	4.0
136.06166	1.0
141.10173	1.4
143.02937	0.7
145.02811	8.0
145.04922	3.4
146.03157	5.2
151.03870	0.7
152.05650	44.3
153.04053	27.3
154.02435	6.1
157.01819	0.9
164.34698	0.7
173.02942	1.0
177.05417	9.1
177.08566	0.7
178.05794	7.9
213.12346	0.7
237.02815	0.9
266.15775	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	284.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	4.2
57.03361	1.4
57.06738	1.0
57.07014	28.3
60.08097	2.9
60.22165	0.6
67.05412	1.2
67.58140	0.6
69.06996	5.0
71.04928	2.3
71.08547	9.3
74.04500	0.6
74.05988	8.5
81.06968	0.8
83.08533	3.8
85.06430	0.6
85.10126	1.1
86.06010	0.7
88.07559	25.2
92.10869	2.6
95.08533	1.0
97.06471	0.7
97.10124	1.0
102.09117	14.7
116.10680	2.7
130.12262	1.0
173.54945	0.7
173.85245	0.7
266.41974	0.7
284.29443	100.0
284.32730	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	284.2945
Annotation	Stearamide
Peak:m/z	Relative Intensity
53.24876	0.7
55.42050	0.7
57.07012	15.5
57.87214	0.7
60.04467	2.1
60.08087	1.7
66.56653	0.8
69.06970	0.9
71.08539	5.6
71.36794	0.7
72.04415	3.9
102.09113	5.6
116.10702	8.8
130.12254	4.5
144.13818	1.0
206.77124	0.9
284.29440	100.0
284.32910	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	284.2944
Annotation	Stearamide
Peak:m/z	Relative Intensity
52.96901	0.6
55.05461	0.8
57.07007	12.5
60.15136	0.7
64.78233	0.6
69.34436	0.6
71.08537	3.6
72.04415	9.4
76.56251	0.8
80.65652	0.7
85.10122	0.9
89.22695	0.6
102.09106	3.5
116.10686	6.1
130.12242	1.1
212.29265	0.9
221.85974	0.8
233.36194	0.7
277.10574	1.0
284.29410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2945
Annotation	(2r,6s)-4-dodecyl-2,6-dimethylmorpholine
Peak:m/z	Relative Intensity
54.56997	0.8
54.63077	1.0
54.82077	1.2
55.05439	2.2
57.06735	1.6
57.07014	41.6
58.06524	2.0
60.08097	38.5
69.06985	2.7
71.08549	10.9
72.04406	1.9
74.05985	6.9
74.78096	0.9
83.08539	2.0
85.10101	4.2
87.15488	1.0
88.07557	25.3
95.08494	1.2
102.09128	12.2
116.10700	4.4
118.84789	1.2
134.14671	1.1
136.06136	1.8
152.05672	1.6
185.60022	1.2
228.23195	53.9
250.59538	1.1
284.26242	2.1
284.29416	76.9
284.33035	100.0
305.16605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98219	1.7
57.07015	26.4
58.06532	1.7
60.04433	7.4
60.08093	31.4
63.87505	1.5
66.32548	1.7
67.05453	1.7
70.21312	1.8
70.67712	1.3
71.08533	10.7
74.09638	35.1
85.10097	2.6
88.12088	1.8
104.36028	1.5
118.18655	1.5
188.68907	1.8
203.90721	1.8
284.29407	100.0
284.33029	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	3.0
56.96492	4.1
57.06990	10.6
68.24062	2.2
70.62022	1.8
71.08543	4.0
72.08058	2.8
72.93693	2.6
73.87848	2.1
81.06967	4.0
82.18063	2.6
84.92838	2.2
85.10097	3.4
90.94761	4.5
91.05397	8.6
97.06448	3.4
100.07513	2.5
101.12444	2.4
119.08477	2.2
134.99614	3.0
146.06049	2.5
147.04366	14.9
151.49867	2.3
165.52499	2.5
167.97108	9.7
249.61035	2.8
285.10068	5.2
285.13034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43672	0.4
55.05439	0.5
56.96495	2.5
57.07000	0.4
58.99511	1.9
59.72858	0.3
61.02841	0.4
64.33842	0.4
66.38074	0.4
69.03337	0.7
69.07001	0.6
70.06494	2.4
72.08053	3.4
72.93693	2.0
73.02821	0.5
76.02135	5.2
78.03359	0.4
80.04935	2.1
81.03320	0.6
84.04430	0.5
84.08058	0.5
85.02827	3.1
86.98960	1.8
90.94735	1.8
91.05390	0.6
95.04894	19.6
95.08505	0.4
96.04418	1.6
97.02838	1.5
98.97498	0.6
102.80949	0.4
103.05344	0.4
105.00029	2.8
106.02856	3.2
111.86452	0.4
112.05041	1.0
116.07028	2.8
116.98594	1.0
121.06448	1.7
121.07364	0.5
122.02677	9.3
123.04382	100.0
124.03911	56.1
124.75627	0.4
134.99620	0.9
149.13066	0.5
149.96086	0.6
151.02220	0.5
162.05484	0.7
165.05434	14.9
167.97166	2.0
172.97676	0.4
190.98700	0.8
207.01724	1.0
237.02829	0.7
286.09235	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	286.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.7
56.96489	2.6
58.99507	2.0
63.58157	0.4
69.03349	0.9
69.06979	0.4
70.06510	3.3
70.09364	0.3
71.04910	0.6
72.08052	0.6
72.93685	1.8
73.02816	0.6
76.02144	4.9
80.04934	0.5
81.03368	0.4
84.04429	0.4
85.02818	1.7
86.09673	0.5
86.98945	1.2
90.94740	2.5
91.05422	0.7
92.65086	0.4
93.06995	0.5
95.04894	17.1
96.04408	0.4
97.02807	0.6
98.97563	0.5
103.05396	0.4
105.00042	2.5
106.02844	0.6
108.95802	2.1
112.05032	20.9
116.07047	0.6
116.98563	0.6
119.04936	0.3
120.07938	0.4
121.06435	1.8
122.02676	10.4
123.04376	100.0
124.03909	30.4
131.01773	0.4
134.99631	0.6
146.99725	0.4
149.96060	0.7
154.06094	7.3
157.87750	0.4
165.05431	16.4
167.97130	3.5
172.97733	0.8
174.81287	0.4
177.00650	0.6
190.98698	0.5
219.01678	0.5
286.09146	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	286.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	0.6
55.05441	2.8
57.06740	1.5
57.07008	34.2
58.06517	4.5
58.67707	0.6
62.06011	13.7
67.05404	1.4
69.06976	2.7
71.08544	12.2
81.06969	0.9
83.08556	0.8
85.10088	3.2
91.05339	0.8
154.94295	0.7
156.17445	0.9
172.95227	1.6
174.18491	2.7
186.96825	5.5
204.97791	4.3
212.23679	16.0
230.24731	68.6
270.40778	0.7
286.30969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06502	0.3
71.31095	0.3
84.08036	0.4
92.10792	0.3
94.03988	0.3
109.05077	0.4
110.03450	2.1
113.22501	0.3
119.03478	1.6
128.04507	1.4
133.22842	0.3
134.12967	0.3
135.02963	1.9
136.06154	100.0
137.04541	1.3
152.05643	56.9
153.04053	6.1
157.85362	0.3
268.00223	0.3
300.80365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2003
Annotation	Cannabidivarin
Peak:m/z	Relative Intensity
51.54398	1.4
54.81307	1.5
55.05453	12.5
56.96492	7.0
57.07017	2.1
58.36961	1.5
60.26376	1.7
61.47873	1.5
63.62149	1.9
67.05424	11.9
69.06977	10.6
79.05410	9.1
81.06964	16.5
83.08546	7.0
91.05408	11.9
92.10838	2.6
92.63763	2.0
93.06974	12.2
95.08535	11.0
97.10065	2.4
98.97525	1.9
99.64554	1.8
105.06976	11.0
107.08551	14.3
109.10103	8.5
117.06969	22.3
119.08535	8.0
121.06425	2.1
121.10116	2.9
129.06987	2.8
131.08539	32.4
133.10080	3.6
134.99562	2.5
135.04422	2.0
135.08015	2.3
135.11667	4.0
138.52911	1.9
143.08546	1.8
145.10098	9.8
147.11659	2.6
149.05943	8.0
149.13240	1.9
153.09073	1.9
159.11658	9.9
161.05963	8.3
167.09000	1.7
175.07487	13.3
177.09061	2.7
187.11159	9.3
191.10657	3.6
199.11296	1.9
203.10629	2.6
205.12222	48.6
237.10197	1.9
241.19482	9.9
266.04083	1.8
269.18829	2.0
287.20016	100.0
288.20303	2.0
302.90848	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.5
55.05453	13.8
57.07011	1.7
58.62645	0.2
67.05437	0.6
69.06990	100.0
70.07308	0.4
71.04912	2.5
71.08573	0.3
71.14495	0.3
71.38261	0.3
76.38215	0.3
79.36890	0.3
82.64745	0.3
83.08545	3.8
89.05985	0.3
107.20582	0.3
111.11673	43.1
143.49820	0.3
199.16908	3.0
286.31113	0.7
287.31519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96487	0.9
57.03370	0.8
57.32736	0.4
58.47351	0.4
58.74575	0.4
68.04966	0.6
69.03345	0.9
69.06967	1.0
70.06519	0.6
72.08067	1.1
78.31618	0.4
79.05416	0.5
81.07034	0.6
83.06019	1.0
83.30750	0.5
84.04432	0.5
85.02826	0.8
86.09630	9.6
89.03838	9.3
91.05403	0.7
92.64472	0.5
95.06013	25.7
97.02827	0.6
98.97495	0.8
103.78011	0.4
105.06995	0.6
110.07071	0.4
112.08669	36.9
116.98540	1.0
117.03317	34.1
119.01865	0.6
119.04855	0.6
130.06497	1.1
134.03592	1.1
134.99597	0.5
135.04369	3.2
138.06561	3.1
143.11813	1.9
145.02815	100.0
146.06056	0.8
149.05952	14.1
162.05438	2.0
163.03792	0.5
171.11249	0.6
177.05420	94.9
178.05798	0.8
181.00223	0.5
186.05452	0.6
203.52795	0.5
238.03769	0.5
261.02652	0.9
270.12341	0.7
282.02676	1.1
288.10172	1.0
288.13339	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	288.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66059	0.9
51.94680	0.8
54.81967	0.8
56.04711	1.3
56.04968	17.3
56.96500	1.7
57.06776	1.1
57.07011	21.4
61.96127	0.8
68.58492	1.0
69.06993	2.0
71.08535	7.6
74.05602	2.0
74.05991	38.3
81.06974	2.1
85.10101	2.4
88.07552	100.0
95.08527	1.5
97.45401	1.0
102.05458	4.0
104.99215	1.2
107.08511	1.7
115.00620	1.0
116.07018	1.4
120.06498	6.6
125.51627	1.0
138.52963	1.3
242.24748	31.2
270.24173	3.5
288.25272	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0916
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03873	17.0
55.01814	3.3
55.05446	3.4
56.96487	2.9
57.03371	3.3
61.02831	3.2
64.66016	3.0
67.05424	3.8
67.25117	2.7
68.83521	3.1
69.03323	14.4
69.06984	6.2
69.94625	2.9
70.06512	23.9
71.04890	16.0
72.08051	6.1
79.05409	7.7
81.03336	73.4
81.06953	7.9
83.04894	4.1
84.04401	4.1
85.02847	28.9
91.05391	4.5
93.06956	15.1
95.04891	4.6
95.08504	4.2
97.02818	31.0
98.97498	3.9
99.04362	14.8
109.02173	4.6
109.02836	100.0
109.06475	4.1
116.07026	3.8
116.98566	4.8
119.01814	3.5
119.08502	3.6
121.10081	7.6
127.03880	99.4
130.06496	4.1
136.74754	2.9
145.92197	3.3
146.05960	5.8
149.01199	4.5
157.12044	3.4
169.04910	5.9
225.28902	3.6
242.67998	3.1
266.05261	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33494	0.3
56.96492	2.3
58.06528	2.2
60.05564	0.4
62.01728	0.4
66.06038	0.4
69.06986	0.9
70.06508	86.3
72.08068	1.8
75.49699	0.4
81.03357	0.5
82.73642	0.4
84.04421	0.6
84.08053	0.7
86.09625	100.0
88.33574	0.5
98.06005	0.5
98.97520	3.4
109.02825	0.7
112.07549	53.8
113.61060	0.4
116.07039	20.6
116.98566	2.9
126.69850	0.4
127.03893	0.6
132.10167	30.7
134.99634	2.7
136.06171	0.6
140.07028	6.5
152.05730	0.6
154.04958	0.7
155.72845	0.4
158.08089	37.6
184.24001	0.5
207.05492	0.6
230.06958	0.5
248.08014	2.0
260.00894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2369
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.64334	1.6
53.00232	2.1
55.01816	1.8
55.05186	4.2
55.05450	90.9
56.96495	2.7
57.03373	2.2
57.07012	22.2
57.69588	1.6
60.45420	2.0
61.25890	1.6
63.26651	1.5
64.66422	1.7
67.05430	68.2
67.05781	3.4
69.06989	100.0
70.04626	1.5
70.06513	2.1
71.04914	7.9
71.08530	2.9
71.70936	1.7
72.78436	1.6
72.88181	1.5
79.05411	23.3
81.06976	87.3
81.07452	3.3
83.04900	3.8
83.08544	55.5
85.06466	8.0
88.07569	2.7
91.05410	23.2
92.63634	2.0
93.06969	38.8
95.04852	1.9
95.07963	3.9
95.08535	86.3
97.06468	13.6
97.10100	43.0
99.08014	3.2
105.06982	18.5
105.73242	1.9
107.08553	24.2
109.06425	2.4
109.10101	33.4
111.08051	8.0
111.11661	11.0
119.08536	18.3
121.10118	31.9
123.08018	4.5
123.11678	12.2
125.09597	3.6
133.10118	21.0
133.73010	1.8
135.11662	26.4
137.09590	4.2
137.13229	4.4
139.11182	4.0
147.11679	18.5
149.13206	6.9
153.12849	2.4
161.13222	14.4
165.12727	3.0
175.14757	2.3
179.14221	2.8
193.19615	2.2
201.76053	2.0
217.19458	22.6
228.23251	4.6
235.20557	23.1
242.79892	2.2
253.21567	20.8
289.24860	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76565	0.8
51.25334	1.1
54.43685	0.9
54.82230	1.0
56.04969	22.7
56.96469	1.1
57.07006	18.9
58.06524	12.1
60.04441	2.4
62.35252	0.9
69.06985	1.0
69.84595	0.9
71.08541	7.6
74.05984	18.8
85.10081	1.4
86.05991	4.7
88.07550	92.3
89.89555	0.9
90.17054	1.1
96.55008	0.9
111.69031	1.0
118.08582	16.9
121.19440	0.9
122.08083	5.7
228.23267	1.4
242.24721	72.3
244.11896	1.2
272.25769	2.5
290.26825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62246	1.0
51.20234	0.7
57.06771	1.1
57.07016	18.8
58.06520	4.8
65.53293	0.8
70.06139	1.4
70.06509	40.0
71.08539	4.1
72.08075	1.1
85.10100	1.2
88.07557	46.0
98.53359	1.1
102.08526	1.2
102.09113	30.7
132.10205	1.2
146.11609	1.0
184.20584	1.5
225.18442	1.0
228.21347	0.9
228.23181	72.6
272.25784	5.1
290.26834	100.0
312.17459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71944	0.7
57.06771	0.9
57.07011	15.6
58.06518	1.1
64.13546	0.8
70.06136	1.4
70.06506	27.3
71.08530	3.6
73.98744	0.8
84.08070	2.0
85.10071	1.3
85.28265	0.8
88.07551	30.2
92.10217	2.1
98.10128	0.9
102.09107	1.4
106.08595	4.5
111.45949	0.8
114.09120	11.2
118.08569	4.3
120.04836	0.7
132.10164	35.4
150.11235	26.4
150.30159	0.8
204.73259	1.0
214.21591	1.4
222.11417	1.0
225.04637	0.9
226.27776	0.9
228.23131	1.3
246.24239	8.6
290.26813	100.0
291.27209	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06524	26.2
58.25867	12.3
59.01960	11.7
60.17943	12.3
68.79567	11.5
70.06505	57.0
71.02655	15.3
74.01429	12.3
84.04424	21.3
92.10873	16.5
112.95650	11.4
114.35944	12.4
116.07027	74.4
125.38483	12.6
130.90208	12.0
180.73615	13.5
203.52579	12.2
270.15918	13.5
291.08334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0973
Annotation	Indole-3-acetyl-L-aspartic acid
Peak:m/z	Relative Intensity
51.76464	0.2
55.01804	0.1
55.05438	0.2
56.45773	0.2
56.96502	0.2
57.03372	0.2
64.58145	0.2
74.02355	2.6
88.03911	3.8
92.10834	0.3
98.97505	0.2
101.05957	0.2
103.05429	0.5
107.08550	0.2
116.03387	1.6
119.44052	0.2
129.13579	0.2
130.06490	100.0
131.06815	1.1
134.04446	4.3
146.05951	0.2
182.05989	0.4
247.99872	0.3
257.62451	0.2
273.08713	0.3
291.09479	1.0
308.89352	0.2
309.29327	0.2
313.89761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.113
Annotation	Piperafizine B
Peak:m/z	Relative Intensity
50.33601	0.6
51.88047	0.5
54.79326	0.6
55.05458	8.4
55.07048	0.5
56.96504	1.1
57.07006	0.8
65.03870	0.6
67.05419	3.1
69.06990	1.0
71.04877	0.5
72.08074	34.0
73.20332	0.5
73.33672	0.6
79.05392	0.9
81.03341	0.7
81.06968	3.4
84.95950	0.7
87.00760	0.6
91.05394	1.5
93.06977	1.2
98.97540	0.6
100.11186	2.8
116.98532	1.1
118.06499	1.4
119.04903	1.1
123.11646	0.8
128.04883	3.3
132.04422	1.2
134.99710	0.9
145.02831	0.8
146.05994	100.0
147.04416	1.2
174.05431	5.2
175.03828	1.4
182.15359	1.2
191.07326	0.9
199.12279	1.0
206.09647	2.7
207.06497	0.8
216.07980	0.8
217.08765	1.5
220.07523	1.0
227.11630	1.3
233.08290	2.6
234.09105	11.4
245.08275	1.0
245.10515	0.8
245.12842	17.9
246.09018	2.3
262.08588	46.7
263.08847	1.2
273.10025	5.8
274.08527	2.7
291.11212	57.1
292.11588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13848	0.7
55.05458	7.7
56.96500	1.4
67.05431	4.2
69.06970	0.9
70.06519	1.1
71.04887	0.7
72.08071	39.1
79.05365	1.1
81.03316	1.7
81.06965	4.1
82.06490	1.2
82.90072	0.9
83.04933	1.4
83.08549	1.0
91.05405	1.9
92.10249	2.3
93.06963	1.2
97.02819	1.8
99.04424	1.1
100.11179	5.5
107.08549	1.2
111.04393	1.0
116.98610	0.9
118.06452	0.9
119.04918	0.8
119.61846	0.9
120.13377	0.9
128.04916	3.7
129.06999	2.0
130.06511	1.0
130.57106	0.8
132.04446	1.6
141.11458	1.4
145.02823	2.1
146.05989	100.0
147.04378	1.5
174.05417	6.5
181.33768	0.8
182.15355	1.7
191.03413	1.0
199.12408	1.1
199.66161	0.9
227.11833	1.3
244.33287	0.9
245.12808	17.9
255.15866	1.1
262.08609	3.3
282.02737	1.0
291.08493	1.1
291.11380	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12701	0.3
53.03880	0.5
55.01789	0.5
55.05442	0.5
56.96500	0.5
57.03384	0.5
60.03502	0.3
62.66465	0.3
66.13525	0.4
67.05418	2.2
69.06978	0.4
70.62597	0.3
71.08527	0.4
71.87601	0.3
77.03844	0.4
77.51822	0.4
78.89877	0.4
79.05396	0.8
81.06968	2.1
91.05408	2.7
91.46388	0.3
93.06959	2.0
95.04889	3.0
95.08505	0.7
103.05398	52.5
105.06970	0.8
107.08549	0.7
109.06454	2.3
115.05417	0.5
116.17011	0.4
117.06979	3.5
130.06491	0.6
131.04887	100.0
132.05225	0.6
134.99614	0.5
135.08031	2.7
143.07266	1.5
144.08057	49.3
145.06482	0.4
150.34500	0.4
170.06030	0.5
181.42787	0.5
191.84770	0.4
193.07568	0.4
253.20021	0.4
273.18396	0.8
274.12180	3.0
291.14914	3.7
291.19315	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.5
55.01815	1.6
55.05445	1.8
56.96500	0.8
57.03353	0.5
57.07018	0.4
61.01080	21.7
66.37460	0.3
67.05435	3.1
69.03363	0.9
69.06985	2.4
70.06507	0.8
71.04907	1.0
72.08102	0.4
79.05409	2.4
81.03336	1.7
81.06971	4.7
83.04937	0.9
84.04422	1.8
84.08067	100.0
85.02811	2.9
85.06470	1.7
85.08369	0.4
86.06004	0.5
86.09628	1.0
89.03831	0.5
91.05408	3.3
93.06984	3.0
94.60303	0.4
95.04908	0.6
95.08528	2.2
97.02829	1.8
97.06458	0.7
98.97517	0.8
99.04438	0.4
99.07994	0.4
103.05436	0.7
105.06977	1.8
107.04944	1.0
107.08542	1.6
109.06416	0.5
109.10091	0.8
110.07098	0.5
111.04412	0.5
113.02235	0.4
116.98557	0.8
117.03321	0.5
117.06963	1.9
119.04878	1.7
119.08560	0.6
121.02836	0.9
121.06464	0.9
121.10051	0.4
130.06511	2.5
131.00156	1.0
131.06870	0.6
131.08553	1.7
132.08394	65.6
133.10106	2.0
134.99657	0.6
135.08017	0.5
135.11627	1.5
138.69649	0.5
145.02814	0.8
145.04935	0.6
146.05998	0.7
147.04390	5.7
149.01193	1.6
151.11247	0.6
159.11658	1.6
162.70012	0.4
163.03847	3.6
173.01186	0.7
173.13248	0.6
177.00661	0.4
177.12726	0.8
191.02289	0.8
195.13751	0.5
204.10194	0.6
215.13965	0.8
219.13797	1.6
237.14815	2.1
255.15742	0.6
291.17291	14.6
291.20288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03893	5.3
55.01808	22.8
55.05450	74.2
56.96499	13.6
59.04947	4.5
67.05433	53.1
69.03349	6.2
69.06986	14.4
75.08818	3.4
79.05405	77.9
81.03353	4.7
81.06976	85.9
83.04942	3.8
83.08541	23.2
90.84731	3.2
91.05405	100.0
93.06957	36.4
95.04894	21.9
95.08542	22.7
97.10106	29.0
105.03353	3.6
105.06979	39.8
106.60081	3.6
107.04899	23.0
107.08527	27.8
109.06475	4.6
109.10077	7.7
111.07988	4.0
114.38317	3.4
117.06947	44.2
119.08530	91.4
121.06462	18.8
121.10109	5.9
123.07996	6.7
125.02734	4.3
125.09621	16.8
128.06163	5.8
129.06990	18.4
130.31250	3.5
131.08553	35.7
133.06488	5.5
134.99634	5.6
135.08008	7.1
143.08513	7.3
145.10094	24.3
145.12102	3.5
147.08026	42.7
149.09650	4.5
151.49254	3.8
157.10039	5.6
161.09610	5.5
163.03792	4.7
163.11092	3.6
189.11185	5.8
195.90707	4.0
231.69740	3.2
245.19037	4.4
247.88185	4.5
247.90799	3.5
249.14845	5.9
255.17297	4.7
273.02975	3.9
273.18387	63.9
291.19473	46.1
310.09363	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	2.9
55.01802	1.9
55.05452	20.6
57.07007	2.4
60.48928	1.7
67.05424	31.4
69.06979	14.2
69.49783	1.7
73.15175	1.6
74.05413	1.4
79.05411	75.5
81.06984	38.6
83.08520	4.2
86.00813	1.6
91.05412	35.7
93.06974	100.0
95.04900	7.2
95.08548	14.7
95.11288	2.0
97.06483	2.3
105.04442	2.8
105.06972	15.2
107.08543	41.8
109.06458	1.6
109.10117	4.0
110.10689	1.6
116.75100	1.6
119.08537	9.4
121.10077	25.4
129.06978	2.4
133.10107	10.4
135.11652	19.5
147.11691	3.0
149.13240	9.0
150.13173	1.7
159.11763	1.9
161.13226	2.6
163.14772	1.9
169.00987	2.1
177.14851	2.1
190.00858	1.5
288.72711	1.7
291.20099	2.1
291.22977	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	292.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81586	0.6
58.06533	1.0
72.08070	44.7
81.71184	0.5
84.08062	1.0
91.05427	4.0
104.14519	0.5
112.11186	3.6
119.04896	13.8
125.96587	0.6
129.13841	0.8
147.04390	100.0
204.10173	50.2
205.10713	0.6
221.12810	3.6
258.28900	0.5
275.17450	7.5
292.20120	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	292.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81433	0.2
55.05457	0.2
56.42156	0.2
56.96500	0.5
57.03391	0.2
58.06527	0.5
69.03349	0.3
70.06556	0.2
72.08070	42.7
75.09148	1.2
83.04925	0.2
84.04413	0.4
84.08073	1.1
85.02854	0.3
91.05408	3.7
98.97536	0.3
102.85584	0.2
104.10037	0.2
110.07139	0.3
112.11192	3.4
114.36427	0.2
116.10773	0.2
116.49641	0.2
116.98617	0.4
118.78729	0.2
119.04896	13.9
127.03954	0.2
127.79295	0.2
129.13855	2.1
130.06468	0.3
134.99588	0.2
145.02844	1.0
146.05959	1.0
146.16548	0.4
147.04387	100.0
148.04721	0.9
155.11765	0.3
164.02347	0.3
172.99336	0.2
177.05437	1.3
182.03287	0.4
203.11798	0.3
204.10170	50.3
205.10510	0.5
221.12822	3.7
241.51460	0.2
257.03323	1.0
266.03296	0.4
275.17474	7.9
275.20493	0.3
292.20126	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	292.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30792	0.5
55.27840	0.6
56.96493	4.4
60.04443	1.2
62.39264	0.6
69.03345	1.4
70.06493	1.5
72.08063	49.6
73.02802	1.0
81.03285	0.9
84.04434	2.8
84.08070	1.1
85.02835	3.0
91.05392	3.2
94.07470	0.6
97.02849	1.1
98.97497	2.9
106.82388	0.7
112.11191	2.8
116.98557	3.9
119.04904	12.1
129.13762	1.6
130.06371	0.7
134.99605	4.2
136.06145	2.9
147.04376	100.0
148.04672	0.9
161.01135	1.0
176.96637	0.7
204.10144	58.4
221.12825	3.9
237.02715	1.2
275.17422	6.9
292.20059	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	292.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	1.5
55.01806	6.7
55.05454	17.9
56.96511	1.4
57.03366	7.1
57.07006	3.6
67.05428	26.6
69.03336	2.6
69.06984	30.7
71.04910	100.0
71.08549	12.2
71.36731	1.2
72.08058	5.6
79.05403	21.4
81.03338	6.0
81.06974	22.6
81.47289	1.3
83.04903	7.8
83.08538	8.1
84.56039	1.5
85.02847	1.3
85.06460	2.0
85.10083	1.9
85.74313	1.4
86.09579	1.5
87.04391	55.8
91.05419	14.1
93.06970	18.3
95.04898	6.5
95.08528	30.4
97.06450	10.5
99.04385	99.5
99.08023	6.6
104.67928	1.7
105.06964	16.9
107.04868	3.2
107.08521	7.3
107.97459	1.6
109.06487	3.2
109.10103	10.4
111.04384	2.4
112.72536	1.6
113.05946	5.8
113.09560	1.5
114.68754	1.9
115.03870	21.4
117.05438	35.9
117.06971	1.4
119.04887	2.3
119.08530	15.0
120.08069	3.4
121.10130	5.7
123.08022	23.7
123.11655	2.1
125.05962	2.4
131.04890	1.9
133.10072	3.3
136.06187	6.6
139.11086	1.7
141.12759	2.1
147.04366	10.9
147.08102	1.8
147.11624	2.6
149.09535	1.8
150.09114	7.7
151.07555	2.5
155.10693	2.0
161.13283	7.0
175.14774	8.6
180.10196	1.9
193.15871	14.7
203.14337	6.0
204.10176	5.6
221.15263	21.9
239.16339	33.4
257.17496	5.5
261.25354	1.6
312.16501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19046	5.2
54.81803	7.1
59.48371	5.3
63.34885	6.0
64.68108	5.0
67.33941	6.2
70.06483	9.6
70.07523	5.5
73.31725	6.0
76.56275	6.4
92.10210	6.6
101.52475	6.0
114.92760	6.2
116.07037	6.9
118.08594	98.8
119.08943	8.8
124.84607	7.2
148.92006	5.9
175.11873	10.5
279.71924	6.8
282.52838	6.4
293.06210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96489	0.7
60.08095	0.6
72.08052	0.7
73.02818	1.2
75.51307	0.6
80.92130	0.6
86.09627	1.2
87.04390	12.7
92.04931	8.4
98.97527	2.3
110.05964	0.9
116.04934	0.8
116.98586	3.0
130.52309	0.6
134.06009	0.9
134.99580	3.5
136.28061	0.7
138.05476	3.6
148.03905	83.6
148.66805	0.6
162.05464	100.0
163.03885	2.1
163.05780	0.7
206.08089	63.1
234.07562	69.1
292.98557	2.6
293.14886	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89496	0.7
56.96489	4.6
58.06527	1.9
59.11602	0.6
59.43810	0.7
65.03864	0.7
67.05411	3.1
69.03344	1.5
70.06496	1.9
71.04913	1.5
72.08047	1.5
73.02792	1.2
73.06447	1.0
74.05975	0.8
79.05398	1.6
81.06940	1.4
84.04412	3.5
84.08084	2.7
85.02817	1.5
88.03903	0.7
91.05405	10.3
93.06976	1.7
95.08511	4.1
97.02824	1.1
97.05215	0.8
98.97493	4.6
105.06963	0.7
107.04890	1.2
108.00732	0.8
110.07077	1.2
116.98545	4.5
119.04891	24.0
119.08535	1.3
121.02841	1.0
129.10251	1.0
130.12239	4.2
134.01237	1.2
134.99631	6.1
144.08058	6.4
146.05965	12.8
147.04391	100.0
147.14893	5.2
148.04750	1.4
153.00661	1.1
165.07867	1.0
167.02374	0.9
175.03865	1.2
177.05376	0.8
190.01193	0.8
204.10176	17.1
207.06487	1.0
229.09637	3.0
236.26654	0.8
237.02710	1.3
245.83846	1.0
265.16241	1.1
275.10211	3.0
276.15860	13.1
279.03793	0.8
293.15234	1.6
293.18329	9.0
294.06427	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03879	6.4
55.01807	23.2
55.05456	41.1
57.03381	29.0
67.05428	46.3
69.06988	36.5
69.86876	3.0
79.05403	100.0
81.03322	7.5
81.06976	50.1
83.04885	6.8
83.08522	16.6
85.06449	5.5
91.05410	74.1
93.06966	89.3
95.04884	16.4
95.08519	29.7
97.06461	15.2
97.10075	7.7
104.41682	3.0
105.06964	74.0
105.25459	3.2
107.04893	10.9
107.08533	85.0
109.06485	13.1
109.10117	7.3
117.06973	15.6
119.08498	47.3
119.95109	3.3
121.10092	19.5
123.08002	3.5
125.09663	4.4
131.08528	22.3
133.10081	30.1
133.33040	4.0
137.09602	4.3
143.08517	6.4
145.10094	18.2
147.11633	20.2
149.09601	7.3
157.10100	4.5
159.11665	17.9
161.13223	5.2
175.14558	3.6
185.13292	7.3
189.11197	4.0
203.14304	6.1
221.15245	16.0
257.19080	6.9
275.19962	64.8
293.20920	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03881	8.0
53.98005	1.4
55.05450	27.2
55.34817	1.5
57.03379	25.9
57.06996	1.7
59.13417	1.3
65.03867	1.3
66.93217	1.4
67.05428	34.8
69.06973	16.8
71.04895	3.3
73.06462	1.7
79.04964	3.4
79.05410	79.0
81.06511	2.2
81.06979	46.3
83.04913	1.6
83.08527	8.0
85.06455	8.0
91.05412	85.7
92.10267	1.8
93.06973	100.0
95.04897	24.7
95.08535	25.9
97.06464	2.8
97.10102	2.4
99.08010	1.6
105.04465	3.3
105.06979	64.6
107.04914	1.6
107.08540	59.1
109.06461	9.2
109.10104	7.0
116.06174	1.9
117.06979	20.9
119.08544	46.3
121.06410	2.5
121.10104	16.4
123.44224	1.5
125.09563	2.2
129.06937	11.2
131.08543	22.8
133.10088	20.4
135.11681	2.3
141.06924	1.9
143.08545	11.8
145.10132	12.3
147.11671	16.6
149.09599	3.7
151.11121	1.8
157.10092	8.4
159.11682	13.9
161.13232	12.7
163.11192	3.1
171.11632	2.3
171.49855	1.6
173.13226	3.6
175.11124	2.2
175.14685	1.9
183.11658	2.2
183.65504	1.5
185.13257	19.3
197.13210	1.7
203.14304	8.2
211.14973	2.1
219.17444	2.1
221.15247	14.2
229.19556	1.9
239.17841	3.0
257.18979	8.8
267.02069	1.7
275.20010	33.1
288.80219	1.8
293.21109	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.99635	2.1
51.58716	2.0
53.03885	2.3
53.25005	2.5
53.89072	2.4
55.01806	12.8
55.05453	60.3
57.03376	20.4
57.07001	11.6
67.05424	54.9
69.03315	2.7
69.06991	24.5
71.04905	4.3
71.20981	2.3
79.05411	100.0
81.03333	6.6
81.06977	58.6
83.08536	20.8
83.19714	3.0
85.06469	10.8
91.05400	73.7
92.10904	3.8
93.06974	96.5
95.04901	42.3
95.08533	36.0
97.06429	4.2
97.10100	14.8
105.06978	66.3
107.04903	53.1
107.08540	70.1
109.06477	11.6
109.10137	5.9
111.07967	2.9
117.06961	17.1
119.08541	55.8
121.06460	3.4
121.10098	21.8
123.07996	4.3
125.09575	12.9
127.80323	3.3
129.06937	12.4
131.08562	31.4
133.10118	19.6
135.08051	3.1
135.11592	5.9
137.13228	2.8
143.08530	5.5
145.10117	16.5
147.11667	15.7
149.09613	26.7
151.11188	15.6
157.10092	5.7
159.11664	12.2
161.13245	5.8
163.11226	3.4
173.13234	3.1
185.13239	13.3
203.14302	12.8
210.55392	3.4
221.15353	12.3
257.18964	12.3
275.19998	67.3
293.21170	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.59797	3.0
55.01813	15.8
55.05453	65.8
56.96498	4.2
57.07015	3.9
67.05422	66.9
69.03368	3.6
69.06985	82.7
73.06442	4.3
77.03305	3.1
79.05411	100.0
81.06973	57.0
83.04906	8.7
83.08524	16.7
91.05410	66.7
93.06981	85.6
95.04900	24.5
95.08539	57.9
97.06472	8.2
105.06966	82.1
107.04897	24.6
107.08543	54.8
109.06472	28.2
109.10110	15.1
117.06972	31.7
119.08528	60.6
121.06466	20.9
121.10107	33.7
123.08054	14.7
129.06931	4.6
131.08540	41.4
133.10103	32.7
135.08034	19.3
135.11685	6.1
137.05878	3.5
138.52943	4.1
141.06996	7.0
141.61476	3.6
143.08566	6.8
145.10127	42.5
147.11601	29.1
149.09612	5.9
149.13246	4.6
151.11143	13.7
157.10042	7.0
159.08070	5.3
159.11670	24.3
161.13206	8.8
163.11182	20.0
169.10043	5.1
171.11629	5.6
183.11720	4.4
183.42366	3.3
229.19487	4.9
239.17957	4.1
247.20526	17.2
257.18951	62.9
275.20023	93.5
293.21167	4.4
300.20972	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	293.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48057	0.9
54.81544	1.1
55.01811	2.6
55.05437	5.3
56.26295	1.0
57.06774	1.5
57.07016	26.3
65.03882	1.3
67.05429	13.1
69.03335	1.2
69.06992	2.4
71.04920	1.3
71.08537	7.8
78.20177	0.9
79.05403	7.2
81.03342	33.0
81.06972	11.5
81.10662	1.1
83.04903	1.9
83.08547	1.5
85.06445	4.5
87.24368	1.0
91.05404	7.7
93.06972	8.8
95.04898	32.9
95.08568	8.5
95.94310	1.3
99.08011	2.7
105.06969	6.1
107.04910	1.8
107.08511	4.4
109.02788	1.3
109.06447	4.9
109.10117	2.2
110.18913	1.1
111.04382	4.9
111.05110	1.1
117.06977	2.5
119.08511	3.8
121.10088	1.5
123.08086	1.2
125.05940	1.7
131.08499	1.4
133.10117	1.7
135.04395	1.1
145.10095	2.4
150.02411	1.2
151.11162	100.0
153.05435	2.5
165.12674	1.7
172.95319	1.2
177.12697	2.2
181.04933	4.7
191.10617	7.0
195.10089	2.2
209.11725	7.0
237.11125	13.6
275.19943	2.6
293.21036	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.00874	1.0
53.03899	1.2
55.01812	4.3
55.05456	10.0
56.14639	1.0
57.07016	13.1
58.77479	1.0
59.68230	1.2
64.74925	1.1
67.05429	13.6
69.03355	1.3
69.06985	6.2
71.04910	1.4
71.08553	8.4
79.05411	11.2
81.03336	30.3
81.06980	12.5
83.04910	1.7
83.08538	4.7
84.93056	1.2
85.06462	5.6
91.05401	11.3
93.06978	9.2
95.04893	74.2
95.08527	9.4
97.06431	1.5
99.08020	4.6
105.06983	5.7
107.08541	2.9
109.06471	1.7
109.10080	1.9
117.06963	4.7
119.08541	2.4
121.06478	1.7
121.10049	1.7
123.07986	1.5
131.08580	1.5
137.09590	2.3
141.08961	1.4
145.10048	2.6
149.09616	2.1
151.11160	100.0
159.11633	4.5
163.11139	4.5
177.12700	5.7
178.90794	1.3
191.14272	1.6
212.77443	1.2
218.11299	1.2
223.13239	2.6
275.19943	7.9
293.17957	2.3
293.21060	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.42002	1.4
53.03891	2.0
55.01806	10.0
55.05451	100.0
57.03366	15.9
58.71134	1.5
59.04918	2.6
67.05432	27.0
69.03350	11.9
69.06982	13.8
73.48158	1.5
79.05410	32.2
81.03307	3.1
81.06971	29.4
83.04902	6.9
83.08535	50.4
85.06473	1.8
91.05399	30.0
93.06973	19.1
95.04884	6.9
95.08541	13.8
97.06493	1.6
97.10099	81.5
101.06039	1.5
101.09541	1.5
105.06985	16.3
107.08533	30.0
109.06465	3.7
109.10103	6.2
111.08015	2.5
117.06931	13.6
118.45982	1.6
119.08517	8.3
121.10092	7.0
125.09589	48.2
129.06999	2.1
131.08513	14.6
133.10098	3.1
135.08018	6.0
135.11623	2.6
137.05952	1.8
145.10086	2.2
146.87628	1.6
149.09555	3.1
151.11130	3.7
153.12712	2.2
153.59770	1.6
189.11191	35.2
191.38525	1.6
275.20032	22.0
293.20975	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.85126	1.4
53.00252	2.4
53.03891	3.5
55.01812	11.9
55.05457	41.2
57.03370	9.1
57.07002	8.8
59.04929	1.7
65.03869	1.7
67.05428	43.1
69.06992	60.1
71.04904	3.3
71.08541	3.9
72.08062	8.9
79.04958	3.9
79.05413	100.0
81.03346	3.6
81.06519	2.1
81.06979	43.4
83.04887	9.8
83.08540	7.2
84.44123	1.9
85.75824	1.8
91.05415	52.8
91.87246	1.7
93.06973	59.9
95.04910	16.8
95.08540	35.8
97.06466	8.1
97.10118	6.9
105.06987	49.8
107.04900	98.7
107.08543	39.9
109.06483	4.2
109.10102	8.9
115.05411	2.2
117.06985	17.4
119.08534	29.8
121.06367	2.3
121.10117	20.0
125.09659	2.0
131.08542	17.7
133.10107	22.6
135.08034	58.9
135.11693	1.7
139.11136	3.1
145.10094	7.9
147.11705	13.5
149.09593	10.8
151.11185	4.1
159.11687	7.9
161.09669	1.9
167.10646	2.0
181.04897	3.0
183.13783	2.8
190.96248	2.5
203.12782	6.7
203.91518	2.1
237.11166	7.2
239.35294	2.2
247.20438	2.8
257.18939	8.0
275.20038	83.5
275.23080	2.9
293.20831	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	293.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	11.4
56.96507	2.8
57.03367	2.9
57.07009	11.8
67.05428	100.0
68.18387	2.5
69.06982	12.7
79.05405	17.3
81.06974	88.9
82.07323	3.5
83.08541	6.6
91.05405	6.0
92.10917	4.1
93.06989	12.9
95.04901	5.7
95.08536	64.2
96.46687	2.8
105.06986	12.5
107.08546	5.5
109.10093	29.4
121.10073	5.1
123.08022	3.2
123.11608	5.5
131.08501	4.7
137.06015	3.4
151.11220	13.1
221.13126	3.1
223.16988	2.9
237.11160	4.7
282.19925	3.3
293.21075	4.8
293.24594	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	293.2471
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
51.94295	1.1
55.05450	10.0
57.07001	1.6
65.03859	2.6
65.04169	0.9
67.05424	100.0
69.06988	9.3
79.05402	15.1
81.06971	91.6
83.08559	1.2
85.06467	2.4
91.05405	6.0
93.06967	17.9
95.04886	2.2
95.08530	65.7
97.06474	1.4
105.06961	5.2
105.44868	1.0
107.08536	8.7
108.99020	1.0
109.06481	1.1
109.10110	23.9
113.09635	1.1
117.06993	1.2
119.08553	2.3
121.10076	6.7
123.11638	7.2
131.08502	7.4
133.10072	4.2
135.11638	5.7
137.09608	1.5
137.13200	3.9
145.10069	2.4
147.98807	1.0
149.13220	2.0
151.14751	1.2
159.11618	2.3
160.50917	1.4
163.14795	1.5
173.13213	2.2
202.97491	1.0
236.11551	1.0
236.84947	1.0
261.22034	4.1
293.24612	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	294.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	1.6
55.55965	0.3
56.95015	0.3
61.32375	0.3
63.02303	0.4
69.81163	0.3
72.08047	0.4
78.04631	0.6
81.01552	0.3
89.03846	9.8
90.04630	0.3
91.05396	1.8
92.11002	0.5
95.04874	0.3
98.97509	0.4
100.07511	0.4
101.05968	0.5
103.05404	0.4
111.31099	0.3
115.64843	0.3
117.03329	40.4
119.04915	1.5
121.02820	0.6
121.87628	0.4
124.05208	0.4
134.03575	2.6
135.04356	3.2
135.06747	1.3
145.02826	90.1
146.03163	0.4
147.04387	2.2
148.04735	1.7
149.05954	12.9
163.03857	1.6
176.38586	0.4
177.05435	100.0
178.05864	0.4
186.05475	0.8
196.74097	0.3
248.16373	0.6
294.13251	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1446
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
53.00235	0.3
55.05443	1.8
57.07001	1.5
59.09672	0.3
62.91145	0.3
65.03850	1.3
67.05415	1.8
69.03319	0.3
69.06975	0.5
70.02853	0.5
71.04910	0.4
71.08541	0.6
79.05420	2.8
80.04922	0.6
81.03341	3.0
81.06959	1.6
82.03647	0.5
85.06456	0.4
91.05389	2.0
92.04935	10.7
93.06949	1.9
95.04912	3.9
95.08524	0.5
96.05199	0.8
99.00744	4.5
105.06962	1.5
106.06520	0.8
107.08524	1.8
115.05423	1.3
117.06970	2.3
118.06377	0.3
119.07260	1.5
132.08028	0.7
134.09583	0.5
151.11174	7.7
152.10667	100.0
153.11003	1.7
161.10692	0.5
174.18881	0.3
179.11760	11.1
180.10161	37.9
191.11726	0.6
205.13332	0.7
231.11252	7.9
235.10745	3.9
248.13763	2.8
249.12292	2.8
264.26926	0.4
277.11789	17.9
293.21042	0.5
294.14481	4.6
294.21466	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	1.3
56.04962	1.6
57.03368	5.9
57.06984	0.9
57.36546	1.0
59.03668	5.7
65.39085	0.9
68.04929	1.6
69.03349	14.1
69.06987	21.8
70.02859	1.5
70.06480	1.3
71.04902	1.7
72.04442	1.3
72.96597	0.9
73.02830	4.3
81.03337	4.1
84.04408	2.1
84.08053	1.5
85.02813	13.2
86.09628	100.0
87.03134	18.9
87.09957	1.1
88.03908	7.9
93.47144	1.3
96.04404	4.9
96.08110	1.2
97.02828	16.6
98.09630	34.1
99.04382	5.1
100.03920	2.1
100.11192	4.6
110.05970	1.0
112.03931	10.0
116.10676	9.3
127.03883	12.4
128.10669	14.8
132.10167	18.5
136.06157	11.7
136.07500	1.6
137.06532	4.4
138.05492	1.5
140.10730	2.1
143.05785	7.5
144.06503	1.4
144.10156	8.6
145.04929	4.1
152.10637	2.0
154.08582	7.3
161.06842	10.6
164.10635	4.5
168.10162	2.6
170.11754	2.5
182.11739	1.3
194.11722	2.5
210.11208	6.4
212.12804	24.0
230.13824	68.0
236.59644	1.2
248.14874	6.5
258.13318	30.9
274.29160	1.4
276.14359	82.4
277.11951	1.8
294.15332	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	294.206
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.86409	0.2
54.74350	0.3
55.05437	0.4
57.06995	0.6
61.36017	0.3
61.68332	0.3
67.05396	0.3
71.08543	1.3
79.05383	0.7
81.06971	0.7
91.05408	0.5
94.04115	2.6
99.80993	0.3
107.04903	0.4
117.98579	0.3
122.03595	9.5
137.05948	100.0
138.06276	0.7
141.12666	0.7
143.52171	0.3
158.15366	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99530	0.1
55.05455	0.2
57.07000	0.8
58.02885	0.2
65.03819	0.2
66.04619	0.1
67.05418	1.1
69.06976	0.2
71.08539	0.4
79.05403	0.7
81.06979	2.0
85.16299	0.2
91.05415	0.3
94.04126	2.5
95.04915	0.2
95.08524	0.2
107.04918	0.3
109.06487	0.2
121.00424	1.8
122.03598	9.7
123.11652	0.9
130.00943	0.6
137.05956	100.0
138.06259	1.7
141.12723	0.2
143.01753	0.7
146.72641	0.2
158.15381	1.3
159.12244	0.2
170.15353	1.1
172.00974	0.2
177.00204	1.1
217.02538	0.3
310.51797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44838	1.5
53.03891	3.1
54.81092	1.7
55.01781	2.3
55.05453	83.5
57.07014	17.4
58.02894	100.0
64.11003	1.7
67.05430	42.6
67.84602	1.6
69.06991	65.7
70.54488	1.6
71.08544	11.5
72.04420	2.3
74.06028	2.0
76.50237	1.6
79.05416	12.2
81.03340	2.7
81.06973	46.0
83.04901	3.5
83.08534	30.6
85.10114	3.3
88.02141	8.8
89.27827	1.9
91.05408	7.2
93.06989	12.5
95.04887	3.0
95.08525	31.8
96.83196	1.8
97.10091	15.2
98.09653	2.7
100.07537	14.4
105.06965	3.6
107.08551	9.0
107.38085	1.7
109.10135	20.5
110.62898	2.0
114.09138	12.1
119.08529	4.4
121.10093	3.6
123.11667	8.6
128.10678	12.8
135.11635	2.4
137.05966	9.1
142.12215	4.3
151.11264	2.7
156.13805	2.6
170.15335	2.3
245.22652	3.5
263.23621	2.4
277.21451	2.8
294.27826	39.9
295.22476	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	294.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39930	1.2
53.00233	1.9
55.01799	2.7
55.05450	77.1
56.64830	1.2
57.07010	18.3
58.02895	100.0
58.13823	1.1
67.05424	36.9
69.06603	2.6
69.06985	75.9
71.08530	9.6
72.04427	2.4
79.05418	13.0
81.03325	1.6
81.06971	44.7
83.04887	2.4
83.08086	2.2
83.08539	29.6
85.10120	1.7
86.05983	6.0
88.02097	1.3
91.05407	9.7
92.10239	3.9
93.06967	12.7
95.08530	31.3
97.06474	2.5
97.10106	13.7
100.07561	14.3
105.06946	5.4
107.08536	6.4
109.10111	18.3
114.09123	9.8
119.08514	5.4
121.10060	6.8
123.11617	6.1
128.10672	11.2
133.10057	2.8
137.05908	3.3
137.09598	1.9
137.13225	1.9
142.12285	5.2
147.11702	2.5
156.13838	1.7
161.13220	3.2
170.15424	2.3
179.94461	1.4
198.18524	1.5
245.22522	3.3
263.23718	2.2
294.27863	30.8
295.22620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	0.4
55.02943	0.3
57.03358	1.1
57.04485	0.9
61.02852	1.8
64.33170	0.2
69.03072	0.2
69.03349	3.1
69.06969	1.2
73.02806	0.9
80.21082	0.2
81.03326	1.1
84.04416	0.2
85.02824	11.4
87.01324	0.2
87.04371	0.4
87.08010	1.7
91.03877	0.5
94.03955	3.3
96.05534	0.3
97.02834	3.2
99.04382	0.4
109.02805	0.5
121.05054	0.2
123.06636	2.4
127.03909	1.8
133.05058	0.5
135.05319	0.4
145.02809	2.4
145.04927	1.5
150.07719	100.0
151.08051	1.3
154.15259	0.2
163.05888	0.3
166.57042	0.2
174.05537	0.2
177.05402	3.0
234.11179	1.6
255.03564	0.2
282.03009	0.2
295.11285	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	295.1287
Annotation	BBM 2040A
Peak:m/z	Relative Intensity
51.80947	0.7
54.81562	0.8
55.05457	1.3
56.04974	0.9
57.03375	1.7
60.04442	1.0
60.08078	1.7
61.02852	0.8
68.04952	22.4
69.03344	7.3
69.06990	5.2
70.06522	5.7
70.07329	1.4
71.04918	1.1
73.02828	1.0
74.05999	0.8
75.17998	0.8
80.04927	5.7
84.04427	3.3
84.08066	5.3
85.02813	7.7
86.09627	28.8
87.03138	4.9
87.09445	1.1
87.09953	8.8
88.03918	1.4
91.05431	0.8
96.04411	3.4
97.02241	0.8
97.02821	4.3
98.03152	0.7
98.09608	8.6
99.04373	1.1
99.09938	1.2
107.04895	1.1
108.08066	1.4
110.07076	1.1
112.03925	0.9
113.04255	1.0
114.05487	17.1
116.06962	0.9
116.10688	1.5
120.08076	0.8
122.07082	6.9
124.07548	4.3
127.03904	3.9
128.04317	0.9
128.10683	3.2
130.08675	1.1
132.10185	4.3
133.10526	1.5
134.05986	3.0
136.06175	11.3
136.07555	34.2
137.06534	1.3
138.05463	4.1
142.05003	10.1
143.05730	0.9
144.10251	1.1
149.06142	1.0
150.05513	1.0
152.07002	5.7
153.07834	4.5
154.08607	100.0
160.07603	1.0
164.07024	14.0
166.07211	17.1
172.07526	1.0
178.08656	1.4
180.06525	0.8
182.08057	3.0
185.29716	0.8
190.08597	4.7
198.09175	0.9
204.05988	0.8
212.12793	1.8
213.10248	3.0
213.13164	5.2
215.11668	3.1
230.13814	9.7
231.11845	1.3
231.14186	11.6
233.12927	2.9
249.15237	0.9
250.16379	3.3
258.13376	1.8
259.10709	3.2
259.13620	6.7
276.11655	0.9
276.14249	5.8
277.11768	32.3
277.14731	13.8
295.12912	26.4
295.16318	4.6
296.13596	0.8
296.17017	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1288
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
51.19029	0.3
51.43947	0.3
53.03883	0.3
55.36009	0.4
56.04961	2.3
57.03363	0.8
61.02844	1.8
69.03357	4.2
69.06976	2.4
70.06484	0.5
73.02826	0.4
79.05398	0.5
81.03327	1.9
84.04427	37.7
84.08051	0.4
84.75922	0.3
84.81756	0.4
85.02341	0.7
85.02830	15.3
86.09627	4.2
87.08025	2.5
91.05404	9.1
93.06970	0.5
94.03979	0.6
97.02811	3.2
99.04355	0.5
102.05500	0.4
103.05410	7.5
107.04919	3.1
109.02830	0.9
113.87176	0.4
116.98544	0.5
119.04893	6.6
120.08055	100.0
121.02756	0.4
121.08368	0.7
127.03864	2.4
130.04939	4.2
131.04890	3.6
136.06494	0.7
136.07550	22.3
141.06601	0.5
145.02792	1.6
145.04939	1.6
147.04369	0.9
148.03902	0.6
149.05927	2.2
150.07718	16.4
166.08617	16.7
177.05444	0.8
186.09106	7.0
232.09602	3.6
235.43916	0.4
247.95123	0.5
278.10556	2.1
295.12811	3.5
295.16190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.3
53.60650	0.2
54.81564	0.2
55.01806	0.4
56.04960	0.4
56.96479	0.2
57.03374	1.6
57.04489	1.0
61.02861	2.6
65.71799	0.2
67.05421	0.3
69.03012	0.3
69.03351	4.7
69.07001	2.4
70.03678	0.2
70.06507	0.3
71.04919	0.3
72.08100	0.2
73.02814	1.1
81.03340	1.5
84.04413	0.3
84.64536	0.2
85.02829	16.9
87.08021	1.9
91.03891	0.5
94.03977	3.8
96.05537	0.3
97.02834	3.7
99.04389	0.8
106.03928	0.4
107.04894	0.3
109.02813	1.5
112.05029	0.4
115.03899	0.3
116.98584	0.4
119.04890	0.3
120.04421	1.5
123.06635	3.1
127.03873	2.4
130.06517	0.9
132.08040	0.3
133.05092	0.5
135.05411	0.4
141.06581	1.5
145.04948	2.1
145.43188	0.2
148.06139	0.3
150.07730	100.0
151.08073	1.1
162.05496	1.0
163.05905	0.3
177.05403	0.3
190.76923	0.3
194.11273	0.2
196.03812	0.2
232.10603	0.3
240.47571	0.2
256.04822	0.3
260.10144	0.4
278.11255	4.2
282.02771	0.5
295.11545	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.0
55.01809	1.6
55.05440	1.1
56.96499	2.5
57.03364	6.2
61.02853	10.9
65.06867	1.0
69.03349	17.4
69.04472	3.8
69.06981	9.8
70.06525	1.2
71.04910	1.3
73.02815	2.3
81.03331	7.9
83.08595	1.3
84.04428	21.2
84.08067	1.9
85.02823	57.7
86.03450	2.3
86.09652	1.3
87.08015	5.7
91.03842	1.8
91.05414	1.9
93.06934	1.0
94.03959	4.0
97.02814	13.7
99.04394	1.2
100.11179	5.5
103.05418	4.6
107.04873	2.5
109.02809	4.9
116.98596	1.0
119.04852	1.8
120.04398	5.9
120.08048	48.3
121.02827	5.2
123.06580	1.4
127.03862	8.7
130.04970	1.9
130.06511	1.3
131.04875	1.5
136.07547	6.4
145.04947	7.6
147.04395	1.6
148.03865	14.7
150.07718	100.0
162.05409	1.6
166.08611	9.6
186.09129	1.9
227.17477	1.2
232.09625	1.3
282.02652	2.0
283.32175	1.2
295.12537	1.3
317.43753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.165
Annotation	L-LEUCYL-L-TYROSINE
Peak:m/z	Relative Intensity
52.71862	0.6
55.01816	1.3
58.06532	27.9
59.07060	0.8
59.07310	8.9
60.08092	63.2
64.33450	0.7
69.03339	0.8
72.08060	0.9
73.07587	0.8
79.46478	0.7
83.53374	0.7
86.09625	24.0
86.89220	0.8
88.39732	0.7
91.05389	1.8
103.05396	0.7
107.04892	30.1
117.07005	1.1
119.04869	5.4
120.08033	3.5
121.06475	1.8
123.04367	5.8
133.06425	6.1
134.05991	9.7
136.07536	16.4
145.06429	7.0
147.04343	1.7
147.08051	1.3
160.07558	0.8
161.05870	10.1
162.05438	5.2
162.09105	23.1
165.05394	4.1
190.08549	11.2
208.09612	6.8
249.15924	4.3
295.16446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03885	6.7
55.01804	33.8
55.05458	100.0
56.05775	4.9
56.96503	7.6
57.03377	8.0
57.07006	11.4
61.36783	4.5
66.31063	4.9
67.05130	6.2
67.05437	94.7
68.05740	4.6
69.03339	5.4
69.06995	62.6
71.04909	10.6
71.08547	23.5
79.05420	69.1
81.03345	12.4
81.06967	83.9
83.04905	18.7
83.08541	44.4
91.05417	48.6
93.06971	59.1
95.04911	9.7
95.08526	62.1
97.06466	11.8
97.10131	12.1
99.08000	23.2
101.23995	5.0
105.06969	33.4
107.08524	33.4
109.06499	9.2
109.10118	35.3
111.08020	10.1
116.20251	4.7
117.06963	5.5
119.08539	20.3
121.10098	10.6
125.09585	6.5
133.06479	24.9
133.10117	21.5
135.11621	8.5
137.05911	8.4
139.11163	7.5
145.10094	6.1
149.13191	5.5
151.11166	25.2
154.94110	22.7
159.11748	5.0
163.11107	6.1
172.95238	76.0
190.96237	75.9
228.97794	23.6
246.98801	29.9
277.21600	54.1
295.22543	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	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03880	4.8
54.42465	2.8
55.01811	100.0
55.05449	81.7
57.03380	4.6
57.07006	14.2
67.05428	90.7
69.03354	7.6
69.06991	45.9
69.85435	3.1
70.40800	3.0
71.04913	7.5
71.08545	22.4
71.51526	3.5
75.13975	3.7
79.05403	52.4
81.03333	23.0
81.06976	77.9
83.04900	29.9
83.08540	28.7
91.05407	44.5
93.06980	63.5
95.04892	23.9
95.08533	53.7
97.06461	21.0
97.10109	7.9
99.08012	7.4
105.06980	28.2
107.08530	20.9
109.06454	8.1
109.10104	21.7
111.08029	48.1
117.06953	6.0
119.08528	18.1
121.06503	4.0
121.10124	15.9
123.08003	16.0
123.11636	5.2
127.11128	4.3
131.08496	6.3
133.10095	21.0
135.11659	5.4
137.09642	4.8
139.11121	7.1
147.11674	21.7
149.13264	5.3
151.11119	25.3
159.11690	4.0
165.12721	18.7
171.11533	4.0
177.28232	3.8
179.14368	4.7
194.58122	3.7
235.02025	3.6
259.20502	4.9
277.21530	80.3
295.22592	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	295.2266
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03873	4.7
55.01814	19.5
55.05449	76.9
57.03364	6.4
57.06993	6.2
58.28530	2.2
58.66147	2.2
61.82184	2.3
62.65626	2.2
62.92423	2.0
67.05427	100.0
69.03337	3.3
69.06984	37.3
71.04896	10.5
71.08535	14.1
72.99926	2.4
79.05400	52.8
81.03327	10.9
81.06973	71.2
83.04876	19.5
83.08533	28.4
85.06450	3.8
88.10175	2.5
91.05408	40.0
92.10863	3.2
93.06973	53.2
95.04891	17.0
95.08535	40.0
97.06446	10.6
97.10096	20.9
99.07996	5.3
105.06976	26.1
107.08534	36.4
109.06445	5.7
109.10073	22.6
111.08009	4.6
117.06952	3.8
117.80768	2.8
119.08521	15.0
121.10079	16.1
123.08035	3.5
125.09580	12.8
133.10115	11.0
135.11656	13.1
137.05862	3.4
139.11134	4.0
145.10011	2.9
147.11656	3.6
149.13231	4.7
151.11131	5.8
161.13219	4.8
189.11185	5.2
259.20517	4.7
277.21594	42.0
295.22647	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.27865	2.5
53.03890	27.2
54.64814	2.5
55.01812	11.5
55.05456	33.8
57.07007	3.2
67.05424	57.4
69.06992	43.4
71.08560	2.9
79.05404	44.5
81.03336	100.0
81.06975	53.4
83.04900	17.4
83.08543	6.1
91.05403	19.5
92.63000	3.0
93.06957	40.6
95.04885	45.6
95.08530	11.3
97.06494	3.1
97.10100	4.2
105.06970	28.4
107.08543	23.4
109.06465	11.4
109.10107	6.9
117.06993	3.4
119.08502	10.4
121.10166	3.7
123.08015	4.2
125.09586	13.1
133.10104	10.8
147.11662	12.3
149.02309	3.5
149.13164	3.6
151.11125	25.2
161.13226	6.1
169.42093	3.4
241.19400	7.1
245.90179	2.9
277.21597	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01807	25.1
55.05450	77.9
55.62497	3.7
57.07003	9.5
67.05430	50.5
69.06987	33.9
71.04912	4.7
71.08547	8.4
71.86430	4.8
73.06454	4.1
79.05403	55.0
80.16550	3.4
81.06964	63.7
83.04893	23.2
83.08528	17.1
85.10104	4.3
91.05402	30.3
93.06969	54.2
95.04888	20.3
95.08538	44.0
97.06464	20.0
97.10088	16.8
105.06989	32.5
107.08533	35.3
109.06464	20.1
109.10103	26.5
111.08041	5.0
117.06940	5.3
119.08548	27.3
119.68130	4.0
121.10081	18.0
123.08018	8.1
123.11630	6.8
129.06963	7.1
133.10081	20.6
135.11719	6.4
147.11613	9.0
147.75331	4.5
154.57143	4.6
161.13257	8.4
165.12735	17.1
171.11662	8.2
172.95308	5.7
175.14714	5.5
179.14334	6.5
181.12123	7.4
193.07315	4.1
208.71883	4.2
234.87355	3.8
241.19417	6.2
249.22054	17.2
259.20511	25.8
277.21555	100.0
295.22513	4.9
296.38184	4.9
300.22644	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.69571	5.1
53.98512	4.6
55.05440	28.0
55.23587	5.6
57.04448	6.7
59.35435	5.1
60.64225	6.4
61.94411	7.0
67.05431	47.4
69.06997	11.8
71.08539	56.9
79.05404	45.6
81.03297	6.7
81.06967	56.5
83.04865	12.5
83.08550	7.9
91.05402	35.3
93.06974	100.0
95.08527	40.3
99.08033	12.0
105.06976	10.7
107.08533	31.7
109.10101	9.0
121.10069	13.6
123.44557	6.6
133.09041	6.8
133.10065	7.6
135.11678	31.0
151.11179	9.4
153.70834	6.1
179.14296	46.8
179.95070	6.6
271.07819	9.2
277.21640	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	295.2265
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
50.85459	3.2
55.01817	28.2
55.05455	83.6
57.03379	3.2
57.07011	13.4
67.05429	100.0
69.06991	38.2
71.08552	59.5
72.61156	3.4
79.05410	61.6
81.03330	18.5
81.06976	79.9
83.04877	9.2
83.08543	36.6
85.10121	5.8
91.05392	46.9
93.06971	62.4
95.04890	16.7
95.08536	50.6
97.06448	9.1
97.10106	31.9
99.08025	19.6
105.06966	38.3
107.04930	6.1
107.08527	37.4
109.06474	7.4
109.10122	23.9
111.08022	19.2
117.06994	5.0
119.08522	23.8
121.10091	16.6
123.08028	4.7
125.09586	14.7
132.87019	3.7
133.10118	21.6
135.11655	7.0
137.09624	5.5
138.70050	3.5
145.10075	6.4
147.11717	17.5
149.09668	4.8
151.11157	39.1
161.13283	5.3
163.11156	16.3
165.12750	6.9
169.69876	4.6
179.14296	7.2
189.11311	4.0
259.20566	5.9
277.21585	72.8
295.22617	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	295.2266
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03878	3.6
54.61327	2.8
55.01816	100.0
55.05456	64.7
57.07011	6.9
59.12660	3.3
59.12980	2.7
67.05429	72.8
69.03345	7.0
69.06992	30.8
71.04901	3.9
71.08542	23.5
75.49003	3.1
79.05417	53.2
81.03341	12.6
81.06979	79.7
83.04916	28.3
83.08540	30.0
85.06456	4.3
85.10117	7.1
91.05405	44.3
93.06979	54.9
95.04877	14.8
95.08538	45.1
97.06464	20.0
97.10107	6.6
99.08020	8.1
105.06984	33.9
107.04883	4.6
107.08526	21.4
109.06466	8.0
109.10110	14.4
111.08039	58.5
111.08746	5.1
111.68087	3.3
113.09599	6.5
119.08562	24.3
121.10088	18.3
123.08036	4.6
129.06934	4.1
131.08586	3.4
133.10092	27.8
135.11687	3.7
139.11209	3.6
144.16457	3.9
145.10088	5.1
147.11681	13.4
149.09578	4.7
149.13301	5.2
151.11156	19.6
163.11128	6.4
165.12700	24.0
175.11147	4.1
191.10634	3.5
219.69247	3.6
259.20398	4.2
277.21539	78.2
295.22775	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00210	3.2
53.03870	4.3
55.01806	3.5
55.05222	4.4
55.05455	77.6
55.71637	3.1
58.54052	3.1
61.75723	3.4
67.05430	100.0
69.03323	3.9
69.06989	39.6
70.77699	3.6
71.08553	76.0
76.56268	4.8
79.05407	47.2
81.03326	24.6
81.06974	60.9
83.04885	16.6
83.08530	31.6
84.92896	3.4
91.05401	34.8
93.06969	57.0
95.04884	21.9
95.08532	40.1
97.06450	7.5
97.10104	33.0
99.08010	44.1
105.06957	22.2
106.45789	3.4
107.08553	27.7
109.06451	4.4
109.10099	18.3
112.81970	3.6
117.06982	6.1
119.08540	16.5
121.10096	8.5
125.09569	18.7
135.11650	9.9
137.09581	4.7
143.81433	4.5
145.10075	5.0
147.11652	7.3
151.11169	48.4
161.13287	8.9
163.11156	22.1
179.14259	7.8
189.11121	8.4
259.20416	6.1
277.21570	51.1
281.56659	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	295.2267
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.00276	2.5
53.03886	2.9
55.01809	13.9
55.05461	49.2
57.03389	2.7
57.07010	15.8
67.05428	81.9
69.03352	3.9
69.06999	36.9
71.04910	2.9
71.08542	14.4
79.05403	40.0
81.03341	13.1
81.06978	72.7
81.14726	2.8
83.04889	25.4
83.08538	16.3
91.05405	29.1
93.06982	46.0
95.04891	20.6
95.08536	63.1
97.06478	28.3
97.10097	11.8
99.08053	5.3
105.06960	31.1
107.08532	28.2
109.06480	16.1
109.10114	24.7
117.06995	4.3
119.08543	26.1
121.10110	15.7
123.08035	6.1
123.11668	6.5
125.09584	3.0
131.08548	3.4
133.10121	18.2
135.11688	12.6
137.05960	4.9
138.06335	3.4
147.11678	5.5
149.13255	4.0
151.11154	5.8
153.12711	27.7
161.13191	3.9
162.51881	3.1
165.05630	2.9
165.12704	6.7
179.14336	11.8
182.07535	3.2
191.11180	2.8
231.21085	4.2
249.22110	15.3
277.21576	100.0
295.22662	29.4
298.76611	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45320	1.9
50.88570	2.0
53.03883	4.0
54.81788	2.7
55.01808	13.3
55.05446	25.6
57.06737	4.3
57.07012	97.9
58.07338	20.1
62.06010	5.8
64.88836	2.1
67.05431	28.3
68.89684	3.0
69.06976	14.8
71.04911	12.1
71.08545	15.1
77.54173	2.3
79.05417	20.6
81.03325	16.9
81.06976	27.8
83.04884	3.9
83.08536	6.0
91.05402	12.7
93.06978	24.3
95.04901	12.9
95.08533	13.6
97.06456	2.9
97.10085	4.4
105.06984	12.8
106.07296	3.1
107.08544	12.7
109.10097	5.6
119.08524	13.3
121.06441	3.0
121.10120	3.9
133.10115	10.8
134.10458	4.1
135.11671	3.4
137.05936	14.4
138.06300	10.6
147.07977	3.7
147.11682	5.2
151.11183	3.8
161.09572	100.0
162.09920	98.6
165.05441	31.7
166.05824	18.9
172.95224	11.7
175.11185	12.6
176.11465	18.2
179.10698	27.1
179.14262	3.7
180.10951	30.1
190.96295	12.2
203.10674	20.3
204.10980	28.5
221.11716	56.4
222.12015	89.5
222.14162	3.3
228.97855	3.9
277.21466	23.6
295.22653	2.9
300.37463	2.6
307.23425	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
51.55732	2.2
53.03892	27.0
55.01812	14.7
55.05451	40.9
56.86584	2.6
57.07002	5.1
67.05424	60.6
68.14703	2.6
69.06994	49.4
78.03587	2.9
79.05415	36.2
80.24487	2.7
81.03337	100.0
81.06980	49.5
83.04897	17.9
83.08525	4.7
91.05401	23.8
93.06976	37.3
95.04898	40.0
95.08546	20.4
97.06475	4.7
105.06981	18.0
107.08549	20.2
109.06462	4.7
109.10118	13.5
119.08560	11.6
121.10143	5.8
123.11610	2.8
125.09579	4.9
133.10094	13.3
147.11649	4.7
151.11148	28.9
160.53307	2.9
161.13287	3.9
165.12732	7.0
231.21043	4.3
249.22224	4.3
277.21564	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.30434	4.1
53.03881	10.5
54.13221	3.1
55.01799	16.9
55.05448	50.5
57.03384	4.9
57.07007	10.5
67.05428	100.0
69.03355	7.4
69.06998	44.1
71.08555	31.8
79.05409	68.5
81.03340	71.3
81.06971	67.9
83.04889	19.5
83.08546	17.7
89.28151	4.4
91.05391	46.3
93.06975	75.5
94.27206	4.5
95.04903	32.5
95.08524	52.3
97.06453	8.2
97.10133	6.1
99.08033	5.2
105.06985	32.8
107.08524	28.1
109.06437	9.0
109.10115	34.2
109.76533	4.4
115.79668	4.6
117.06998	5.7
119.08529	26.7
121.10082	31.8
122.88734	4.4
131.08559	5.8
133.10089	8.3
137.09540	15.7
147.11682	17.5
151.11148	24.9
161.13222	9.3
163.11014	4.7
179.14389	5.2
185.13084	5.3
190.64708	4.7
195.76591	4.7
241.19574	4.5
258.53302	5.1
259.20447	4.2
277.21524	80.6
295.22794	6.4
319.22418	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	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03893	3.1
55.01807	18.9
55.05449	76.9
55.53577	2.9
57.03380	3.3
57.07005	13.4
60.08815	3.5
67.05428	100.0
69.03349	5.3
69.06981	32.4
69.56503	3.2
71.04925	5.2
71.08545	61.1
72.08104	3.2
73.98525	2.9
79.05416	55.8
81.03333	8.2
81.06985	59.5
83.04901	8.5
83.08547	40.1
86.37864	3.2
87.52509	3.3
88.81895	3.3
91.05406	33.8
93.06958	47.1
95.04895	14.7
95.08543	37.2
97.06481	6.3
97.10106	31.4
98.76385	3.5
99.08019	29.5
105.06960	23.7
107.08540	41.6
109.06475	5.0
109.10107	20.9
111.07999	6.4
117.06968	4.8
119.00505	3.6
119.08524	17.6
120.41764	3.5
121.10094	7.9
125.09592	20.5
129.06978	4.9
133.10100	7.8
135.11635	8.5
137.09650	4.4
145.10147	5.4
149.13272	4.6
151.11172	50.3
163.11179	21.2
173.68259	3.6
179.14284	6.1
185.13301	4.1
189.11197	4.9
199.53613	3.4
240.15329	4.0
259.20483	4.6
264.52322	4.1
277.21503	60.5
295.22183	4.7
301.44806	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03872	0.7
53.11550	0.4
55.01817	0.8
55.05237	0.6
55.05457	10.9
57.07000	1.1
62.92952	0.4
67.05084	0.6
67.05428	14.2
68.21706	0.5
69.03333	1.0
69.06983	4.5
69.52668	0.5
70.46057	0.6
71.08543	4.4
79.05405	6.7
81.03327	3.7
81.06985	7.8
82.07364	0.6
83.04872	1.0
83.08530	3.0
89.26278	0.5
91.05422	4.6
91.88161	0.5
93.06979	5.5
94.04105	3.7
95.04381	0.7
95.04912	1.2
95.08540	5.0
97.06470	0.7
97.10115	6.7
98.19633	0.6
99.08028	1.1
103.52014	0.5
105.06963	2.1
107.04921	0.5
107.08532	3.0
109.06444	0.9
109.10103	2.9
111.08006	0.6
121.00443	5.8
122.03606	10.5
123.03936	5.6
125.09584	3.7
130.00920	0.6
131.08563	0.7
133.10046	0.9
135.11693	0.7
137.05957	100.0
138.06293	54.2
141.12802	0.7
143.01749	2.4
143.08464	0.6
151.11140	3.0
157.41771	0.6
161.13292	0.8
172.01036	0.8
177.00108	2.4
189.11177	2.5
217.02522	2.4
253.85509	0.6
263.56525	0.6
277.21469	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	295.2267
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
50.31025	1.7
53.03886	19.1
54.81526	2.4
55.01810	10.4
55.05451	50.2
57.03373	4.8
57.05383	1.7
57.07008	11.3
58.01268	1.7
58.02891	3.5
58.93589	1.8
59.04926	1.8
62.32398	1.7
67.05077	3.7
67.05427	100.0
69.03348	11.9
69.06985	44.8
69.57599	1.9
70.88661	1.7
71.04912	8.7
71.08556	23.5
79.05404	56.7
79.70768	2.1
81.03337	70.1
81.06974	51.8
83.04905	18.0
83.08545	11.9
84.32272	1.9
91.05406	29.0
93.06964	65.2
95.04892	49.1
95.08535	48.1
97.06468	10.2
97.10094	4.9
99.08041	4.8
105.06973	13.7
107.04906	2.1
107.08543	28.3
109.06467	10.7
109.07234	2.0
109.10123	38.1
113.37273	2.1
113.74481	2.2
117.06987	5.0
119.08541	16.2
121.10097	19.0
123.08007	2.9
123.11608	3.1
127.83676	1.9
131.08578	10.0
133.10072	10.9
133.80472	1.9
135.11653	5.0
137.09598	20.9
139.11183	3.6
145.10152	4.4
147.11760	7.0
149.13220	4.2
151.11165	33.5
161.13277	3.3
163.11169	2.9
179.14261	3.2
184.35587	2.2
249.22101	3.3
277.21555	66.3
294.28043	2.8
295.22592	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03880	10.0
55.01812	9.1
55.05455	91.2
55.08229	3.7
56.20870	3.4
57.07008	6.8
57.29124	3.4
58.38425	3.8
59.04928	4.8
61.60417	4.9
67.05429	100.0
69.03311	4.7
69.07002	31.7
71.08549	66.8
79.05412	46.1
81.03337	30.1
81.06973	72.5
83.04900	8.9
83.08537	40.4
89.80857	4.5
91.05392	31.6
92.64180	4.5
93.06972	49.6
94.26797	3.9
95.04894	24.4
95.08535	37.5
97.06510	6.2
97.10109	45.5
99.08023	35.6
105.06973	26.1
107.08534	36.3
109.06456	8.4
109.10107	21.7
119.08502	9.0
121.10110	17.3
125.09577	27.7
133.10092	18.2
135.11623	6.8
151.11147	47.0
161.13211	9.5
163.11156	17.5
179.14230	7.6
183.81642	5.0
189.11230	23.4
259.20517	9.1
277.21564	60.9
295.22607	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	295.2266
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
52.26706	2.2
53.03889	2.8
55.01796	16.2
55.05454	68.9
57.03354	3.8
57.07008	8.5
65.03849	2.7
67.05080	3.9
67.05428	100.0
69.03348	3.6
69.06989	30.6
71.04889	3.4
71.08550	32.4
71.90177	3.1
72.49339	2.1
79.05408	60.9
81.03338	9.6
81.06977	68.4
83.04886	17.9
83.08546	28.6
87.27251	2.3
91.05404	36.2
93.06978	57.9
95.04886	18.3
95.08529	45.6
97.06445	3.3
97.10118	29.3
99.08029	18.0
105.06987	25.4
107.08547	27.3
108.90084	3.3
109.06445	9.8
109.10124	19.9
111.07999	4.8
117.06947	3.1
119.08534	20.3
121.00437	26.3
121.10083	15.3
121.50599	9.4
123.07972	5.3
123.11621	3.5
125.09582	12.8
129.06938	2.5
131.08493	3.3
132.52946	2.8
132.54008	2.3
133.10089	13.7
135.08012	3.2
135.11655	13.9
137.05942	2.6
137.09660	2.8
139.10994	2.7
143.01743	3.6
145.10056	4.9
147.11650	5.6
149.13242	4.5
151.11145	15.0
161.13216	10.3
163.11188	4.1
173.13156	2.7
174.29543	2.3
177.00272	2.2
177.50372	3.0
189.11198	11.8
206.15823	2.6
214.92548	2.5
221.15321	3.0
238.53877	2.2
240.95163	2.8
241.19405	3.0
277.21561	42.5
295.22534	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	295.2267
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.03882	5.5
55.01807	27.1
55.05452	100.0
55.54548	4.7
57.03367	4.8
57.07025	6.1
58.02900	41.4
58.79141	4.8
67.05428	93.0
69.06986	98.2
71.08535	11.8
79.05416	51.5
80.23798	4.6
81.03341	20.9
81.06976	69.8
83.04891	21.2
83.08537	27.0
91.05423	34.0
93.06976	56.3
95.04885	11.7
95.08523	61.8
97.06448	8.5
97.10112	7.2
105.06985	20.9
107.08546	27.9
109.10093	31.0
116.31902	5.2
119.08539	12.6
121.10056	21.5
125.09608	6.1
133.10101	21.2
137.09596	21.9
139.11172	12.4
151.11160	7.7
277.21548	51.5
295.22629	37.7
295.28085	19.2
313.26694	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.28387	1.7
53.03884	3.4
55.01802	5.4
55.05196	2.1
55.05451	51.2
57.03371	8.4
57.06998	9.0
67.05077	3.5
67.05430	100.0
69.03347	2.7
69.06983	45.4
71.04910	9.0
71.08187	3.8
71.08547	79.5
72.73571	2.6
76.40683	2.1
79.05404	67.5
81.03316	8.0
81.06973	86.4
83.04890	15.1
83.08540	20.1
85.06432	3.3
91.05409	37.6
93.06972	80.1
95.04900	23.9
95.08530	87.4
97.06449	13.2
97.10091	16.5
99.08016	32.9
101.02087	2.0
104.28025	2.0
105.06975	25.5
107.04884	5.0
107.08518	28.5
109.06479	5.3
109.10110	17.4
111.08047	2.9
114.47919	2.1
117.06969	8.9
119.08535	24.5
121.10087	37.1
125.09568	8.9
127.20052	2.3
127.58329	2.1
131.08534	5.4
133.10089	14.2
135.11642	14.1
137.05960	36.3
137.09583	3.9
138.06277	20.9
139.11150	3.7
143.08505	4.2
145.10078	10.7
147.11688	4.2
149.13210	8.1
151.11157	58.6
159.11743	3.7
161.13202	16.8
163.11145	30.6
171.11681	2.9
179.14264	11.5
185.13213	3.6
205.87379	2.5
235.28078	2.6
241.19530	3.3
259.20486	10.0
277.21576	67.9
295.22501	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
51.97057	3.8
53.00248	4.3
53.03870	6.0
55.01806	8.3
55.05453	97.9
55.82212	4.4
67.05077	5.1
67.05427	100.0
69.06985	25.9
71.04888	4.4
71.08545	62.8
79.05413	59.0
81.03329	26.1
81.06975	75.8
83.04893	9.9
83.08534	32.0
88.85850	5.2
89.23869	4.3
91.05406	39.7
93.06972	68.0
95.04889	22.9
95.08525	38.3
97.10081	48.1
97.33825	4.7
99.08031	37.5
101.87283	4.4
105.06967	29.3
107.08534	34.5
107.15388	4.5
109.10109	27.2
110.01424	4.9
115.83283	4.3
119.08504	17.4
121.10079	10.1
123.07984	5.5
124.60695	5.2
125.09601	26.4
125.44567	4.5
133.10098	8.8
135.11613	20.4
141.56436	5.0
147.11658	17.5
147.27698	4.6
149.13220	7.7
151.11157	51.2
163.11148	11.8
165.12680	5.5
189.11179	29.2
277.21533	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
51.93536	2.6
53.03879	3.9
54.11326	2.4
55.01815	26.5
55.05453	81.4
56.96483	4.3
57.03376	4.3
57.06990	5.4
60.67887	2.7
63.72692	2.7
65.18676	2.8
67.05431	100.0
67.07237	3.2
69.03340	6.7
69.06989	35.0
71.04911	5.5
71.08548	68.0
79.05408	60.0
81.03341	25.4
81.06979	71.3
83.04891	18.3
83.08542	41.0
85.10058	3.7
91.05397	35.9
93.06974	57.6
95.04886	25.0
95.08544	39.4
97.06449	4.1
97.10093	42.3
98.97490	4.9
99.08028	38.0
105.06976	36.4
107.08531	45.0
109.06420	4.2
109.10115	17.1
111.08026	7.0
111.81948	2.9
117.06975	6.4
119.08550	23.4
121.10083	18.0
123.08040	3.6
125.09575	25.0
131.08531	4.6
133.10068	16.4
134.99606	6.4
135.07985	4.3
135.11668	7.8
145.10104	7.6
147.11639	11.3
151.11151	49.1
151.21745	3.4
161.13182	19.4
163.11111	25.4
165.12764	5.2
179.14294	6.0
189.11212	13.2
259.20517	5.5
277.21564	67.6
295.22745	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	296.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04950	1.2
60.06104	0.8
60.08089	5.9
63.70387	0.8
67.21327	0.9
71.07282	4.8
75.17448	0.9
77.51112	0.8
86.09623	32.3
92.52570	0.8
104.10674	100.0
115.31910	0.9
183.01840	1.0
185.85545	1.0
236.99161	19.7
296.06516	39.8
296.09891	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11376	2.4
54.43716	2.6
55.05443	3.9
56.73669	2.6
56.96238	5.8
56.96502	97.1
68.03121	3.2
72.95958	40.1
81.06967	4.1
87.04371	3.5
92.04919	3.8
105.97714	3.3
130.06474	16.5
145.02795	7.9
152.10719	12.7
153.11084	4.9
177.05435	7.3
178.05766	6.3
180.10185	5.8
188.03815	4.6
192.03348	13.2
196.02728	3.4
198.04306	4.5
204.03323	17.9
206.04866	55.3
210.04413	4.8
219.01994	6.6
220.02835	31.9
222.04350	19.9
224.05930	32.0
226.03812	15.1
231.08966	4.6
236.02333	4.5
238.03854	16.8
249.10002	3.6
250.03822	42.4
268.04871	100.0
291.06696	6.3
295.15045	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	296.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	0.2
70.30025	0.2
73.68777	0.2
85.02800	0.2
89.03835	2.6
92.10881	0.3
94.60551	0.2
98.75070	0.2
98.97495	0.4
107.04921	0.2
113.42349	0.2
117.03325	10.4
124.05154	0.2
134.03590	1.3
135.04395	0.4
144.04416	0.4
145.02821	57.9
146.03189	0.5
149.05954	4.1
162.03087	1.4
163.03864	0.3
176.07042	1.4
177.05431	100.0
178.05785	0.8
186.05420	0.5
218.08075	1.2
219.08899	2.5
234.11200	67.3
235.11496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1354
Annotation	N6,N6-Dimethyladenosine
Peak:m/z	Relative Intensity
50.10698	0.1
55.01816	1.4
55.05435	0.2
56.96494	0.8
57.03141	0.1
57.03370	2.1
59.04916	0.1
61.02840	0.7
67.05412	0.7
69.03350	1.5
70.06501	0.5
71.01257	0.7
71.06013	0.2
72.08053	0.2
72.70317	0.1
73.02832	1.3
74.87092	0.1
76.83089	0.1
79.05399	0.3
79.32085	0.1
81.03319	0.5
81.06975	0.2
83.04920	0.1
84.08073	0.2
84.95922	0.3
85.02831	1.9
86.09609	0.1
87.04388	0.2
91.05405	1.3
93.06961	0.2
94.03983	0.2
94.20017	0.1
95.04906	0.2
97.02847	0.9
98.97523	1.6
105.06973	0.9
107.04890	0.3
109.02815	0.1
110.07071	0.2
110.97512	0.2
114.21484	0.1
115.03828	0.3
116.01213	0.2
116.98567	1.8
117.02050	0.1
119.04877	0.3
119.08453	0.2
121.05031	0.6
123.06597	0.5
126.02515	0.1
127.03850	0.1
128.02263	0.2
128.98524	0.9
130.06480	3.7
131.06863	0.5
131.08545	0.2
133.04976	0.1
133.10068	1.8
134.99623	1.0
140.02280	0.3
145.02856	0.7
146.99628	1.2
147.04289	0.2
149.01157	0.2
149.02795	0.1
149.06972	0.7
152.03276	0.2
155.02754	0.3
158.06004	0.3
158.99573	0.6
161.01160	0.6
162.07733	0.6
163.03935	0.1
164.09283	100.0
165.00661	0.2
165.09639	0.5
170.03307	0.6
175.03877	0.1
176.06981	0.2
177.00703	0.9
177.05443	0.7
189.00690	0.7
191.03886	0.5
197.54416	0.1
200.04395	1.0
206.10399	0.2
206.54808	0.1
219.01718	0.7
234.11319	0.2
237.02724	2.8
237.04903	0.2
238.03192	0.2
255.03804	0.8
260.04807	0.1
279.03775	1.0
296.13477	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	296.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95617	1.1
53.80949	1.1
63.39521	1.1
67.05434	1.1
79.05382	2.0
81.06966	1.9
81.31380	1.2
82.07325	1.2
91.05413	1.3
92.10874	1.3
93.06958	1.2
107.08530	1.4
121.04738	1.2
122.53699	1.4
149.02338	1.3
154.80608	1.2
296.25540	100.0
297.26178	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81474	1.2
60.30777	1.1
67.05418	1.5
80.91434	1.3
91.86168	1.2
107.59394	1.3
112.14690	1.4
114.36501	1.5
133.06429	2.9
227.29866	1.5
245.08186	1.3
245.90955	1.4
261.22534	1.5
292.03027	1.3
296.25562	100.0
309.14828	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.7
54.10640	1.3
55.01801	7.8
55.05447	23.2
56.05772	2.4
57.07005	2.9
62.07880	1.5
64.33314	1.4
67.05424	24.5
68.05756	9.4
69.06995	12.5
70.07284	1.8
71.04942	1.7
71.08559	31.9
72.08860	8.3
76.56190	2.0
77.02134	1.7
79.05406	13.9
79.26574	1.9
80.05748	6.0
81.03329	3.1
81.06969	23.0
82.07304	8.1
83.04884	1.9
83.08533	7.4
84.08879	3.1
85.06428	1.9
85.35612	1.7
91.05399	9.3
92.05734	7.2
93.07001	12.6
94.07302	7.2
95.04892	2.6
95.08527	15.0
96.08850	2.1
96.34118	2.0
97.10092	2.2
98.10413	2.6
99.08026	17.6
100.08353	7.0
105.06996	9.5
106.07337	6.4
107.04906	2.2
107.08527	7.7
108.08850	2.2
109.06447	3.2
109.10101	3.2
112.08374	2.4
119.08541	3.9
120.08858	2.6
121.00428	8.1
121.10100	3.0
122.10438	2.8
124.04030	1.8
125.09522	2.0
130.00909	1.9
133.06473	3.4
133.10109	3.7
134.10373	1.9
134.69432	1.8
137.05940	21.0
138.06284	27.6
139.06506	16.1
146.10431	2.6
151.11134	19.6
152.11449	14.2
158.85806	1.9
161.13275	2.7
162.13528	1.8
163.11177	7.7
164.11522	7.2
167.99692	2.4
172.00845	2.4
236.10712	1.7
255.14474	1.8
260.20825	2.6
273.10809	1.7
278.21985	16.4
296.25580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	3.6
54.81672	2.3
55.01816	1.9
55.05447	21.9
56.04967	11.3
57.07006	11.5
58.02890	10.5
60.04462	1.7
65.03848	2.5
67.05432	41.1
67.16376	1.7
68.04941	5.1
69.06988	21.7
70.06500	3.6
71.08537	4.7
79.05408	37.6
80.04935	12.8
81.06985	37.0
82.06503	33.8
83.04903	2.2
83.08541	10.7
86.05981	2.8
91.05401	47.5
91.56018	1.9
93.06973	36.8
94.06509	14.9
94.07265	2.7
95.04889	12.8
95.08546	22.1
98.05971	2.2
105.06347	2.7
105.06978	27.9
106.06472	2.2
106.07294	2.8
107.08539	11.7
108.08055	4.7
109.06529	2.9
109.10097	4.4
110.05986	2.2
117.06951	4.8
119.08525	8.6
120.08054	8.6
121.10078	2.7
131.08521	5.3
132.07985	2.4
133.06471	2.5
133.10097	2.6
134.06833	4.5
134.09657	4.7
135.10486	2.3
146.09663	4.6
170.55359	2.4
184.12817	2.3
246.22217	2.3
248.23692	12.6
260.23837	5.3
278.22113	3.7
278.24707	100.0
293.45593	2.9
296.23053	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	296.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	1.7
55.05449	29.3
57.06775	2.3
57.07012	40.9
58.02896	100.0
62.27736	1.8
65.62820	1.9
67.05410	9.3
69.06991	40.2
71.08538	16.1
76.22845	2.3
79.05398	3.5
81.06957	4.6
83.08542	16.7
84.69350	1.8
85.10087	4.8
86.05980	3.9
86.08663	2.2
92.10824	2.9
92.63924	1.9
93.06963	3.2
95.08517	4.7
97.06432	3.9
97.10085	8.0
100.07538	12.0
107.08530	2.3
109.10130	2.6
111.11666	2.0
114.09112	10.9
128.10674	9.6
135.11641	2.4
142.06944	1.8
142.12285	4.1
151.37869	2.0
152.00034	1.8
163.00748	1.8
165.33978	1.8
179.45273	2.1
189.05367	1.9
191.68950	2.3
223.11290	2.0
233.73831	2.1
296.29391	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97671	2.4
55.01818	4.8
55.05448	10.4
56.96493	4.6
67.05431	3.8
69.06979	11.3
69.76852	2.1
71.08531	2.9
81.06967	4.5
83.08533	10.5
84.04411	3.4
84.08057	2.6
86.09621	4.3
92.10288	10.8
95.08540	3.2
98.97499	17.9
100.07536	2.6
100.11188	32.2
105.07023	3.5
107.08556	2.6
108.92020	2.5
111.04393	4.5
116.98574	18.9
130.09651	2.4
134.99629	18.2
149.20447	2.3
153.00713	3.3
154.12224	5.9
168.13835	4.6
210.14812	3.4
240.75829	2.5
274.16614	2.6
274.97430	9.8
292.98438	11.4
297.16678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
55.05451	36.4
56.80361	2.7
56.96488	21.6
57.06981	4.7
67.05079	4.4
67.05428	91.1
67.21439	2.7
69.06985	54.7
71.08530	5.5
73.06438	3.3
79.05035	2.7
79.05417	37.3
81.06509	5.5
81.06973	100.0
81.14478	3.8
82.46523	3.0
83.04889	3.8
83.08530	19.2
85.06421	3.9
91.05403	13.3
93.06973	44.4
95.08538	86.1
97.06478	12.5
97.10085	6.5
98.97516	47.3
99.04362	5.0
105.06982	6.0
107.08521	26.3
109.10116	37.1
116.98574	66.3
119.08524	5.9
121.10083	21.2
123.08048	7.0
123.11653	7.7
131.08516	5.0
133.10074	8.3
134.99626	84.0
135.07954	3.4
135.11627	8.0
145.10138	4.9
146.41957	3.4
153.00720	23.6
161.13171	5.2
173.13173	3.9
250.97374	5.2
256.96301	5.6
261.22137	4.7
274.97455	35.0
279.23117	64.2
292.98465	53.3
294.33038	3.5
297.24121	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	9-Hydroxy-10E,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.11440	2.5
50.14122	2.2
54.20210	2.0
54.54575	2.5
55.05449	19.7
57.03365	3.7
57.06744	2.2
57.07015	54.7
67.05424	58.4
69.06975	15.1
71.08550	35.7
77.42332	2.6
79.05403	24.9
81.06972	64.9
83.04878	4.5
83.08537	13.0
85.06451	3.9
85.09634	4.6
85.10107	88.5
91.05409	49.5
93.06969	25.8
95.04859	2.6
95.08547	46.2
97.10065	4.2
99.07996	17.5
99.45698	2.3
99.91477	2.3
105.06997	22.4
107.08530	16.5
109.10097	16.9
113.09599	77.5
116.98553	3.0
119.08557	4.5
121.10098	12.5
123.11652	4.4
124.48804	2.4
131.08530	4.5
133.10098	39.4
135.11655	4.8
147.11639	17.1
149.09599	3.6
149.13203	5.9
151.11145	12.7
153.12749	3.2
163.11154	3.3
163.14763	2.5
165.12799	3.3
167.14252	11.5
173.76904	2.6
243.20955	6.0
248.24815	2.5
261.22009	6.1
279.23148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2422
Annotation	9-Hydroxy-10E,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.55077	1.8
54.15593	1.9
55.01807	2.8
55.05447	15.0
55.50424	2.2
60.53567	2.0
67.05428	39.8
69.06987	16.6
71.08549	100.0
76.56322	2.6
79.05405	14.5
81.06974	59.5
83.04942	3.5
83.08527	10.1
91.05386	18.0
93.06981	16.6
95.08533	37.5
97.06459	3.0
97.10075	3.4
98.90352	2.3
99.08029	53.0
105.06973	16.5
107.08528	12.1
109.10117	9.8
119.08545	12.9
121.10091	15.5
123.11666	3.5
126.33501	2.5
127.11089	2.1
131.08527	4.5
135.11685	3.2
145.10109	11.8
145.70985	2.2
147.11684	39.1
151.11171	2.2
153.12744	3.5
163.11194	5.0
163.14784	9.4
165.12717	14.1
173.13245	3.2
181.15839	4.1
233.22450	2.7
243.21115	3.8
261.22116	12.5
279.23114	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	297.2422
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
51.91982	3.4
53.03893	3.0
55.01805	8.3
55.05455	100.0
55.21949	2.9
57.03366	6.3
57.07016	5.4
59.04910	3.7
61.43006	3.2
65.45821	3.4
67.05427	77.7
69.03347	4.2
69.06985	65.8
71.04875	3.3
71.08530	3.6
79.02013	4.0
79.05412	49.7
81.06976	73.6
83.04896	6.5
83.08535	40.7
91.05390	6.0
93.06975	27.9
95.08536	51.3
97.10121	42.2
107.08533	33.4
109.10080	31.1
117.06992	4.4
121.10074	5.4
123.11613	5.2
125.09571	17.7
131.08514	5.9
135.11649	22.2
149.13248	5.5
189.11133	6.7
195.44379	3.5
261.22000	8.0
279.23157	43.4
297.24319	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	297.2423
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
50.72550	3.7
55.05456	42.0
56.69872	3.7
57.03363	4.5
57.07014	69.8
67.05128	5.6
67.05431	96.8
69.07002	30.2
69.07306	4.5
71.01250	6.8
71.08546	10.1
73.69263	4.4
79.05403	21.3
81.06975	100.0
83.08530	20.3
85.06436	5.4
86.71751	4.0
93.06982	30.5
95.08529	80.5
96.13265	3.9
98.97506	4.5
99.04374	22.2
105.06998	5.3
107.08542	17.7
109.10134	33.7
116.98564	6.4
119.08492	5.9
121.10077	8.1
123.11621	8.3
127.11127	5.7
133.10060	7.3
134.99669	6.6
135.11603	8.0
137.13277	5.0
145.09967	4.2
169.12204	69.8
228.88773	7.1
279.23065	45.3
292.98666	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.81844	0.1
55.23202	0.1
61.01080	5.9
63.48580	0.1
69.03346	0.3
69.06650	0.1
75.02617	2.7
81.13200	0.1
94.04008	0.2
97.02821	1.5
98.97499	0.2
103.02116	0.3
108.85881	0.1
119.03539	0.7
136.06165	100.0
137.04533	0.8
137.06575	0.3
145.03168	0.6
163.04185	0.8
164.78484	0.1
230.26631	0.1
298.09647	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	298.1143
Annotation	2'-O-Methylguanosine
Peak:m/z	Relative Intensity
54.81539	0.2
54.99708	0.2
55.01798	0.4
55.05436	1.3
57.03355	1.2
59.04679	0.2
59.04930	2.2
61.02843	0.4
61.72969	0.2
62.81749	0.2
69.03349	3.9
71.04912	0.3
73.02814	0.3
73.06452	0.9
75.04390	0.5
75.25249	0.2
78.16055	0.2
85.02823	1.6
87.04377	0.5
89.52804	0.2
97.02814	1.1
101.05940	4.6
109.05047	0.4
110.03479	3.3
115.03899	0.2
119.06984	0.5
128.04510	3.0
129.47556	0.2
134.04547	0.5
135.02985	5.1
135.48073	0.2
149.04584	0.5
152.05643	100.0
153.04045	17.9
153.05954	0.5
166.07198	9.3
167.05620	3.0
188.63643	0.3
193.84891	0.2
226.48900	0.2
309.27448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57522	0.5
55.01808	0.5
55.05453	9.8
57.03373	1.0
57.58407	0.4
59.04910	0.6
61.01098	0.4
61.02854	1.9
69.03348	2.7
69.33180	0.3
70.06506	20.0
71.04900	0.7
72.08069	100.0
73.02830	0.6
73.06465	3.9
81.03322	0.6
83.04912	2.5
84.04469	0.6
85.02831	11.4
86.09606	0.5
86.81638	0.4
97.02831	2.8
99.04385	0.5
101.05956	7.0
104.10694	2.9
109.02865	0.5
111.49181	0.4
116.06326	0.4
116.07040	21.3
118.08600	34.2
119.07001	0.9
127.03892	1.9
136.06168	4.4
145.04967	2.1
152.05695	3.1
166.07239	2.1
172.95294	0.4
175.39172	0.4
180.76276	0.5
183.06863	2.4
184.06392	0.5
193.10851	0.6
239.11316	0.6
257.34067	0.5
273.29349	0.4
286.85095	0.4
298.06589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2738
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
50.51236	1.2
53.42132	1.3
55.05451	25.6
56.04967	11.3
57.06998	3.8
57.24719	1.5
58.02885	3.3
59.38805	1.4
60.04454	3.1
62.10755	1.4
67.05431	37.2
68.04936	3.1
69.06986	24.0
70.26077	1.7
71.08540	2.4
79.05407	25.3
80.04927	3.8
81.06967	32.3
82.06506	20.9
83.08524	10.3
86.06011	1.9
91.05383	13.5
93.06970	12.7
94.06493	7.6
95.04887	3.4
95.08530	21.6
97.10075	1.9
100.07504	2.9
102.46717	1.5
105.06970	7.7
107.08540	3.8
108.08086	2.5
109.10074	5.8
119.08515	3.1
121.10053	2.1
122.09663	1.9
177.75330	1.6
250.25302	7.9
262.25229	3.2
280.26303	100.0
290.60858	2.1
315.86536	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.274
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
55.01818	20.4
55.05453	34.1
56.02149	2.8
56.05793	1.8
57.07008	12.4
59.04924	1.4
62.06019	100.0
62.91439	1.3
67.05435	32.4
68.05740	1.9
69.06989	40.3
69.80348	1.3
70.02872	2.6
70.07317	3.2
71.08556	3.3
79.05413	16.3
79.18568	1.4
79.72234	1.4
81.06977	32.7
82.07311	2.9
83.08552	17.5
84.08876	4.0
86.52782	1.6
86.90365	1.7
91.05392	3.2
93.06974	18.6
94.07300	3.5
95.08544	19.7
96.08860	6.6
97.06459	9.4
97.10098	11.6
98.10465	1.9
98.97534	3.6
107.08532	10.9
108.08913	2.2
109.10072	6.6
110.10418	3.2
111.11659	1.7
116.98578	6.6
119.69331	1.6
121.10091	10.7
123.11653	2.4
134.99629	7.3
135.11667	6.5
137.13258	1.8
153.12718	6.6
154.13022	3.2
189.00087	2.5
262.22339	2.0
280.23477	13.8
280.26318	5.6
292.98517	2.4
298.27380	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	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
53.25094	0.4
55.05443	2.4
55.90300	0.4
57.03379	0.4
57.06745	0.5
57.07009	10.1
69.06979	3.1
69.93301	0.4
71.04905	1.8
71.08541	7.2
74.05994	4.2
74.09624	0.6
81.06967	0.6
83.08539	0.7
85.10112	1.0
88.07551	18.6
88.11186	2.9
95.08496	0.6
99.06028	0.4
100.07570	0.6
102.09130	9.2
116.10673	2.6
120.27835	0.4
133.06793	0.5
139.30031	0.5
155.67863	0.5
158.15424	2.2
228.23180	37.7
229.23280	0.5
298.30991	100.0
299.31241	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	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
50.69257	0.2
53.00241	0.5
54.81708	0.2
55.01802	0.4
55.05452	2.1
57.03356	0.3
57.07013	13.5
60.08094	4.4
67.05421	1.0
69.06994	2.6
70.06516	0.2
71.04905	1.7
71.08550	4.0
72.08053	0.3
74.05994	3.8
81.06967	1.3
82.06523	0.2
83.04890	0.3
83.08555	2.0
85.06432	0.2
85.10109	0.9
86.05973	0.5
87.04398	0.2
88.07552	10.6
93.06989	0.2
95.08527	1.0
96.64719	0.2
97.10107	0.4
100.07556	0.3
102.09113	5.6
103.51193	0.2
109.10091	0.4
114.09089	0.3
116.10672	3.3
116.57270	0.3
120.14834	0.2
130.12257	3.8
136.06203	0.3
141.20349	0.2
144.13841	1.8
158.15373	0.5
222.64767	0.3
228.67296	0.3
256.26285	13.4
295.90182	0.3
298.30978	100.0
299.31302	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
55.05443	1.4
57.07006	13.0
58.02886	8.8
59.24289	1.4
71.08556	2.1
74.09614	2.2
85.76500	1.3
88.07539	6.2
102.09139	11.5
116.10680	6.5
118.62645	1.4
123.74706	1.3
127.56727	1.4
140.29901	1.3
254.98929	1.5
293.27850	1.4
298.31006	100.0
298.34149	3.5
309.93771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64886	0.9
54.38350	0.6
55.05438	0.8
57.07008	10.3
58.02884	1.3
60.08092	29.0
71.08526	3.6
85.10107	1.1
86.05989	1.4
88.11023	0.7
92.10356	0.8
104.79849	0.7
104.93382	0.8
105.07972	0.9
116.10693	1.8
128.02060	0.7
130.12239	3.3
298.30978	100.0
299.31326	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3103
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
52.20811	0.4
54.81445	0.4
55.05444	0.7
55.24863	0.4
57.06741	0.4
57.07014	10.4
60.08076	0.6
63.39321	0.4
70.28664	0.4
71.04880	0.4
71.08547	4.0
71.32082	0.4
72.04428	8.0
85.10110	1.7
100.07549	0.9
102.09111	4.3
115.56255	0.5
116.10690	6.8
130.12254	3.3
144.13792	0.4
160.90222	0.5
163.63724	0.5
177.09023	0.6
201.13927	0.5
298.30991	100.0
299.31332	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	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	2.2
55.01801	5.6
55.05457	10.8
56.96502	2.0
57.03378	14.0
61.02852	7.8
65.03848	1.8
65.39935	1.1
67.05437	2.0
69.03353	82.4
69.06976	1.1
70.39651	1.0
70.66256	1.0
71.04903	5.2
71.08527	1.1
73.02823	6.3
79.05421	5.4
81.03337	2.3
83.04900	28.0
83.08578	1.3
85.02827	29.1
87.04391	5.8
91.05420	10.8
95.08562	1.1
98.97543	2.0
99.04393	4.8
103.03874	6.4
105.06976	11.6
107.08543	100.0
109.06501	7.8
111.04381	13.7
114.86175	1.2
116.98534	2.5
119.05979	1.9
119.08544	7.5
122.56895	1.5
129.05449	17.6
134.99570	2.6
135.08026	50.7
147.06503	10.2
165.07526	5.0
166.30101	1.1
167.53915	1.1
174.03487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.2
55.01809	5.5
55.05450	13.4
55.45054	0.9
57.03372	13.4
61.02847	9.2
64.07347	1.0
65.03860	1.4
69.03348	91.1
70.03665	0.9
71.04898	6.0
73.02824	5.5
79.05402	2.2
81.03329	4.4
82.95342	0.9
83.04896	34.9
85.02825	30.7
87.04388	6.1
91.05405	13.3
93.06969	1.2
95.04898	1.0
97.14108	0.9
99.04375	5.0
99.83601	1.0
103.03884	7.4
105.06976	8.9
107.08534	100.0
109.06459	7.9
111.04369	14.8
119.05997	2.2
119.08512	2.1
121.06445	5.2
128.51770	0.9
129.05431	17.3
135.04425	1.5
135.08012	50.6
136.08452	0.9
147.06485	9.4
163.03851	7.2
165.07570	4.8
293.46469	0.9
300.12314	1.6
312.94177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27587	0.8
52.19625	0.9
53.03869	1.0
54.60852	0.9
55.01818	6.9
55.05450	15.0
57.03369	13.6
61.02858	7.1
65.03867	2.0
66.26705	0.9
67.05440	1.4
69.03348	86.6
69.06949	1.0
70.03639	1.0
71.04903	5.0
73.02831	3.8
79.05387	2.3
81.03320	6.8
83.04899	26.0
84.08067	1.6
85.02350	1.2
85.02827	26.9
87.04400	6.4
88.39889	0.8
91.05402	15.9
95.04873	0.9
98.97550	1.4
99.04371	3.8
103.03895	6.0
105.06963	9.6
107.08536	100.0
109.06441	7.4
109.10144	1.4
111.04376	15.0
112.00696	0.9
116.98552	1.4
119.04900	5.5
119.06074	1.4
119.08547	2.3
123.07993	1.7
129.05457	15.8
134.99612	1.3
135.08018	52.0
142.04832	1.0
147.04396	15.8
147.06473	10.7
148.04749	1.9
165.07556	7.5
184.79959	1.0
204.10181	2.2
235.86708	1.0
241.33659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43379	0.6
52.62399	0.6
53.03885	2.9
53.39563	0.6
54.81498	0.6
55.01814	6.6
55.05448	13.7
56.96501	3.0
57.03370	12.1
60.62186	0.6
61.02855	7.7
65.03848	1.6
67.05431	1.5
69.03349	86.9
71.04913	5.8
73.02834	2.7
76.56140	0.6
76.84035	0.7
79.05417	4.1
81.03315	6.5
81.06948	1.4
83.04899	28.9
85.02827	28.4
87.04377	5.4
90.74184	0.8
91.05405	16.0
95.04888	1.0
98.97495	1.1
99.04382	6.1
103.03892	6.8
105.06978	12.9
107.08537	100.0
108.08875	1.2
109.02868	0.8
109.06458	7.8
111.04383	14.4
119.06045	1.2
119.08527	4.4
129.05432	17.2
129.06982	0.7
134.99605	1.1
135.08018	55.6
145.02864	0.8
147.06487	6.4
151.07495	0.7
156.97940	0.9
165.07533	8.4
165.08748	0.9
167.06992	1.0
186.53957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	4.5
55.01798	3.2
55.05448	67.5
55.78176	2.3
56.96490	17.0
57.03357	15.0
57.06741	2.5
57.07007	71.1
59.92173	2.2
60.08086	4.5
61.02835	2.6
61.66672	2.4
61.68206	2.6
67.05422	43.0
69.03345	69.4
69.06987	75.0
71.04889	5.9
71.08549	41.0
77.91277	2.3
79.05383	16.2
81.06961	63.9
83.04890	29.7
83.08537	38.5
85.02824	21.7
85.10101	12.3
86.09620	19.5
91.05435	24.4
93.06969	22.2
95.08524	66.2
97.06430	6.1
97.10091	20.0
98.97491	3.7
99.08032	3.1
103.03854	6.6
103.64298	3.1
104.10691	23.7
105.06979	27.4
107.08537	100.0
108.75404	3.1
109.06448	4.8
109.10093	18.3
111.04396	14.7
116.98548	4.4
119.08539	6.8
121.10029	4.5
123.11655	6.8
125.00032	9.1
128.44754	2.7
128.63721	3.0
129.05405	14.2
129.52435	2.8
130.54129	3.0
133.10075	6.1
134.99590	5.6
135.08003	34.9
135.11661	3.6
138.52934	37.7
141.12669	2.8
146.99579	2.9
147.06433	6.1
147.11623	2.8
147.53455	4.9
149.01166	6.1
161.13249	3.0
176.29865	2.9
184.07268	14.8
185.09529	3.2
216.97752	3.2
227.99960	3.0
235.23994	3.0
240.09840	3.0
242.80466	2.9
245.22542	4.8
263.23447	6.4
269.63269	2.9
278.63855	11.9
307.12134	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	299.258
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.05450	31.8
57.03376	1.3
57.07011	100.0
67.05426	39.9
69.06987	45.9
71.04897	2.1
71.07901	1.4
71.08546	28.2
79.05412	11.4
81.06973	39.7
83.04922	2.1
83.08530	21.7
85.06474	2.2
85.10096	3.0
88.18732	1.4
91.05401	7.7
92.77467	1.4
93.06932	12.0
95.08533	33.5
97.06454	2.1
97.10094	18.6
105.06960	3.3
107.08496	5.5
109.10107	17.0
111.11666	6.8
112.28094	1.3
113.09695	1.9
119.08524	8.1
121.10079	8.3
123.11635	9.8
127.11142	7.1
133.10100	7.5
135.11687	2.1
137.13242	2.0
139.11256	2.3
141.12711	3.0
147.11629	5.4
149.01201	3.2
149.13257	1.9
151.11154	1.9
161.13188	2.9
163.14748	1.7
167.02313	1.8
175.14789	1.5
245.22551	7.6
253.25240	2.6
263.23727	2.6
271.70203	1.5
279.15262	2.2
299.25818	10.5
312.09241	1.4
324.75772	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2578
Annotation	(-)-cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
55.05459	77.2
56.70392	3.2
57.06778	4.1
57.07017	76.3
67.05115	6.2
67.05434	76.7
69.06991	80.5
71.08549	65.0
79.05404	17.6
81.06976	100.0
83.04879	4.0
83.08544	58.9
83.79971	4.8
85.10117	9.9
89.16764	4.2
91.05406	9.3
93.06958	24.3
95.08531	89.2
97.06405	4.4
97.10087	32.5
105.06966	8.9
107.08519	21.2
109.10104	35.0
111.11688	6.7
117.83150	3.9
119.08526	16.2
121.10122	8.5
123.11628	9.3
132.53883	4.3
133.10081	5.4
135.11658	3.9
141.07433	3.6
147.11681	6.0
155.14275	18.4
175.14766	4.8
212.12605	4.1
245.22520	17.6
263.23596	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	299.2579
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.00240	1.5
53.03891	1.2
55.05453	88.2
57.03383	1.3
57.07013	21.8
67.05074	2.7
67.05427	60.6
69.03342	1.7
69.06987	100.0
71.04906	6.5
71.08537	6.1
72.04432	1.5
79.05411	25.7
81.06973	76.0
83.04906	2.5
83.08537	66.6
85.02813	1.6
85.06448	6.8
85.10087	1.6
91.05415	22.9
92.10830	2.1
93.06965	32.9
95.04920	1.8
95.08531	66.0
97.06466	9.9
97.10088	37.7
105.06980	19.3
105.12607	1.4
107.08543	22.5
109.10101	32.2
111.08053	3.0
111.11661	11.1
119.08543	15.9
121.10080	22.1
123.08059	3.0
123.11641	10.7
125.09592	2.2
125.13230	2.3
133.10088	13.3
135.11629	11.4
136.00096	1.3
137.09593	2.2
137.13251	3.0
147.11665	7.5
149.13232	9.3
151.11174	2.5
153.12820	1.7
159.80472	1.4
161.13222	7.2
163.14810	6.5
175.14867	2.6
179.14290	1.5
193.15907	1.8
245.22594	7.9
258.24323	3.3
263.23657	10.9
271.24359	1.5
280.26334	2.5
281.24634	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	300.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66856	2.0
55.01816	2.4
55.05450	11.2
55.69041	1.7
56.14359	1.9
56.96509	15.5
57.03362	4.2
58.23042	1.6
67.05425	12.7
69.03342	16.6
69.06982	4.9
70.06517	3.1
71.04916	3.7
72.08066	7.4
79.05403	8.5
81.03327	2.3
81.06967	9.7
83.04903	4.3
84.95958	12.0
85.02824	2.9
86.49731	2.0
89.03840	20.5
91.05401	21.7
93.03326	3.4
93.06979	22.0
95.04905	27.7
95.08541	12.6
97.02820	3.1
97.06467	3.7
98.97520	37.4
103.05400	3.2
105.06972	35.2
107.08547	13.0
109.02821	3.3
109.06461	16.0
110.97507	3.0
111.04385	19.7
111.08063	3.2
113.05964	4.1
114.37318	2.3
116.98550	26.6
117.03343	34.9
117.07001	9.8
118.03707	5.0
119.08524	52.7
121.02862	2.5
121.06441	21.4
121.10096	5.0
123.08012	20.0
125.05897	2.2
128.06183	3.0
128.98599	11.7
129.06978	9.4
131.08537	23.2
133.06467	3.3
133.10077	12.3
134.99625	12.1
135.04420	2.5
135.08022	43.1
137.09633	8.0
139.03838	4.3
141.06902	2.5
142.07771	7.8
143.08530	5.3
144.05739	2.3
144.09355	4.5
145.02823	81.6
145.06454	9.4
145.10114	19.0
146.03175	13.4
146.99655	11.2
147.04413	4.1
147.08032	23.2
147.11612	8.0
149.05978	13.0
149.09558	3.4
155.07341	2.4
155.08534	3.7
156.09309	8.4
157.10120	11.3
158.07193	16.4
158.10933	2.7
158.99579	2.1
159.08035	26.5
159.11653	22.6
161.01241	2.7
161.08479	2.3
161.09581	19.8
165.09111	14.7
168.09340	2.8
170.99593	7.7
171.08044	3.9
171.11697	8.6
172.08813	14.0
173.09622	9.8
173.13232	12.2
175.03804	2.8
175.07497	27.5
175.11102	18.9
177.00671	9.8
177.05446	80.2
177.06923	3.8
178.05742	15.3
183.11682	3.6
185.09650	3.2
187.11124	17.4
189.00693	12.5
189.09074	9.9
189.12776	5.2
193.08603	4.4
196.08771	3.2
199.11151	13.3
200.52710	11.3
201.00708	17.6
201.12679	16.7
203.10683	16.9
211.11172	12.7
217.12283	11.5
219.01704	17.5
219.13646	2.8
229.12257	9.5
235.13213	3.7
237.02805	8.4
247.13300	36.7
257.07916	4.6
261.02820	11.2
265.14304	100.0
279.03912	12.5
300.13135	9.4
301.11404	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	300.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85893	1.8
53.03876	3.5
55.01794	2.5
55.05439	10.6
56.96492	3.9
60.04441	7.9
62.69154	1.7
63.95926	1.9
65.03853	4.5
67.05434	15.3
69.03349	28.0
69.06973	2.1
70.06492	2.3
71.04899	8.8
76.55883	2.4
79.05412	17.4
81.03326	7.9
81.06983	18.4
83.04908	15.0
87.04372	8.1
91.05401	30.9
93.03313	7.8
93.06975	37.2
95.04909	36.3
95.08514	15.3
97.02811	3.5
97.06458	7.6
98.97510	3.0
105.06976	44.3
106.04970	9.5
107.04887	4.8
107.08559	25.1
109.02814	15.8
109.06470	22.0
109.10097	3.3
111.04398	24.0
113.05952	4.6
116.98548	3.5
117.06973	14.7
119.04929	3.2
119.08536	76.6
121.02808	9.4
121.06458	28.8
121.10062	21.5
123.04351	2.4
123.08006	12.9
125.09489	1.9
128.06120	4.4
129.06923	10.0
130.07739	2.8
131.07628	3.0
131.08539	49.4
132.48022	2.0
133.06474	8.5
133.10095	22.3
134.99606	4.8
135.08035	28.7
137.09647	5.8
139.03877	8.0
139.07491	2.4
141.06978	3.1
142.07736	8.6
143.08508	20.3
144.09293	4.7
145.02760	3.5
145.06456	4.0
145.10103	20.9
146.05972	3.9
147.04391	4.1
147.08020	26.8
147.11707	4.6
149.02411	2.5
149.05960	4.1
149.09583	40.0
150.02608	3.1
151.07483	2.5
153.06943	2.4
155.08505	4.1
156.09273	14.0
157.10072	12.5
158.07196	9.8
159.08029	25.6
159.11658	35.6
160.08658	2.2
161.05911	2.3
161.09593	30.9
163.03877	4.2
165.09113	14.4
166.07741	3.7
167.10541	2.6
168.09245	10.5
169.10107	2.7
171.08006	3.1
171.11626	12.9
172.08807	14.6
173.09563	9.7
173.13248	13.9
175.07483	31.2
175.11131	9.9
177.05424	2.0
177.09029	2.6
177.12747	2.4
181.10120	8.4
183.11696	9.2
184.08893	3.5
185.09523	3.5
187.11148	19.2
189.09059	12.2
189.12645	7.8
193.08533	10.0
193.10065	5.0
196.08777	3.9
199.11168	48.1
201.12685	16.2
203.10648	14.7
205.12178	3.4
206.09328	3.0
207.10092	11.7
211.11104	14.0
217.12164	24.4
219.13800	8.1
228.02815	2.3
229.12149	19.6
235.13249	4.5
247.13255	87.1
265.14288	100.0
266.14517	3.1
277.00574	3.4
300.18118	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	300.2893
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
54.81078	0.4
56.55043	0.5
56.96485	0.6
57.07009	14.2
58.06514	0.5
65.62164	0.4
67.87202	0.5
70.06141	0.6
70.06502	12.1
71.08543	5.8
77.00813	0.6
78.61260	0.4
84.08078	4.5
85.10090	2.2
88.07552	5.4
88.91741	0.4
92.10281	0.5
95.01868	0.5
100.07527	4.3
114.09116	22.5
116.98512	0.6
121.10052	0.6
122.63219	0.6
123.02095	0.5
130.08607	2.3
132.10162	39.1
153.00655	0.6
255.14348	4.1
256.26242	2.5
279.67493	0.5
300.28897	100.0
301.29141	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	300.2894
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
50.36572	1.3
50.71914	1.2
51.49548	1.3
57.06768	2.2
57.07016	28.6
62.06020	100.0
69.06988	3.2
71.08559	16.7
76.12277	1.7
81.06960	3.1
85.10108	3.4
85.23085	1.7
86.37986	1.7
95.08537	10.3
124.41267	1.8
126.74046	1.8
128.90340	2.0
136.81139	1.5
137.08060	1.7
139.67091	1.8
141.51552	1.4
192.76530	2.0
232.02565	1.7
239.56017	1.8
282.28006	2.8
283.26291	9.9
300.28955	19.6
300.32202	3.3
306.00369	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1191
Annotation	5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]
Peak:m/z	Relative Intensity
55.02163	0.4
55.05439	0.6
56.96494	1.0
69.03361	0.5
70.06503	2.9
71.86527	0.5
84.08087	0.6
86.09633	2.8
91.05477	0.5
92.10885	0.7
98.97489	1.0
116.07042	0.8
116.98553	1.1
117.03330	0.8
121.02805	3.3
127.61337	0.7
134.99661	2.4
137.63126	0.6
145.02797	1.3
148.58127	0.6
162.05496	0.8
162.07680	0.8
171.05603	3.5
177.05377	2.1
179.04820	0.5
227.04572	0.9
283.10886	3.4
301.11859	100.0
302.12042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28013	5.8
55.05444	32.1
57.07008	12.9
59.12499	6.7
67.05418	32.6
69.06975	29.2
71.04917	8.0
78.33989	7.0
79.05421	37.0
81.06982	54.8
83.08562	7.8
88.03929	43.7
91.05401	70.0
93.06970	61.2
95.04888	28.3
95.08543	42.7
97.06438	26.3
99.66601	7.2
105.06984	98.4
107.08559	66.2
109.06470	44.7
109.10120	36.2
116.98523	11.8
117.06969	29.9
119.08530	100.0
121.06469	10.4
121.10095	41.8
129.06985	16.1
130.07852	7.7
131.08536	85.7
133.10130	69.2
134.99622	10.4
135.08018	35.2
142.07751	13.4
143.08539	36.5
144.09312	15.6
145.10104	94.0
146.07220	10.1
147.11674	28.4
154.94246	8.3
156.09332	7.3
157.10098	32.2
158.10873	30.4
158.36517	8.7
159.11662	9.6
161.09547	54.5
172.95207	47.1
173.13280	71.7
177.00664	8.3
179.08453	8.5
185.13190	8.0
190.96265	50.2
191.14250	13.7
228.97810	10.2
246.89647	7.7
256.70547	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	302.1498
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
50.00193	0.5
53.77131	0.4
55.01797	2.3
55.05431	0.7
55.46988	0.4
56.96500	0.9
63.85071	0.4
70.06508	39.2
72.08066	0.7
74.99676	0.4
81.06953	0.5
86.09636	0.6
91.05402	0.8
98.97512	2.1
105.03291	0.6
107.08454	0.5
114.05476	21.9
115.05398	3.5
116.07038	15.3
116.98567	0.7
117.03336	0.7
117.05710	4.2
118.06456	1.0
119.04881	0.5
125.07080	6.1
130.06487	21.6
132.08055	65.3
134.99634	2.4
142.06505	7.5
144.08063	12.8
145.02838	0.9
147.04367	2.1
159.09143	100.0
160.07542	7.8
160.09485	0.9
163.03833	0.5
170.05971	24.1
171.07613	3.2
172.07527	3.0
177.00737	1.9
177.05428	0.8
191.02269	0.6
191.61366	0.5
219.01685	0.5
236.01492	0.4
243.11223	0.8
257.12787	1.1
285.12253	24.5
302.14868	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	302.305
Annotation	Sphinganine
Peak:m/z	Relative Intensity
53.84069	0.5
54.40084	0.6
57.07013	13.1
58.47775	0.7
60.12514	0.6
64.32971	0.5
65.18732	0.6
70.06145	1.1
70.06511	20.2
71.08548	5.7
83.71575	0.6
85.10114	0.9
88.07547	27.1
102.09093	7.0
106.08617	13.2
118.45303	0.7
187.85899	0.7
259.02676	0.9
282.76645	0.7
284.26642	0.9
284.29410	7.4
302.30481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50649	0.2
52.03876	0.2
59.22871	0.2
59.75827	0.2
61.67101	0.2
73.77775	0.2
86.18785	0.2
98.97504	0.3
101.00824	0.4
116.98591	0.4
119.01867	8.5
120.01980	0.2
134.99687	0.4
137.02914	4.9
146.32195	0.2
153.00885	0.9
158.99838	0.4
177.00906	20.9
178.01036	2.1
182.99907	0.3
193.04112	0.4
195.02008	1.0
201.00850	0.3
211.81331	0.2
217.04027	3.7
218.03816	0.4
219.01958	33.8
220.02086	3.6
221.01933	0.2
225.00868	1.4
238.95372	0.2
240.80698	0.3
242.03477	0.2
243.01845	4.7
244.02023	0.4
256.96536	1.4
260.04904	0.3
261.02988	100.0
262.03137	11.6
263.03256	1.0
274.97623	0.5
279.00827	1.2
284.04492	1.9
303.00772	1.6
303.04379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.3
53.41138	1.2
53.50743	1.3
54.79586	1.0
54.81979	1.2
54.87704	1.0
55.05442	10.9
56.96500	83.2
58.33255	1.0
60.76470	1.2
69.03337	9.6
70.06512	2.0
71.95181	1.6
73.06464	20.0
74.97495	2.0
78.24113	1.1
81.03329	5.1
85.02819	2.0
86.09607	2.5
97.02776	2.2
98.97505	16.1
101.05939	12.3
105.40633	1.2
114.37597	1.3
116.98576	22.6
130.06461	2.2
132.08075	11.4
134.99631	15.9
144.08093	1.5
153.00705	6.9
156.41179	1.3
174.02176	19.7
177.07892	1.3
188.03801	5.2
190.90660	1.2
192.03284	100.0
193.03563	1.3
204.03236	1.9
206.04872	29.3
210.04349	39.8
211.02664	1.4
215.04907	32.1
217.06474	18.2
220.02802	6.8
222.04333	7.3
224.05931	14.3
229.02655	1.7
233.05934	39.2
234.04123	2.1
235.07507	30.0
238.03833	5.5
240.05394	1.5
243.04353	7.3
247.03850	6.8
249.05453	2.3
257.10239	1.4
258.04123	1.6
261.05402	74.5
276.05075	1.4
279.06454	91.5
284.06979	2.5
302.08081	1.3
303.06439	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	303.0858
Annotation	Disporopsin
Peak:m/z	Relative Intensity
52.89357	0.1
53.00242	0.2
53.54609	0.1
55.01793	0.2
55.05454	0.2
55.14997	0.1
56.96493	0.1
63.02277	0.2
64.16695	0.2
64.60799	0.1
65.03852	0.4
67.01791	4.7
67.05403	0.2
68.99704	2.8
69.03351	2.4
70.06503	0.2
75.53616	0.2
78.04597	0.1
79.05383	0.2
81.03316	0.6
83.01279	0.3
85.02821	0.2
89.03841	4.9
91.05399	1.0
93.03326	0.2
93.06992	0.2
95.04887	0.6
97.02825	1.7
103.05406	0.3
104.78307	0.1
106.04129	0.3
109.20181	0.2
110.03660	0.2
111.00756	0.4
111.04391	1.4
116.98613	0.3
117.03331	17.9
119.04893	1.0
122.03643	0.3
123.04362	2.0
125.02337	0.4
125.05948	1.3
127.03929	0.2
129.01834	0.4
134.03596	1.4
134.99677	0.2
135.04388	2.7
136.05157	0.3
137.05960	3.8
145.02827	31.8
146.01080	0.2
149.05962	5.8
151.03839	1.3
151.07544	1.1
153.01805	100.0
154.02136	0.6
154.54115	0.2
162.03108	0.9
163.03804	2.1
171.02852	13.0
175.40036	0.2
177.05441	26.8
178.05943	0.2
179.03345	4.6
186.05467	0.6
191.06889	0.2
201.05531	0.2
219.06563	1.3
225.05493	0.2
248.06357	0.2
256.74481	0.2
287.05389	0.3
303.08578	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	Hesperetin
Peak:m/z	Relative Intensity
53.03907	0.3
56.96507	0.3
67.01792	4.1
68.99711	3.0
69.03338	1.5
79.05431	0.4
83.01294	0.5
89.03844	6.6
91.05413	0.9
92.10970	0.4
93.03332	0.5
97.02818	1.4
111.00736	0.4
111.04390	2.0
117.03333	16.6
121.06378	0.4
123.04393	2.1
125.05933	1.4
134.03595	1.8
135.04361	1.6
137.05946	4.3
145.02826	30.3
149.05960	6.5
151.07475	0.6
153.01804	100.0
162.03082	0.7
163.03889	2.1
171.02866	8.4
177.05434	29.6
179.03357	5.4
219.06447	0.7
253.04897	0.4
285.07587	0.5
287.05310	0.4
303.08572	32.7
304.09030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	Hesperetin
Peak:m/z	Relative Intensity
52.89181	0.2
55.01817	0.4
58.40391	0.2
63.02303	0.2
65.03867	0.2
67.01784	4.3
68.99699	1.7
69.03352	1.6
71.01254	0.2
75.66699	0.2
79.15356	0.2
81.40997	0.2
83.01237	0.3
89.03837	5.5
91.05416	0.9
93.03308	0.3
95.84986	0.2
97.02838	1.6
97.03401	0.2
103.05407	0.4
106.04147	0.3
111.00737	0.3
111.04422	2.1
117.03328	16.8
119.04902	0.7
123.04381	1.4
125.02331	0.3
125.05945	1.3
128.14597	0.2
134.03635	1.8
135.04387	2.6
137.05962	3.1
145.02823	32.5
149.05963	5.8
151.03894	1.4
151.07520	1.1
153.01802	100.0
154.02184	0.3
162.03096	1.0
163.03880	1.9
166.02525	0.3
171.02849	10.8
177.05432	29.4
179.03360	5.3
201.05420	0.3
219.06548	0.5
261.07361	0.3
284.03348	0.2
285.07416	0.3
303.08572	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44687	1.0
53.03883	3.5
55.05457	49.4
56.96497	2.2
59.08541	1.3
59.34860	1.4
69.03353	31.0
70.06510	2.7
71.04910	3.6
71.54561	1.3
73.06472	100.0
73.79311	1.2
79.73907	1.3
80.63740	1.2
81.03332	22.2
84.08070	2.0
85.02837	12.7
87.00771	2.2
97.02828	2.7
98.97539	1.6
99.04393	7.3
101.05956	47.6
106.59429	1.4
109.02840	3.0
111.04384	1.9
127.03863	8.6
134.99713	1.4
137.05948	6.7
138.06293	2.8
159.19565	1.3
173.01353	1.4
181.08546	5.4
189.07248	1.5
203.65768	1.5
213.03934	3.6
285.09796	6.4
303.10529	10.7
316.84610	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1224
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02318	0.2
52.68023	0.2
53.03896	2.6
56.96489	0.4
58.31181	0.2
65.03854	0.5
66.04655	2.1
67.05399	0.3
69.03305	0.3
69.06960	0.3
77.03841	1.0
79.04964	0.4
79.05408	10.2
81.06974	2.2
91.05392	1.1
92.02548	0.4
94.04117	6.8
95.04893	5.8
97.02750	0.3
98.03572	0.4
98.97525	0.3
104.99230	0.5
105.03318	0.9
105.04448	0.4
107.01298	0.3
107.04890	1.0
108.80712	0.2
109.02865	0.3
109.06477	4.7
116.98505	0.5
117.03252	0.5
121.02811	1.5
122.03601	8.2
126.03077	1.2
134.99532	0.3
135.04449	0.4
137.05954	0.5
145.02806	0.4
150.41614	0.3
153.05440	0.4
154.02538	0.5
155.07001	14.2
165.05435	100.0
165.06522	3.8
166.05748	2.1
177.05411	0.3
234.07050	0.2
303.12225	12.4
304.12619	0.3
318.28320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33098	0.6
55.05439	1.6
55.93745	0.6
57.06997	1.4
58.26968	0.6
60.04460	10.8
67.05416	4.2
69.06979	3.1
70.06496	1.8
76.50986	0.6
78.53667	0.6
81.06964	3.4
92.10876	1.5
92.64333	0.6
95.08520	3.3
104.99181	5.7
139.02466	0.8
153.00325	3.3
155.00719	1.3
155.01886	24.8
156.99815	2.7
171.01363	100.0
172.99292	1.8
221.10172	4.5
237.09715	10.6
254.28476	0.8
255.28661	1.2
262.98080	1.5
284.29355	4.9
285.29697	3.7
302.30429	4.6
303.14853	1.3
303.17999	17.8
303.30850	3.9
304.18237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
51.12785	2.7
55.05442	23.3
57.07006	6.5
60.37997	3.1
61.48838	2.8
61.68419	2.9
62.19582	3.3
67.05424	24.4
69.06989	43.1
79.05403	23.4
81.06979	100.0
83.08531	24.7
91.05400	23.3
93.06974	45.9
95.08546	68.5
95.70969	3.3
97.10087	7.2
104.99237	4.6
105.00249	3.6
105.06994	31.3
107.08540	28.5
109.06507	4.4
109.10119	28.5
111.11624	6.8
117.07000	3.9
119.08545	27.9
121.10089	17.4
123.04357	13.6
123.11657	31.5
131.08499	6.0
133.10095	29.2
135.08057	8.5
135.11569	5.7
137.05928	15.4
137.13245	19.0
143.08540	4.2
145.10129	6.8
147.08022	5.0
147.11667	20.2
151.07487	3.7
151.14784	4.3
153.09039	13.8
161.09621	4.1
161.13155	9.2
165.09116	5.4
175.14751	6.8
179.10600	5.5
193.12352	4.3
207.13747	5.5
257.22665	18.8
267.21033	6.7
285.22076	20.0
303.23071	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2529
Annotation	1-myristoyl-glycerol
Peak:m/z	Relative Intensity
53.00245	1.7
55.05454	10.4
57.03374	6.2
57.07017	100.0
58.78133	1.1
67.05434	23.5
69.06992	25.1
71.08550	61.5
72.04444	1.2
75.04438	1.2
81.06976	22.2
83.08546	8.6
85.10107	26.0
93.06985	1.5
95.08537	37.5
97.10119	2.3
104.99229	10.1
108.88453	1.3
109.10118	13.0
111.11691	2.5
118.75796	1.2
123.11694	2.7
175.97330	1.2
183.74408	1.3
211.20596	11.4
262.98160	1.4
285.24197	26.7
302.30664	1.8
303.30646	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	304.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.1
53.25474	0.1
55.01801	0.3
55.05451	2.0
55.99376	0.1
66.04637	0.2
67.05428	0.9
69.06981	0.7
72.04430	0.2
74.94916	0.1
79.05395	0.9
81.03330	0.3
81.06969	1.8
83.04900	0.2
83.08530	1.8
85.05201	0.2
86.05998	0.1
91.05396	0.7
91.66681	0.1
93.06963	0.3
94.04111	3.2
95.04861	0.2
95.08488	0.1
98.05991	0.2
98.28804	0.1
100.99113	0.1
104.99201	0.2
105.06973	0.3
107.04900	0.2
109.06490	0.2
109.10104	1.5
122.03597	10.1
123.11651	0.6
133.10094	1.0
136.02187	0.1
137.05948	100.0
138.06300	0.7
140.65382	0.1
149.09616	0.1
151.11105	0.9
168.13789	0.7
169.98618	0.1
180.13766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2631
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
55.05443	3.9
55.51761	1.1
56.65208	0.9
57.17853	0.9
60.76511	1.0
65.01545	1.2
66.39429	1.0
69.06980	8.4
71.97285	1.1
72.04426	100.0
79.05402	1.4
81.06963	1.4
83.08479	1.3
91.05373	8.5
93.06998	1.2
104.99213	13.0
105.06971	11.2
113.05947	4.8
114.09089	2.5
119.08533	11.9
152.07002	2.0
156.13812	4.2
161.13210	6.3
171.11588	1.5
219.73112	1.3
234.18526	5.3
251.04234	1.1
258.22272	1.3
262.98160	1.5
304.26251	73.6
320.99380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00227	1.0
54.37097	0.9
55.05450	2.1
56.04976	20.5
57.06744	1.0
57.07016	21.5
58.06530	9.1
60.04466	10.0
60.32054	0.8
67.05438	1.8
69.06989	1.9
71.08545	8.9
74.05997	20.7
81.06983	1.0
85.10114	2.4
86.05997	1.4
86.91992	1.0
88.07559	89.9
97.35674	1.0
98.69552	1.0
104.99240	8.5
104.99828	1.1
118.08623	12.2
122.08103	8.9
128.87242	1.0
162.99792	0.9
172.95119	1.1
186.96785	2.0
195.24931	1.0
204.97772	1.6
235.51747	1.0
256.26300	58.5
257.26489	1.4
286.27542	3.2
290.33856	1.0
304.28421	100.0
305.28510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65571	0.8
53.00257	1.2
53.65073	0.8
54.81564	1.1
55.05454	1.2
56.96495	2.6
57.07012	18.8
58.06528	4.9
67.05423	1.1
67.80478	1.0
69.03354	12.1
69.06995	1.6
70.06511	37.4
71.08537	5.6
71.08907	0.9
72.08054	0.9
78.73239	0.9
79.05405	2.2
82.78384	1.1
86.09628	1.4
87.04378	4.0
88.07555	47.2
88.76719	1.0
91.05400	2.4
92.04935	7.5
93.06959	1.4
102.09110	30.3
104.99210	15.5
107.08542	18.0
108.00582	1.2
113.05951	47.9
117.06931	1.5
135.07979	13.2
136.06152	1.9
139.11140	1.1
152.10678	25.3
163.07527	6.3
167.10632	4.8
180.10158	10.6
185.08118	0.9
195.10214	1.1
195.37979	1.3
219.17406	6.1
227.12654	2.3
242.24725	74.2
243.25143	1.3
255.12076	1.2
262.98071	1.6
286.27353	5.6
304.28400	100.0
305.28815	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	0.2
55.05458	0.5
56.96507	0.5
65.03846	0.4
69.03374	0.3
69.06982	0.5
70.06509	0.7
72.08067	1.2
74.02361	0.7
79.05402	0.3
81.06983	0.3
85.02850	0.4
86.09618	0.5
88.03912	1.3
89.03304	0.3
89.03830	1.4
97.02845	0.4
98.97501	0.5
105.90159	0.3
111.04418	0.3
116.04922	33.5
116.98543	0.6
117.05246	0.3
119.04900	0.3
120.08048	0.5
130.06483	0.4
131.95613	0.3
133.02785	0.6
134.04428	1.4
134.05997	2.6
140.25699	0.3
144.04420	100.0
145.04774	1.7
146.05997	2.9
147.04465	0.8
162.05466	0.7
172.03893	77.6
173.04245	1.3
175.16800	0.3
190.04996	0.7
204.10115	0.3
260.13666	0.3
277.16595	0.3
305.07639	2.5
305.15857	0.4
311.19431	0.3
311.67847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	0.4
55.05447	1.0
56.04966	0.6
56.96500	0.5
67.05421	0.5
69.06998	0.5
70.06524	0.4
72.08046	0.7
79.05401	0.5
84.03956	0.6
84.04432	10.0
85.02779	0.5
95.04877	0.4
95.08527	0.4
99.08089	0.4
102.05474	3.6
103.05402	0.7
107.78103	0.4
124.92889	0.4
130.04941	3.7
130.06499	100.0
131.04878	0.9
131.06879	1.5
144.04411	2.8
146.06009	0.8
147.04367	2.4
148.06018	4.6
158.06030	1.9
161.05913	0.4
163.03911	0.5
172.03912	0.5
177.05331	0.4
214.08624	0.5
224.07736	0.6
259.10770	0.5
305.11166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	0.7
56.96492	1.2
57.06985	0.5
57.40720	0.5
60.04423	0.5
67.05400	0.7
69.06980	0.5
77.60435	0.5
79.05379	0.8
81.06957	0.9
85.02813	0.7
88.03918	7.9
91.05373	0.6
102.05482	9.9
112.27534	0.7
116.98541	0.7
117.80756	0.6
119.04881	0.7
124.60405	0.5
130.06490	100.0
131.08427	0.7
134.99626	0.7
140.51634	0.6
144.04439	0.8
146.05994	0.8
147.04393	2.7
148.06041	6.8
151.99464	0.6
154.06468	0.7
167.99759	0.7
182.05994	2.6
199.08614	3.3
287.10013	0.7
305.13297	1.0
312.00308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07509	0.6
53.61835	0.5
56.04980	0.6
62.69790	0.8
67.05411	0.7
69.06979	5.0
81.06969	1.4
86.09621	38.3
91.05400	14.1
92.65426	0.6
93.06956	0.7
95.08536	1.0
105.06972	0.7
107.08542	0.9
109.10098	0.7
118.06472	0.8
119.04889	41.6
128.04897	2.9
130.06473	0.7
132.04375	1.2
132.08032	4.1
137.05949	5.1
138.06259	0.8
145.07605	0.7
146.05980	95.0
147.04382	100.0
148.04758	0.6
154.06490	18.3
155.07304	0.8
159.09140	14.0
164.57193	0.6
168.08057	4.3
174.05496	6.7
191.08054	0.9
211.08669	4.8
228.36440	0.8
241.13139	1.2
259.11871	1.0
259.14377	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	305.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27779	0.4
56.36448	0.4
58.41192	0.5
67.96343	0.4
68.80268	0.6
69.06986	4.8
79.85397	0.5
81.06947	0.7
86.09628	42.7
95.04902	0.6
95.08544	0.9
110.07082	0.5
118.06482	0.7
118.08684	0.5
128.04933	2.9
132.04410	0.8
132.10208	0.6
145.07570	0.6
146.05992	100.0
149.17697	0.5
150.40610	0.5
151.03891	10.3
151.05006	1.0
152.79254	0.6
174.05472	6.7
181.04880	0.9
189.94092	0.6
191.08124	0.9
213.89151	0.5
241.13354	0.6
259.14371	20.3
287.13812	0.9
305.10315	0.9
305.14957	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	305.1492
Annotation	NSC 177499
Peak:m/z	Relative Intensity
51.09275	0.2
53.69402	0.2
54.82090	0.3
55.05459	0.2
56.64511	0.2
61.94320	0.2
67.05415	0.3
69.05189	0.2
69.06985	4.9
70.04609	0.2
81.06964	0.3
81.88356	0.2
86.09627	38.4
91.05388	1.6
91.05885	0.2
93.06960	0.3
95.08533	0.4
106.51016	0.2
117.94753	0.2
118.06476	1.0
119.04890	5.4
128.04895	2.4
132.04393	2.6
132.08046	0.5
145.02806	0.3
145.07574	1.0
146.05984	100.0
147.03206	0.4
147.04391	11.1
147.06302	1.3
154.06503	2.6
158.05995	0.3
159.09140	1.6
168.08075	0.3
173.07051	0.3
174.05461	6.2
191.08134	0.6
211.08603	0.4
213.13890	0.6
241.13322	1.0
259.14365	16.4
282.85132	0.3
287.13724	0.9
305.14847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	8.7
56.01340	1.3
56.96511	1.1
69.06989	1.0
70.06487	1.7
72.08067	38.9
75.92751	0.7
78.19785	0.8
78.72929	0.8
91.05409	1.6
93.06984	1.1
98.06016	1.5
103.05393	11.3
105.06940	1.2
115.05379	7.1
116.04953	3.6
117.06970	1.2
118.06538	1.0
119.04905	1.2
128.04974	1.1
129.03308	10.4
130.06490	16.4
130.07401	1.5
131.04892	30.4
133.06448	1.5
137.05957	6.6
142.06497	4.6
143.04906	8.1
144.04425	18.8
146.03616	1.2
146.06001	4.5
147.04398	4.5
147.06757	1.8
147.07907	1.1
148.05162	1.0
156.04393	1.8
157.02824	50.6
158.03366	1.1
158.05968	46.0
159.04422	1.5
159.06749	3.9
160.05136	4.4
161.05939	90.8
162.06721	4.7
163.07486	9.1
164.07077	1.7
172.03882	6.2
174.05470	13.7
175.03848	8.8
175.06223	5.5
175.07523	7.7
176.04547	1.4
177.05371	1.3
178.08473	1.0
184.03918	4.5
185.02299	59.1
185.04727	1.6
186.05447	46.5
188.07027	1.8
189.05441	33.0
189.07788	1.4
190.08553	13.7
191.06985	2.0
200.07190	1.6
203.05655	14.9
207.06548	6.5
216.06450	5.1
217.04919	61.8
218.08076	100.0
234.05162	1.3
234.07556	38.8
246.04977	1.6
246.07545	48.0
264.08624	15.7
270.87729	1.0
288.12244	95.3
289.12613	3.5
305.14905	83.0
306.15143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
55.05441	17.9
57.07016	13.0
67.05419	21.9
69.06988	38.5
79.05410	16.0
81.06974	82.0
81.60984	3.0
83.08534	6.1
91.05387	8.3
93.06989	35.8
95.08540	100.0
95.09147	4.3
97.10100	6.8
105.06977	19.7
107.08534	49.3
107.65045	3.9
109.10116	56.7
111.11662	5.1
114.45373	3.3
119.08530	19.7
121.10083	35.7
122.03593	7.5
123.11654	22.2
133.10086	24.2
135.11699	24.8
137.04996	6.1
137.05960	89.1
137.13245	6.0
139.07657	4.5
145.10150	3.7
147.11674	19.3
149.13235	15.6
161.13268	18.3
163.14778	15.1
172.17316	3.7
175.14867	7.4
176.31209	3.5
177.16333	5.3
189.16258	4.0
203.17989	5.6
208.66737	3.6
221.19804	3.4
236.36151	3.6
246.31346	3.6
259.24252	27.3
269.22751	5.4
287.23669	14.1
305.24646	23.1
312.19592	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	306.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66773	0.2
57.07013	7.6
58.02882	0.4
61.09304	0.3
67.05423	0.4
69.06976	2.0
71.08555	0.3
79.05402	0.6
81.06967	1.2
84.39573	0.3
88.07553	0.7
91.05411	0.3
92.10312	0.8
93.06995	0.6
94.04116	2.8
100.07510	0.3
105.06997	0.3
107.04897	8.4
107.08508	0.3
109.06445	0.4
109.10085	0.7
111.43386	0.3
122.03607	9.2
135.11613	0.6
136.23361	0.3
137.05959	100.0
138.06308	2.3
146.72594	0.3
153.12727	0.4
153.30653	0.3
163.11142	2.8
170.15497	0.3
182.15404	1.3
194.11742	12.9
212.99977	0.3
219.17471	0.5
250.17970	9.0
250.69360	0.4
295.43323	0.3
306.24088	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	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63140	0.5
55.05427	0.6
57.07009	10.7
58.15906	0.7
60.73450	0.6
69.06980	0.6
70.06507	24.6
71.08540	4.6
75.82716	0.6
81.46429	0.7
82.20299	0.6
84.08063	2.5
85.05209	0.7
86.09605	1.1
88.07551	23.2
93.10696	0.6
95.08564	0.7
95.60662	0.6
102.09107	3.7
106.08639	0.8
114.09117	14.1
118.08622	1.6
132.10161	41.2
137.05951	6.8
147.04393	0.7
158.58656	0.9
176.12767	6.5
186.18527	4.3
194.13789	9.3
200.20036	9.1
216.19492	0.7
218.21109	6.0
244.22597	0.7
262.23730	3.6
264.80951	0.7
306.26324	100.0
307.26871	1.2
326.73236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04676	0.2
55.05447	1.3
56.04974	8.5
57.06735	0.4
57.07012	8.7
58.06534	11.4
60.04457	3.6
66.07051	0.3
68.04938	0.5
70.06507	1.7
71.08546	2.2
72.08073	5.2
74.05986	8.0
75.04385	0.4
85.10094	1.9
86.05988	7.1
87.04425	0.4
88.07555	69.8
89.05948	0.7
89.07926	0.3
100.07544	2.1
102.09135	1.2
104.07043	5.4
118.08603	2.2
122.03561	0.5
129.63457	0.3
132.10167	18.3
137.05952	6.8
162.11227	3.9
166.10713	3.6
182.18945	0.4
184.20544	0.5
198.22215	0.6
200.20148	0.7
201.00806	0.4
207.01961	0.3
214.21626	60.6
226.21646	1.8
258.24225	19.6
261.03049	1.5
288.25351	2.4
306.26331	100.0
307.26608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.4
56.04971	0.5
57.06739	0.6
57.07009	14.1
58.06527	3.2
68.04930	0.4
69.06953	0.5
69.40040	0.4
70.06504	44.2
71.08198	0.3
71.08546	7.7
72.08060	5.0
74.03713	0.3
81.18570	0.4
84.08061	3.3
86.09624	5.8
88.07549	24.3
89.05930	0.5
92.10196	1.0
96.60817	0.3
102.09116	12.7
102.09794	0.4
114.09098	1.3
130.06448	2.8
132.10165	14.0
132.54538	0.4
137.05936	0.5
138.97354	0.4
146.11731	13.1
156.17427	5.4
160.61617	0.4
182.19003	1.5
200.20049	40.5
201.20410	0.5
209.81566	0.4
220.80917	0.4
244.22649	62.2
245.23108	0.5
269.82935	0.5
288.25223	2.8
306.26303	100.0
307.26627	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	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	6.3
55.20629	0.5
57.07001	4.2
63.43925	0.5
65.03867	0.6
67.05428	20.9
69.06980	4.3
69.67255	0.6
69.89632	0.6
71.08539	2.6
72.04433	35.3
72.08063	1.0
79.05410	5.3
81.06977	17.2
83.08536	1.3
88.51664	0.6
89.05980	5.4
90.36078	0.5
91.05390	1.5
92.91070	0.7
93.06974	4.6
94.04133	2.9
95.04887	0.8
95.08526	12.3
95.46848	0.6
98.06007	0.7
100.07547	1.3
105.06963	0.8
107.07027	5.9
107.08533	1.2
109.10114	5.1
114.09108	3.3
114.18373	0.6
121.10070	0.9
122.03591	9.1
123.11688	0.9
128.10648	0.9
133.10139	0.9
135.11621	1.3
137.05957	100.0
138.06345	1.1
142.12239	1.3
156.13760	1.1
170.15439	0.8
181.64104	0.6
182.15443	0.9
306.27786	7.1
327.75330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.2
55.05456	11.9
57.07008	2.3
65.03855	1.1
67.05433	50.1
69.06995	9.9
69.54809	0.9
71.08534	1.3
72.04434	100.0
79.05412	7.6
81.06979	40.4
83.08530	1.7
89.05966	1.6
91.05401	1.6
93.06982	9.4
95.08536	28.5
99.11649	1.0
100.07552	4.2
105.06968	1.2
106.68683	1.1
107.06978	1.4
107.08540	4.8
109.10104	10.9
114.09113	8.1
115.50954	1.0
121.10079	2.3
122.03603	6.1
123.11668	1.6
128.10704	4.0
129.72023	1.0
131.73146	1.2
135.11688	4.4
136.18181	1.2
137.05963	88.1
142.12247	4.2
156.13782	1.7
170.15366	2.2
182.15372	1.3
184.16939	1.8
198.18451	1.5
212.20087	1.3
306.27905	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	307.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42967	0.2
52.04725	0.2
54.93462	0.2
55.05442	0.3
57.13927	0.2
63.79284	0.2
67.37346	0.2
69.06975	0.2
70.02869	5.9
71.04881	0.2
73.02803	0.2
74.02339	1.2
76.02144	0.3
81.03342	0.2
84.04401	0.3
85.02828	0.3
88.03924	3.8
91.05381	0.4
97.02736	0.2
99.04354	0.2
116.03392	0.4
118.06483	1.5
127.03841	0.2
128.04906	3.3
130.06497	0.4
132.04410	2.3
134.04457	1.1
137.05948	0.9
146.05980	100.0
147.06326	1.2
162.05466	0.4
164.33636	0.2
174.03960	0.3
174.05472	6.9
174.06807	0.2
177.05453	0.3
192.06529	0.9
243.07658	0.3
261.08701	2.3
289.08115	1.3
307.09213	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07230	0.2
53.03893	0.2
54.53772	0.2
55.05451	0.3
56.96489	0.2
57.03366	0.2
58.75628	0.2
60.42146	0.2
61.02843	0.2
63.00952	0.1
63.28624	0.2
64.85889	0.2
65.30711	0.1
69.03353	0.3
70.02872	7.0
71.04911	0.2
73.02833	0.3
74.02338	0.9
81.03339	1.5
81.06989	0.2
85.02823	1.9
86.09608	0.2
88.03911	3.4
91.05387	0.6
93.06942	0.3
97.02814	0.4
98.97521	0.4
99.04389	1.3
103.03869	1.1
109.02827	3.0
116.03416	0.3
116.76208	0.2
116.98555	0.3
118.06467	1.1
119.04872	0.5
127.03869	2.5
128.04913	3.8
130.06494	0.9
132.04378	2.1
134.04443	1.1
134.99561	0.3
137.05986	0.7
145.04884	0.4
146.05988	100.0
147.04398	1.8
147.06335	1.2
157.07541	0.4
158.05942	0.7
161.05997	0.2
161.57065	0.2
161.95689	0.2
162.05423	0.3
163.05864	0.3
169.04791	0.2
174.05472	6.8
175.08672	0.2
192.06494	0.9
198.02936	0.2
204.10098	0.2
226.73201	0.2
261.08594	2.1
278.33594	0.2
289.08087	1.1
307.09125	1.5
307.16229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1438
Annotation	N-Cinnamoyl Serotonin
Peak:m/z	Relative Intensity
63.92936	0.5
65.03862	0.6
91.04896	0.9
91.05402	13.9
92.10265	1.7
98.38189	0.6
102.87198	0.5
105.10973	0.5
117.06956	0.6
119.04894	37.6
143.07272	0.6
144.08064	18.5
147.04391	100.0
152.94958	0.7
170.08296	0.6
253.34528	0.6
293.53729	0.5
295.80109	0.5
307.14575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	0.3
56.96497	0.3
63.02306	0.3
67.14178	0.2
69.03336	0.3
71.87888	0.2
72.04405	0.5
72.08071	5.5
76.02135	0.6
78.04632	0.4
81.03349	0.4
85.02795	1.1
86.98929	0.2
89.03841	8.6
91.05396	0.6
93.06950	0.4
97.02831	0.3
99.04382	0.5
103.03874	0.5
103.05371	0.3
109.02846	0.4
114.08328	0.3
114.09114	7.9
115.08619	1.1
116.98575	0.4
117.03329	39.2
119.04910	0.4
124.05183	0.5
127.03860	1.0
130.06477	0.4
131.11771	9.7
134.03600	2.5
135.04404	2.9
137.05946	0.6
145.02824	100.0
146.03145	1.0
146.05981	2.9
147.04372	0.5
149.05952	15.3
157.09692	1.6
158.05984	0.4
162.03287	0.3
162.05475	10.1
163.03857	1.5
175.08597	0.3
177.05435	96.5
178.05731	0.4
186.03062	0.3
186.05475	1.2
190.04939	0.4
220.92972	0.3
261.12247	1.6
307.16443	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	307.1651
Annotation	Metacytofilin
Peak:m/z	Relative Intensity
55.24875	0.5
56.96512	0.4
58.06532	43.6
71.04892	1.0
76.02135	1.3
81.03306	0.9
84.04414	3.6
84.08065	24.2
85.13640	0.5
87.73241	0.5
91.05386	0.5
98.09602	3.0
99.10374	0.8
106.61844	0.6
107.04900	2.0
116.10648	2.5
128.10683	2.8
130.04987	0.8
136.07570	2.3
141.99890	0.5
144.10135	0.8
174.05490	0.7
175.06166	0.8
185.09134	1.1
188.07025	2.8
188.10605	1.2
215.81273	0.5
216.10205	9.0
261.15924	54.4
262.16241	0.6
307.16449	100.0
308.16809	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	307.1762
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
54.81578	0.3
55.05431	0.5
56.96492	0.4
60.05577	2.3
64.33160	0.3
67.05385	0.3
69.03352	0.3
70.06502	0.4
72.06604	0.2
72.08060	5.8
72.98157	0.2
76.02151	0.3
84.04411	0.6
85.02815	0.4
89.03838	3.4
91.05396	0.4
96.94535	0.3
97.02828	0.3
97.07603	1.9
98.05960	0.3
114.10246	10.2
115.08643	1.8
117.03320	15.4
119.04891	0.9
130.05034	0.3
130.06509	0.4
131.12871	3.3
134.03583	1.1
135.04367	1.5
137.05960	1.3
145.02815	73.2
146.03125	0.4
146.05988	0.4
147.04381	3.0
149.05949	6.4
162.03093	0.3
163.03873	0.5
177.05423	100.0
178.05754	0.3
186.05396	0.4
195.22131	0.3
197.09969	0.3
225.42616	0.3
247.14372	2.4
248.12715	2.4
265.15591	0.3
290.14828	3.2
307.17572	37.2
308.17841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1901
Annotation	Corrin
Peak:m/z	Relative Intensity
51.99682	6.9
53.99680	9.0
55.05450	77.7
56.96499	38.8
57.03374	68.3
67.05427	56.7
69.06975	17.0
71.01255	7.9
79.05406	71.7
81.06975	18.4
83.08530	13.6
86.09627	13.8
90.92996	11.2
91.05398	59.6
93.06967	19.1
97.10101	37.3
97.96819	8.5
102.85967	9.1
104.10699	10.2
105.06985	17.1
107.04917	19.9
107.08547	43.0
117.06960	11.5
119.01864	9.7
119.08524	15.2
135.08015	17.1
137.05923	40.9
138.35681	10.3
138.52863	11.5
138.77780	8.9
159.08046	23.2
166.66945	12.1
177.00806	12.9
184.07257	12.6
198.96689	11.0
201.40424	9.5
219.01947	23.1
261.02960	100.0
271.16849	20.8
289.17960	74.4
307.18900	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	307.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02877	0.6
59.12778	0.4
64.33560	0.4
67.05423	0.4
69.06982	1.1
75.56601	0.4
90.93929	0.4
91.05443	0.4
92.05656	0.5
92.64330	0.4
94.04113	3.7
95.04445	1.0
95.10466	0.5
96.54877	0.4
96.89092	0.4
107.08558	0.6
109.10108	0.6
121.02605	0.4
122.03601	10.9
123.03941	4.8
135.11670	0.7
136.11980	0.5
137.05952	100.0
138.06290	63.8
139.06430	0.5
175.00935	0.4
182.15411	0.6
183.15800	0.5
230.83708	0.5
291.09659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0908
Annotation	Glutathione
Peak:m/z	Relative Intensity
54.81269	0.6
56.04977	3.6
56.96498	0.8
58.99525	20.7
59.44382	0.4
64.32777	0.5
65.40253	0.5
70.06519	10.5
73.01019	0.8
76.02144	100.0
76.03909	4.7
80.04916	1.4
80.23587	0.5
83.06015	0.8
83.24715	0.5
84.04430	58.2
86.98982	7.7
88.02158	2.8
89.46175	0.5
102.05476	0.9
111.00173	0.6
114.03712	1.2
116.01633	26.7
116.02437	1.3
116.07032	12.1
130.04950	10.2
130.05836	0.7
141.04756	0.6
142.03204	13.1
144.01135	10.2
162.02164	23.4
165.75232	0.6
170.02686	1.4
179.04813	22.6
181.04309	0.6
187.05331	1.2
225.22737	0.6
233.05865	8.0
245.05850	0.9
291.06323	0.9
308.09015	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	308.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81797	0.6
54.82049	0.5
56.04970	2.7
58.06525	3.0
58.99518	18.5
60.93515	0.5
64.05222	0.5
66.26318	0.5
70.06518	0.7
76.02138	100.0
76.03907	2.9
80.04947	2.0
83.06028	0.6
84.04424	52.1
84.08059	1.2
86.98983	5.2
88.02127	1.2
92.75677	0.5
98.00598	0.6
102.05474	1.2
113.37350	0.5
114.03693	2.4
116.01614	25.5
130.04962	8.9
141.04819	0.7
142.03197	11.5
144.01096	8.4
148.80090	0.5
162.02161	21.9
162.03461	0.9
170.02699	2.2
179.04803	19.3
185.81693	0.6
187.05368	2.6
215.04776	1.3
218.50026	0.7
233.05815	5.9
245.05934	1.2
261.15958	1.2
262.16180	0.9
291.06436	1.9
307.16418	3.7
308.09009	6.0
308.16898	3.5
317.17737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92824	0.6
56.96483	0.9
58.99520	0.7
67.05447	0.8
71.11137	0.6
76.02151	6.8
79.05397	0.8
80.37694	0.7
81.06959	1.1
84.04427	3.9
86.09658	0.9
89.03844	10.7
91.05376	0.9
92.10279	1.4
95.04906	1.0
103.05405	1.1
106.04065	0.9
112.88287	1.1
116.01639	0.9
117.03331	50.4
119.04867	0.9
130.05013	1.0
130.06467	1.8
134.03600	4.0
135.04372	4.9
145.02824	94.2
146.03169	1.3
149.05966	15.3
162.02107	1.5
177.05437	100.0
178.05754	1.0
186.05479	2.7
212.69302	0.7
270.00787	0.7
318.79745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46820	0.2
50.67077	0.2
51.62445	0.2
52.43627	0.2
54.41467	0.2
55.05445	1.3
55.87988	0.2
63.02320	0.2
71.01019	0.2
72.08067	0.4
75.49625	0.2
76.02137	0.5
78.04638	0.3
84.04449	0.3
85.02821	0.4
85.06579	0.2
89.03831	6.1
91.05399	1.0
98.06008	1.7
106.23116	0.2
112.98388	0.2
115.08621	2.4
117.03328	24.9
121.06437	0.3
124.05367	0.3
132.11311	1.1
134.03607	1.7
135.04376	2.7
136.05043	0.3
145.02821	80.1
146.03125	0.5
147.04294	0.3
149.05951	9.0
163.03885	1.5
177.05431	100.0
178.05820	1.0
186.05493	0.5
230.54729	0.3
291.13330	17.6
292.13681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75807	0.2
54.81513	0.2
55.05465	0.3
55.49376	0.2
56.96507	0.3
58.06535	2.3
58.99520	0.3
59.54088	0.2
61.23498	0.2
69.03346	0.4
72.08069	53.7
75.09156	2.7
76.02134	2.6
79.05419	0.3
84.04429	1.5
84.08064	2.4
89.03837	3.1
91.05386	0.5
97.02820	0.3
107.04901	1.3
112.11189	4.6
116.01607	0.4
117.03320	6.7
119.04901	1.5
129.13849	2.8
130.06482	1.3
135.04376	11.7
135.05374	0.5
136.06129	0.3
141.94864	0.3
145.02824	17.1
146.06007	0.3
146.16571	0.4
147.04405	2.2
149.05984	1.4
155.11754	0.4
162.02144	0.4
162.05499	0.4
163.03867	100.0
164.04271	0.9
177.03918	0.3
177.05432	7.9
179.04950	0.3
217.48447	0.3
219.11162	0.4
220.09645	50.0
221.10077	0.6
237.12283	3.1
262.08676	0.3
291.06195	0.3
291.16962	9.7
298.81830	0.3
308.19623	23.0
309.19839	0.4
329.27255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23171	1.5
56.96239	2.7
56.96502	50.9
58.06551	1.6
58.99519	3.6
66.29517	1.6
67.05414	3.7
68.26288	1.6
69.03331	2.6
70.06496	2.9
71.04893	2.4
71.96064	1.6
72.08070	53.5
73.02819	2.0
74.73554	1.7
75.09144	2.6
76.02145	29.0
79.05434	2.4
81.03326	2.1
84.04436	22.5
85.02831	2.6
86.09609	2.1
89.03828	4.0
90.00603	1.9
91.05392	12.9
92.10269	2.1
93.06977	3.8
97.02836	23.4
98.97528	3.2
105.06957	4.3
112.11149	2.7
116.01592	8.5
116.98576	4.5
117.03339	18.2
119.04872	11.7
119.08557	2.5
130.04976	2.8
130.06523	4.6
130.34192	1.9
133.10112	3.3
134.99654	4.2
135.04405	15.2
142.03194	3.3
145.02820	35.0
146.06030	18.5
147.04407	21.2
147.06300	12.1
155.03734	2.3
161.71851	1.9
162.02129	7.2
162.05461	23.9
163.03874	100.0
177.05396	27.7
179.04877	3.8
203.07422	2.5
220.02773	20.6
220.09645	45.3
222.04318	9.1
223.10101	3.1
233.36115	2.1
237.08023	2.2
237.12238	2.4
238.03828	28.5
240.05331	10.4
248.02220	11.0
249.07951	4.2
266.03281	36.0
267.08929	26.5
267.20309	2.5
279.72345	2.6
282.27942	2.0
285.10037	49.5
291.17035	10.1
303.11005	7.6
308.19577	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	308.2582
Annotation	Fingolimod
Peak:m/z	Relative Intensity
50.08339	2.4
50.13745	2.2
55.05448	23.5
57.03364	3.1
58.30490	2.7
67.05425	12.9
69.06998	18.2
71.04906	23.1
71.08533	3.6
72.04438	81.4
73.11962	2.3
79.05409	12.3
81.06976	23.7
83.08531	2.8
85.06463	3.0
91.05396	5.9
92.10900	3.6
93.06966	20.3
95.04891	3.7
95.08540	28.2
99.08038	2.7
105.06990	6.0
107.08538	5.8
109.06450	3.9
109.10119	11.0
111.92262	2.7
114.09143	4.8
119.08498	3.2
121.10091	4.5
123.08088	3.2
124.60902	2.6
125.09612	3.8
128.10675	3.5
135.11662	4.1
137.09576	31.0
151.11223	3.9
165.12737	5.3
182.15439	3.5
238.21635	18.7
249.11440	2.6
263.17526	2.6
263.20047	17.4
281.37866	2.5
291.23071	22.7
308.22403	3.8
308.25815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	2.3
55.05194	3.1
55.05451	78.5
57.07008	14.3
67.05428	24.3
69.06989	75.7
71.08534	7.7
72.04430	100.0
79.05402	9.2
81.06982	32.7
83.08537	28.8
85.10120	2.0
91.05396	6.8
93.06969	7.6
95.08537	31.3
97.06449	1.7
97.10083	15.1
99.07977	1.9
100.07529	3.3
104.22971	1.6
105.06951	8.0
107.08515	7.6
109.06475	1.7
109.10106	12.0
111.08073	2.4
114.09122	16.4
117.01207	1.5
119.08534	4.0
121.10098	3.9
123.11655	6.5
125.86028	1.8
128.10664	7.6
133.10100	3.7
137.09537	1.8
142.12273	7.0
147.11641	2.6
147.76656	1.5
156.13852	3.1
168.13895	1.6
182.15393	2.2
212.20062	2.0
240.34851	1.8
245.22678	3.6
272.70337	1.6
308.29428	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44818	1.0
53.58894	0.9
55.05457	14.4
59.87037	1.2
67.05421	6.9
69.06989	13.5
72.04430	100.0
77.27759	1.3
81.06985	9.2
81.67712	1.4
83.08549	3.1
91.05386	1.3
93.06951	1.7
95.08546	7.5
97.10100	1.7
100.07536	1.3
100.81314	1.2
109.10117	3.1
114.09118	7.4
115.47623	1.3
128.10657	2.7
138.15166	1.5
142.12277	3.2
224.63487	1.3
308.29449	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98352	0.8
55.05452	18.8
57.07010	1.2
63.20473	0.8
67.05425	8.1
69.06991	18.0
70.48753	0.9
72.04432	100.0
73.04744	1.0
79.05404	1.6
81.06986	8.9
83.08527	4.7
84.49480	0.8
85.18789	0.8
91.05404	1.0
95.08555	7.8
95.57469	0.8
97.10103	1.3
100.07549	4.5
107.08475	0.9
109.10088	1.8
114.09113	8.1
128.10643	6.1
140.90790	1.0
142.12286	3.9
156.13817	3.7
174.99419	0.9
184.17038	1.1
210.10942	1.0
215.30812	1.0
236.12529	0.9
308.29401	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	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77456	0.5
53.03885	2.3
55.01806	1.1
55.05442	0.4
56.96502	0.6
57.03361	0.7
65.03852	1.1
67.05425	0.6
69.03345	6.9
69.06960	0.5
70.06502	1.1
72.08064	0.6
72.70210	0.4
73.02839	0.9
76.02135	1.2
81.03339	9.6
81.03801	0.8
84.04424	1.1
84.08059	0.9
85.02838	4.7
89.03822	0.7
91.05408	16.7
95.04871	0.7
95.08542	0.7
97.02831	8.4
98.97504	0.9
99.04378	2.9
99.77589	0.4
105.06945	0.5
109.02823	2.4
115.59046	0.5
116.98556	1.1
117.03370	1.8
119.04897	41.1
120.08038	0.6
122.88974	0.5
127.03834	4.1
134.99643	0.7
135.04395	0.6
138.10207	0.5
145.02856	3.5
146.05978	5.8
147.04393	100.0
147.06322	7.2
148.04692	1.1
163.03864	0.6
165.05449	1.0
171.73787	0.6
172.15126	0.6
177.00652	0.7
177.05370	4.0
208.02832	1.1
221.95717	0.6
291.08600	3.2
306.94202	0.6
309.09604	1.3
309.12967	0.7
309.27145	0.5
316.14746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05421	0.4
61.04866	0.3
65.03857	0.5
70.06498	2.0
72.08070	10.8
76.02139	0.6
84.04425	0.4
85.02824	0.6
89.03834	2.1
89.10706	3.2
91.05416	8.1
94.95552	0.3
95.04855	0.5
97.02828	0.7
98.06005	0.7
103.05401	0.5
107.01212	0.5
107.04890	1.4
109.89542	0.4
115.08627	0.5
116.07056	0.4
116.98534	0.6
117.03318	12.4
119.04889	16.1
120.08076	0.5
127.03831	0.4
132.02039	2.0
133.09688	0.4
134.03575	0.4
135.04382	2.0
140.36179	0.3
143.01265	0.6
144.02022	1.5
145.02827	30.9
146.05988	2.5
147.04387	42.2
147.06325	2.2
148.04852	0.4
148.06511	0.5
149.05942	3.7
159.04350	2.0
160.01463	0.6
162.03014	0.5
163.03859	1.8
173.63669	0.3
175.03865	13.5
177.05429	30.9
178.02518	3.0
189.01779	1.6
193.04997	0.6
201.14711	0.4
203.03366	7.8
221.04410	100.0
222.04781	1.5
237.14886	0.4
268.85266	0.4
273.29031	0.4
274.10571	3.0
291.13300	1.6
292.11670	4.3
309.14395	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	309.154
Annotation	NSC-224070
Peak:m/z	Relative Intensity
51.13740	0.6
53.03880	3.7
53.93329	0.6
55.01807	4.3
55.05446	13.8
57.03371	10.2
59.04937	1.5
61.02854	15.7
65.92873	0.8
69.03345	26.7
69.06992	1.2
70.06505	1.3
71.04912	2.1
73.02824	5.9
74.15811	0.7
74.67950	0.9
81.03334	10.5
83.08539	25.9
85.02824	100.0
87.04385	1.5
89.03845	1.5
91.03888	4.3
91.05394	6.3
97.02818	26.8
99.04391	4.7
101.09568	7.7
109.02837	7.9
117.03368	7.4
118.03662	1.4
119.04881	5.3
127.03866	15.2
140.81711	0.8
145.02838	14.3
145.04921	15.4
146.03159	4.7
146.06012	3.7
147.04344	7.3
149.05968	3.1
175.43202	1.1
177.05431	16.4
178.05791	5.9
208.81195	1.0
228.30725	0.9
292.13464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	3.0
57.03368	0.5
57.06998	1.0
67.05417	3.5
69.06983	3.5
71.08542	11.9
79.05399	3.4
81.03329	8.0
81.06972	5.4
83.04893	0.8
87.05783	0.6
91.05399	3.3
93.06953	4.0
95.04902	4.2
95.08524	3.8
97.10089	0.8
98.98402	1.3
99.08021	3.3
105.06969	4.0
106.89719	0.8
107.04903	1.0
107.08520	1.2
109.02790	1.4
109.06451	0.7
109.10094	1.2
116.77017	0.7
119.08540	2.7
121.06425	0.9
121.10113	1.6
123.04379	18.0
131.08572	1.3
145.90669	0.7
147.08064	0.7
147.11697	0.8
148.87003	0.7
151.07521	5.9
157.10103	0.9
161.13089	0.7
164.94505	0.6
179.10632	0.9
193.12204	100.0
247.28755	0.7
291.19421	3.5
291.22763	0.9
313.26703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.61808	1.8
53.03880	26.2
55.01803	10.1
55.04527	2.0
55.05447	15.9
57.03358	4.7
66.62224	2.1
67.05423	47.7
69.03334	2.4
69.06974	7.7
71.04899	14.5
79.05399	49.2
81.03332	51.9
81.06508	3.5
81.06973	100.0
83.04911	9.2
83.08547	2.9
91.05414	22.4
93.06969	34.5
95.04878	23.4
95.08530	29.7
97.06461	4.1
97.93110	1.8
105.06953	16.4
107.04905	12.4
107.08534	10.8
109.06463	39.5
109.10071	4.4
111.04388	2.9
117.06946	16.0
119.01848	2.0
119.08527	8.4
121.06439	8.4
121.10104	10.4
123.07948	16.7
123.87799	2.2
129.06995	2.9
131.08556	11.6
133.06453	2.8
133.10088	5.0
134.99696	2.4
135.08020	9.4
135.11613	8.4
145.02776	2.3
145.06441	4.3
145.10078	3.6
147.04453	2.7
147.08031	2.7
149.13255	2.4
159.11676	11.4
169.10062	2.4
177.12718	4.4
196.27003	2.0
196.67772	2.1
221.01715	2.7
241.14394	3.0
263.02933	2.7
273.18546	9.0
291.19467	40.2
309.20551	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	309.2057
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.82048	2.9
53.03897	6.1
54.22623	3.4
55.01812	19.0
55.05451	38.2
56.47214	3.2
56.96490	3.7
57.03371	92.4
57.07020	3.2
58.04756	3.4
58.71721	3.1
67.05423	57.3
67.10288	3.8
69.03346	5.8
69.06985	19.5
71.04893	17.6
79.05408	80.2
81.03313	8.5
81.06975	100.0
81.62653	3.4
83.04904	17.2
83.08533	9.4
85.06467	22.8
91.05398	73.8
92.64169	4.6
93.06451	3.8
93.06983	68.2
93.53014	3.4
95.04901	34.1
95.08556	33.5
97.02816	6.6
97.06458	45.8
97.10084	4.2
99.08027	88.4
105.06966	49.9
107.04895	23.1
107.08579	28.7
109.06485	35.2
109.10114	17.6
115.90525	3.8
117.06953	18.6
119.04891	14.3
119.08531	33.5
121.06465	19.1
121.10102	21.6
123.08015	14.8
125.09570	5.4
127.07520	14.6
129.06921	6.5
131.08533	37.2
133.10097	24.4
135.07994	18.9
135.11615	4.5
137.09610	5.3
141.76991	4.0
143.08572	5.4
145.02814	6.9
145.10097	21.0
147.04366	7.4
147.08031	17.3
147.11630	6.2
149.09569	9.1
157.10081	8.5
159.11636	15.2
161.09595	6.4
171.11732	4.7
173.13242	4.5
175.11078	5.3
177.05345	4.9
217.15826	7.9
255.17329	6.5
263.20050	6.6
273.18369	26.9
291.19501	55.9
309.20566	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.19016	2.2
53.03879	6.4
55.01822	24.2
55.05455	100.0
56.31420	2.1
56.96496	2.3
57.03375	77.9
59.04922	3.8
67.05431	60.3
67.81268	2.3
69.03341	4.8
69.06982	17.0
71.04900	4.2
71.08513	2.4
79.05415	74.9
81.03349	5.9
81.06981	85.9
83.04896	15.2
83.08549	33.4
85.06467	10.9
86.93014	3.2
91.05411	69.3
93.03290	4.0
93.06989	51.3
95.04902	25.1
95.08525	22.5
97.06500	5.9
97.10098	31.3
99.08001	11.9
100.07555	2.9
100.11203	5.9
105.06973	36.3
107.04910	47.0
107.08530	29.6
109.06479	32.9
109.10110	13.0
110.71027	2.9
111.04352	5.0
111.08087	4.5
115.05428	3.2
116.98585	2.4
117.06983	40.3
119.08537	66.1
121.06493	23.0
121.10101	13.5
123.04391	3.1
123.07999	19.7
125.09583	18.1
125.88289	2.7
128.06206	5.5
129.06967	14.0
130.07648	2.9
131.08549	21.4
133.06496	5.3
133.10063	4.9
135.08011	20.0
137.09535	3.9
143.08517	11.4
145.02797	4.1
145.10091	22.4
147.04413	3.7
147.08047	30.3
149.09604	10.3
151.07545	2.8
151.11205	3.3
153.09000	2.8
157.10156	9.7
159.08012	3.4
159.11652	4.5
161.09566	10.1
165.09105	19.3
171.11633	4.9
182.15353	33.9
189.11205	10.3
193.12268	4.5
210.14854	13.6
219.13817	12.7
227.17873	4.1
235.40779	3.4
237.14713	3.1
255.17482	3.7
268.82880	4.6
273.18472	41.5
291.19531	85.2
309.13135	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	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03890	3.4
55.01805	15.5
55.05460	32.9
57.03373	90.7
57.07010	3.2
59.04925	7.3
59.12347	3.0
62.35244	2.8
65.03857	3.0
67.05433	48.7
69.03331	4.9
69.06980	14.9
71.04903	16.8
74.91189	2.5
75.39641	2.8
79.05401	61.6
81.03326	5.1
81.06978	74.3
83.04895	11.6
83.08552	5.4
84.04441	3.9
85.06479	26.8
91.05419	54.1
93.06978	48.8
95.04911	27.6
95.08546	25.2
97.02794	6.0
97.06479	25.7
97.10099	3.2
99.04380	3.2
99.07452	5.5
99.08037	100.0
105.06972	38.6
107.04892	25.4
107.08521	24.1
109.06448	13.4
109.10126	11.1
111.07997	3.3
117.07001	27.9
119.04887	17.0
119.08519	21.4
121.06464	14.8
121.10090	17.9
123.08009	5.1
124.89721	3.2
127.07507	17.9
129.06935	12.2
131.08546	27.5
133.10095	17.4
135.07953	11.2
135.11696	4.6
143.08588	4.6
145.02808	14.4
145.10091	13.1
147.04375	31.9
147.08008	6.1
147.11584	5.3
148.29875	3.6
149.09569	6.4
151.11169	3.1
157.10052	7.2
161.09541	4.1
163.11148	5.2
173.13184	4.8
175.11211	6.0
177.05457	6.1
197.74139	3.1
201.12607	4.3
255.17479	4.5
273.18454	28.0
291.19412	52.3
309.16907	4.6
309.20261	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03882	4.5
55.01812	9.0
55.05456	41.2
55.35959	2.0
57.07007	5.4
65.03867	1.9
65.22472	1.8
67.05426	65.2
69.06984	27.5
71.04911	8.7
71.08533	2.0
79.00352	2.1
79.05412	57.3
81.06979	59.6
83.04888	4.0
83.08528	17.0
85.06451	3.7
91.05412	29.6
92.31850	2.3
92.63290	2.5
93.06968	72.4
95.04888	12.2
95.08531	29.9
97.06461	69.6
97.10091	4.8
105.06985	23.6
107.08530	32.8
109.06458	15.3
109.10115	10.6
111.08029	33.7
114.35014	2.2
117.06991	3.3
119.08530	12.9
119.18881	2.3
121.10091	14.3
121.15522	2.3
123.07997	8.4
123.11684	2.9
129.06943	4.0
131.08525	3.4
133.10063	4.4
135.11647	3.7
137.09552	2.7
138.52890	4.9
147.11668	4.8
149.13251	3.9
151.11238	2.4
161.13239	4.2
161.73445	2.3
162.05069	2.3
165.12813	3.0
167.14307	20.2
169.12256	3.2
171.11667	2.6
179.14240	3.8
207.13826	3.3
239.16339	4.3
277.21585	22.5
278.40881	2.4
291.19608	3.4
309.13013	4.8
309.20587	7.8
309.24158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.01806	12.4
55.05453	75.0
56.15164	6.7
56.96492	7.0
57.07001	29.1
64.69176	5.9
67.05429	100.0
69.06982	38.6
71.04920	6.6
71.08559	68.7
79.05402	86.2
81.03327	13.5
81.06993	88.5
83.04874	13.3
83.08529	26.5
85.06439	8.4
91.05395	53.6
93.06973	77.7
95.04881	33.1
95.08527	56.8
97.06459	12.4
97.10102	28.2
99.08015	29.8
99.11753	5.9
105.04395	6.8
105.06978	45.7
107.04890	10.8
107.08524	45.3
109.10110	29.8
111.08040	10.8
113.09575	11.1
117.06953	13.3
119.08527	28.1
121.06453	11.8
121.10098	15.5
123.08016	36.5
125.09573	31.0
129.06937	10.7
131.08563	7.3
134.99663	10.5
135.11681	14.9
137.09586	9.9
145.10150	11.5
147.04337	7.2
149.09618	12.6
149.13278	10.2
151.11136	29.5
161.13345	8.7
163.11113	9.6
165.09056	7.3
167.10594	7.0
182.96867	7.8
183.11513	6.8
201.11369	7.9
259.20450	8.9
263.03082	10.8
277.21460	31.9
291.19525	13.5
309.12894	12.4
309.20502	11.6
309.23944	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	309.242
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.22491	3.5
51.42472	3.7
53.03889	4.3
53.44523	4.0
55.01803	6.6
55.05453	66.7
57.03368	19.7
57.07025	6.4
67.05421	88.0
69.06979	49.7
71.04909	6.7
71.08548	90.1
71.86407	4.0
79.05406	80.2
81.03326	10.0
81.06977	71.1
83.04881	32.9
83.08516	10.4
83.88100	3.8
85.06455	6.8
88.65446	4.5
91.05398	47.4
92.10165	4.4
93.06961	100.0
95.04889	29.0
95.08527	68.3
97.06452	17.6
97.10110	6.4
99.08014	49.1
105.06984	34.2
107.04867	6.8
107.08531	31.0
109.06369	3.9
109.10111	36.5
109.22717	4.2
117.06957	7.4
119.08531	23.2
121.10099	26.5
125.09524	5.8
129.06931	5.7
131.08543	5.2
133.10069	22.5
135.11649	35.5
137.13229	4.2
143.08484	4.7
147.11633	15.7
149.13246	6.1
150.22240	4.5
151.11134	40.4
161.13210	22.2
162.57758	4.6
163.11105	7.5
174.11552	4.6
179.14278	55.1
201.09846	3.9
277.21585	80.7
309.23944	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	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	27.9
53.34350	2.2
55.01805	10.7
55.05447	50.0
57.06997	2.9
67.05429	71.4
69.03365	4.1
69.06652	3.2
69.06988	48.3
71.08572	2.5
79.05417	50.3
81.03335	100.0
81.06970	68.0
83.04901	24.2
83.08541	11.9
86.49943	2.4
87.63624	2.3
91.05388	32.8
93.06974	54.9
95.04895	49.0
95.08534	17.5
97.06462	11.0
97.10098	10.4
105.06971	27.0
105.24331	2.7
107.08519	28.9
107.99030	2.3
109.06453	11.1
109.10101	17.2
111.08021	3.9
119.08514	15.6
121.10078	5.5
125.09657	5.8
131.08511	4.1
133.10109	13.4
145.10168	2.8
147.11639	10.2
151.11189	31.2
161.13260	12.6
165.12717	9.9
175.14900	3.0
203.12607	3.2
231.20959	4.4
232.72134	2.7
247.72212	3.1
249.22253	3.7
277.21555	82.4
277.24344	4.5
309.35815	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	309.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	27.5
54.81852	2.8
55.01809	6.1
55.05452	35.4
57.03377	3.6
57.07011	4.1
58.45816	2.6
65.93748	3.3
67.05424	55.4
69.06985	53.3
70.31548	3.1
71.04932	2.7
71.08547	3.4
79.05419	41.5
81.03337	100.0
81.06970	48.8
83.04904	18.3
83.08547	7.4
91.05402	26.5
93.06951	50.0
93.64017	3.4
95.04894	49.7
95.08540	33.1
97.10081	6.8
101.11628	3.3
105.06944	30.2
107.08529	27.2
108.80648	4.2
109.06461	16.7
109.10120	16.7
114.37474	3.3
116.34762	3.3
119.08515	13.5
121.10078	7.2
123.11623	5.2
123.27431	3.5
125.09576	15.9
132.57030	3.2
133.10123	16.4
135.11653	7.5
138.83499	3.1
147.11646	7.0
151.11153	20.8
153.08957	3.6
161.13217	7.4
171.11607	4.2
203.12781	5.6
241.19394	4.4
277.21561	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.20967	0.9
52.64716	1.0
53.00250	1.0
55.01802	1.9
55.05193	1.2
55.05452	28.1
57.03368	1.7
57.06999	7.6
61.06884	1.0
67.05427	24.6
69.03344	1.9
69.06988	27.2
71.04896	4.4
71.08549	21.0
72.04446	1.3
79.05407	13.8
81.03363	1.1
81.06516	1.6
81.06978	44.0
83.04903	5.3
83.08548	9.4
85.06461	2.2
91.05408	8.1
93.06381	1.1
93.06965	28.6
95.04897	9.5
95.07970	1.2
95.08537	27.3
97.06442	10.5
97.10081	2.6
98.25716	1.1
99.08019	10.2
103.41592	1.0
105.06960	12.9
107.08536	23.5
109.06474	12.8
109.10091	10.0
111.08021	4.3
119.08546	8.5
121.10088	8.4
123.08012	5.6
123.11658	2.8
131.08522	2.2
133.10094	2.2
135.11641	2.2
135.70967	1.1
137.13191	1.7
143.08707	1.1
145.10144	1.2
146.86920	1.1
149.13303	1.9
153.12698	2.2
161.13191	2.5
165.12714	18.0
167.14262	1.3
193.15813	6.3
201.16086	1.2
291.23105	19.8
309.24182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3102
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
55.05455	21.2
57.07011	34.3
67.05424	1.8
68.12194	1.9
69.06990	28.0
71.08559	14.6
72.04433	100.0
79.05430	2.6
81.06985	4.7
83.08536	12.1
85.10104	4.6
91.68498	1.8
95.08528	4.0
97.06471	2.9
97.10083	9.3
100.07536	2.9
100.13212	2.3
107.08450	3.0
109.10104	2.3
114.03681	1.9
114.09114	13.3
121.62796	2.0
125.64067	2.0
128.10678	3.4
142.12303	2.4
238.29147	2.3
310.30960	90.0
311.31491	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	310.31
Annotation	Oleoyl Ethyl Amide
Peak:m/z	Relative Intensity
52.18521	0.5
55.05435	0.9
57.07008	5.6
70.06483	0.8
71.08540	1.1
72.04418	1.1
72.07668	1.3
72.08066	36.4
76.56420	0.7
78.40615	0.6
92.10140	0.7
92.10677	4.5
98.06000	2.2
102.26902	0.6
113.06364	0.6
116.69210	0.6
126.09072	1.1
128.10620	0.8
138.39293	0.6
142.12225	2.6
156.13817	0.8
183.33463	0.7
310.30960	100.0
311.31393	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	310.3102
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
51.32084	0.6
55.05455	6.7
57.07001	4.5
67.05408	0.9
69.06998	6.6
71.08545	1.0
72.04433	100.0
81.06956	0.7
83.08530	3.9
85.10101	0.8
90.03571	0.6
97.10091	3.1
100.07542	3.4
107.08569	0.6
109.04066	0.6
114.09153	7.3
128.10677	5.5
128.41292	0.6
136.75760	0.7
142.12207	3.3
146.27357	0.7
156.13783	1.2
174.95268	0.7
181.00119	0.7
198.18542	0.7
254.24712	0.7
310.30997	49.6
310.34628	1.6
311.31195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1269
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
55.01795	3.2
56.04963	1.5
57.07001	1.4
59.06041	1.6
65.03161	1.2
69.03336	1.2
70.06498	6.2
71.04884	1.8
71.07271	2.0
72.04428	18.7
74.00568	6.0
81.03365	1.4
82.91605	1.3
82.92074	1.3
84.04430	17.3
84.08076	2.0
85.02837	1.7
85.06453	6.8
87.06757	1.9
90.05478	23.4
92.01625	30.5
95.04903	2.7
98.97504	2.5
100.07532	30.1
102.05459	2.8
110.02682	80.9
111.05499	2.6
112.07504	1.7
113.05940	6.5
114.37088	1.3
115.08644	5.5
116.01695	1.3
116.09425	12.4
116.21408	1.3
123.04399	2.6
124.07580	1.8
130.08592	5.6
134.01689	3.0
134.02672	69.7
134.03687	2.5
136.07526	6.4
142.08591	8.9
148.08427	1.9
150.05449	2.4
150.07727	8.9
152.03751	6.6
157.10973	12.5
163.05258	11.1
164.03773	2.2
165.05405	2.1
181.06372	100.0
184.09644	2.3
189.09898	5.3
189.68637	1.4
213.12325	6.6
233.85706	1.3
237.02710	1.6
293.11545	25.3
312.12653	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03879	2.5
53.52352	1.4
55.01802	8.6
55.05452	42.6
56.89267	1.4
57.03366	7.2
57.07016	2.6
62.60117	1.7
63.18967	1.6
65.03865	2.0
67.05430	92.4
68.65723	1.5
69.03345	3.8
69.06992	29.2
71.04886	6.6
79.04964	2.2
79.05411	54.2
81.03365	5.5
81.06976	100.0
83.04881	4.4
83.08543	17.0
85.06462	4.0
91.05412	59.6
93.06973	63.7
95.04887	14.5
95.07972	2.3
95.08540	50.4
97.06472	12.6
97.10075	9.0
99.08018	2.8
100.10353	1.6
103.05408	1.7
105.06975	71.4
107.04899	8.5
107.08534	34.6
109.06470	10.4
109.10100	31.7
111.08047	3.1
115.05396	2.3
117.06991	19.0
119.08537	52.8
121.06465	3.7
121.10108	17.3
123.08005	9.0
123.11645	7.0
125.09558	4.1
129.06969	3.8
131.08536	21.0
133.10089	39.2
135.07993	9.1
135.11655	8.7
137.09576	7.2
141.06943	2.4
143.08563	1.8
145.10077	19.3
147.11665	11.9
149.09598	11.6
149.13205	7.2
150.45911	2.0
151.11159	4.4
157.10083	6.9
159.11670	13.2
161.13263	2.0
163.11150	9.9
169.10023	2.1
171.11591	2.4
173.11705	3.0
173.13138	3.7
177.12680	3.0
183.11488	2.1
185.13142	1.7
213.16371	2.7
236.73132	1.8
239.17807	3.5
241.59627	1.9
257.18951	7.4
275.20004	67.3
293.21060	17.2
311.14563	2.2
325.01349	1.7
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	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.00221	2.6
53.03896	3.6
55.01804	6.9
55.05453	49.7
57.03365	5.0
57.07012	7.0
67.05427	100.0
69.03351	5.6
69.06979	19.0
71.04901	18.6
71.08545	55.2
79.05412	37.1
81.03332	13.4
81.06976	47.8
83.04898	24.4
83.08530	14.2
85.02821	7.3
85.06448	3.7
91.05410	38.2
92.10228	12.0
93.06990	48.2
95.04885	15.4
95.08533	78.1
96.63361	2.6
97.06470	12.1
97.08163	3.1
97.10102	11.4
99.08020	25.2
101.23800	3.2
105.06976	22.2
107.08523	18.9
109.06485	5.1
109.10107	44.8
111.08019	4.0
116.90524	2.9
117.06995	2.8
119.08586	23.1
121.06504	3.1
121.10126	6.6
123.08037	3.4
125.09588	3.4
127.11184	5.1
128.06165	3.0
131.08530	6.6
133.10049	11.9
137.09598	15.3
139.11180	21.2
139.28604	2.8
140.05495	2.8
141.09007	4.0
151.11137	25.6
155.10634	19.4
159.11679	4.8
161.09593	7.2
163.04547	4.0
167.10629	3.1
173.11823	5.7
173.13264	3.7
177.12685	5.0
179.10664	3.5
229.19560	4.1
275.19992	29.3
293.21030	45.9
311.22089	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.58162	2.8
53.03894	4.5
55.01807	2.9
55.05445	35.5
56.96487	3.3
57.03387	3.7
59.55035	3.3
67.05424	42.7
69.03365	3.7
69.06980	36.0
71.04922	5.2
72.19318	3.1
74.60719	3.3
79.05404	53.7
81.06973	100.0
83.04919	5.1
83.08533	13.4
85.02799	4.3
85.06471	5.3
91.05417	40.1
93.06966	49.7
95.04911	7.8
95.08534	24.1
97.06461	4.8
97.10098	7.6
99.08017	23.0
105.06963	58.2
107.04890	8.2
107.08534	31.9
109.06443	3.7
109.10086	4.5
117.06949	13.5
119.08538	32.0
121.10082	21.0
131.08524	26.3
133.10086	26.4
135.11633	5.4
145.02789	4.5
145.10104	26.6
146.06013	6.3
147.11671	23.5
159.11671	16.4
162.05505	8.8
166.68452	3.9
171.11647	4.3
181.04893	13.6
182.86185	3.9
198.68181	4.0
199.14824	6.5
211.27278	3.4
213.47665	3.4
235.16907	4.3
257.18884	8.0
266.03299	5.2
275.20001	59.4
282.02933	6.2
293.21088	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	311.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	3.6
54.13103	2.4
55.01815	6.6
55.05453	26.8
57.06994	3.4
66.91865	3.1
67.05437	50.0
68.02796	3.2
69.06982	22.6
71.08549	100.0
72.67390	2.8
79.05415	24.2
81.06979	62.2
83.04908	4.4
83.08552	14.0
85.06490	3.4
89.18868	2.9
91.05405	16.5
93.06975	24.6
94.80740	2.9
95.08543	42.6
97.06466	6.8
97.10082	4.1
99.08035	58.2
105.06966	22.2
107.08525	18.5
109.10117	16.3
119.08527	18.3
121.10117	13.1
123.11646	3.7
126.33027	2.8
127.66110	3.1
131.08525	4.4
135.11598	4.8
145.10066	6.0
147.11671	31.0
153.12695	3.7
163.11154	5.8
163.14764	4.7
165.12753	6.2
165.42326	3.0
181.15715	3.4
243.21004	4.5
261.22031	11.2
279.23138	39.0
311.25812	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	312.13
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
57.03360	0.5
59.31498	0.2
67.56495	0.2
69.03339	0.3
70.06503	1.5
71.01236	0.2
71.06027	0.4
72.99010	0.2
79.68790	0.2
85.02814	0.3
102.90757	0.2
110.03467	5.9
128.04503	1.0
134.24336	0.2
134.86691	0.2
135.02997	0.4
137.08186	3.3
153.04065	3.3
162.07671	1.1
165.06354	0.5
169.13193	0.3
180.08757	100.0
181.09099	0.5
257.44440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59631	0.7
53.03882	1.8
54.81949	0.8
55.01802	1.6
56.11045	0.6
57.03362	7.4
60.20024	0.6
61.02610	0.7
61.02858	13.8
63.50670	0.8
67.22401	0.8
69.03345	20.6
69.06982	12.3
71.04905	3.1
73.02477	0.6
73.02814	6.1
73.06472	1.0
81.03337	9.4
85.02823	100.0
86.03174	1.1
87.04385	1.7
87.08022	12.2
88.41601	0.8
91.03868	5.3
93.69738	0.9
97.02818	26.0
99.04374	5.2
109.02814	7.9
115.03870	1.2
115.07501	1.5
127.03880	19.3
133.08574	3.1
145.04938	28.1
163.05942	8.4
218.77045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	3.1
54.84272	0.6
55.01806	2.6
57.03378	6.8
61.02859	12.8
69.03354	21.6
69.06989	9.7
71.04897	2.7
72.60232	0.5
73.02842	6.1
73.06467	0.8
80.90173	0.6
81.03349	11.3
83.10045	0.6
85.02832	100.0
87.04386	3.4
87.08032	13.3
91.03882	6.5
97.02825	27.7
99.03281	0.7
99.04424	5.7
109.02830	5.8
115.03895	0.8
127.03876	19.5
133.08585	3.5
145.04944	23.7
163.06000	7.1
246.52257	0.7
252.80353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.3
53.23504	0.5
55.01803	2.4
57.03376	7.7
61.02859	12.0
62.00562	0.5
69.03008	1.1
69.03355	19.6
69.06992	10.3
70.18098	0.6
71.04904	3.0
73.02839	4.4
73.06429	0.7
75.25861	0.5
81.03336	9.3
85.02834	100.0
87.04372	3.3
87.08032	12.1
91.03884	5.3
97.02828	22.9
99.04377	4.0
101.02354	0.7
109.02814	8.0
115.07497	0.8
127.03867	18.6
133.08591	3.6
145.04939	26.1
151.09598	0.7
163.05978	6.6
180.08614	0.8
181.03094	0.7
242.28236	0.7
317.64877	0.8
331.58957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2168
Annotation	YM 47515
Peak:m/z	Relative Intensity
50.96014	1.5
53.54363	1.4
55.05221	2.9
55.05453	37.8
55.35470	1.8
56.05790	1.7
56.96508	2.0
58.86604	1.4
59.04941	2.0
62.94316	1.4
62.98314	1.5
64.06178	1.5
67.05432	26.6
69.03342	1.8
69.06985	12.5
69.21078	1.7
71.04899	8.9
71.98222	2.0
79.05414	23.5
81.06975	36.9
83.04909	22.9
83.08530	27.7
83.43394	1.5
84.08060	2.5
85.06458	7.7
91.05412	3.5
93.06973	46.0
95.04913	1.9
95.08523	15.7
97.06461	34.4
100.07548	4.4
105.06982	3.8
107.08530	41.1
107.09197	2.3
109.10107	11.4
111.04395	10.2
111.08026	2.0
116.98560	1.9
121.10075	18.7
128.07053	2.5
132.27574	2.4
149.13232	97.0
167.14281	12.4
184.16927	75.0
190.54108	1.7
216.50618	1.7
216.56920	1.9
250.21530	8.9
258.18506	2.0
266.21094	100.0
276.19690	4.3
294.17297	3.5
294.20587	90.1
307.99255	1.9
312.21671	20.8
312.25006	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	312.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45493	1.6
53.00231	3.0
53.03891	4.4
53.50309	1.5
54.59099	1.5
55.01816	3.5
55.05453	54.7
57.03362	10.2
57.06995	7.9
59.04919	3.2
63.83266	1.8
66.29578	1.9
67.05079	3.8
67.05425	100.0
67.84277	1.7
69.06982	28.2
71.04905	2.6
71.08541	7.6
71.23676	2.0
79.05409	67.3
81.06509	3.7
81.06973	88.1
83.04881	4.6
83.08543	28.1
85.06463	2.5
91.05388	31.1
93.06973	67.3
95.04867	8.7
95.08537	41.6
97.06423	8.1
97.10102	22.6
99.07973	2.5
105.06981	19.9
105.32836	2.3
107.08537	44.1
109.10101	48.6
113.79345	2.0
117.06963	8.6
119.08514	16.2
121.10099	22.9
123.08023	4.3
123.11662	3.3
125.09584	11.4
131.08583	7.1
133.10080	12.7
135.11671	20.2
147.11678	3.5
149.13242	8.5
157.09978	1.8
157.12167	2.6
161.13249	4.0
173.11725	4.5
173.13164	2.6
179.14278	4.3
189.11067	2.9
209.05396	1.9
241.19446	2.5
259.20480	9.2
277.21564	28.4
286.61636	1.9
313.27356	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	4.1
53.03875	3.9
54.81085	2.8
55.01805	5.5
55.05455	62.4
56.04964	6.2
57.03366	6.2
60.70584	2.9
64.32789	3.6
67.05428	99.4
69.06990	42.1
70.80808	3.0
71.04903	6.7
71.08189	5.2
71.08549	100.0
71.09196	3.2
79.05416	57.0
80.02704	3.4
81.03321	23.6
81.06978	81.8
83.04893	13.7
83.08534	32.2
85.02824	5.1
85.06451	4.8
91.05416	30.2
93.06973	46.1
95.04880	20.9
95.08530	55.4
97.06450	7.7
97.10101	37.7
99.08031	42.3
99.66296	4.0
105.06969	29.8
107.08544	36.0
109.06458	7.0
109.10095	27.6
111.08018	5.5
117.06951	6.3
119.08552	26.0
121.10101	16.3
125.09597	14.5
133.10054	8.7
134.17592	3.3
135.11644	17.3
137.09579	4.7
139.11067	4.6
144.06351	3.8
145.10098	6.8
147.11629	13.5
149.02359	5.5
151.11157	55.1
161.13240	16.6
163.11107	8.3
175.34145	3.2
179.14229	6.3
189.11133	8.6
198.14867	5.9
253.05989	3.9
259.20480	3.4
259.47345	3.6
277.21506	67.7
294.21213	4.6
295.22626	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	1.1
57.06761	0.9
57.07008	12.1
67.05441	0.9
71.08536	4.2
72.08063	1.3
74.09629	51.5
87.51408	0.7
95.08507	0.8
121.59388	0.7
129.99721	0.7
154.79367	0.8
163.22112	0.7
175.90233	0.8
185.70934	0.9
200.80760	0.7
273.44437	0.8
284.29407	0.9
312.32535	100.0
313.32910	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	312.3258
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
52.47484	0.4
53.00245	0.6
55.05442	2.3
57.06741	1.0
57.07011	24.4
60.19355	0.5
63.77161	0.5
67.05429	0.4
69.06977	3.8
71.04890	0.7
71.08540	4.5
72.04421	1.1
74.05988	5.6
79.82435	0.5
81.06975	0.7
83.08515	2.5
85.10082	1.0
88.07050	0.9
88.07559	20.1
92.10269	1.7
95.08501	0.7
97.10094	1.0
100.07534	1.1
102.09114	10.7
116.10680	3.5
127.84767	0.5
138.47237	0.6
144.13785	0.8
158.15361	0.8
256.26291	49.6
312.32532	100.0
313.32901	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3256
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
51.61794	1.0
54.97680	0.8
55.05448	0.9
57.07010	12.3
57.42535	0.7
57.68163	0.8
57.80170	0.7
60.72115	0.7
62.21402	0.7
62.52950	0.7
64.33628	0.8
68.13672	0.8
71.08540	1.9
72.04421	3.6
85.10120	1.3
88.07550	1.6
100.06369	0.9
102.09116	3.8
106.12469	0.9
116.10690	7.4
118.61198	0.9
130.12248	4.5
226.20758	0.9
312.32529	100.0
313.32883	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	312.3254
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
51.25436	0.4
57.06787	0.5
57.07010	8.5
68.89309	0.4
71.08537	4.0
72.04425	6.2
81.06993	0.6
85.10092	0.7
85.51041	0.6
92.10212	0.8
102.09135	3.5
109.43726	0.4
111.61912	0.4
116.10682	5.6
128.21332	0.5
130.12234	2.3
149.90482	0.5
312.32520	100.0
313.32776	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	313.2369
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.29947	1.6
55.01801	13.6
55.05448	41.4
56.96497	3.0
57.03368	12.0
57.07005	4.6
59.04919	2.4
67.05074	3.8
67.05424	100.0
68.64219	1.7
69.06987	24.4
71.04917	8.0
71.08540	20.2
76.08521	1.9
79.00938	1.9
79.05408	31.0
81.06975	48.2
83.04885	9.8
83.08533	20.6
85.06472	3.9
89.91174	1.7
91.05401	20.7
93.06972	35.9
95.04900	4.8
95.08537	23.5
97.06450	3.7
97.10089	2.8
99.08016	12.2
105.06976	12.0
107.08517	19.4
109.10091	47.1
111.08056	4.7
116.98536	2.7
117.06963	2.0
119.08537	11.9
121.10092	9.9
123.08030	4.3
123.11674	2.5
125.09620	4.3
127.11097	2.1
131.08479	2.3
133.10104	10.1
135.11665	10.7
137.09572	3.3
141.12717	18.7
145.10138	4.5
147.11693	7.6
149.13271	7.7
151.11163	3.9
155.10518	2.2
157.10068	2.2
163.11221	3.1
165.12688	2.8
173.11719	21.6
177.12691	2.2
189.11200	2.6
249.00006	1.9
277.21426	26.2
295.22580	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.01523	2.3
53.00242	3.2
53.03894	5.8
53.96636	2.0
54.81470	2.4
55.01809	39.2
55.05450	77.2
56.96522	2.8
57.03083	2.3
57.03365	14.3
57.07005	12.8
58.95863	2.0
64.33038	2.7
67.05426	83.6
69.03336	4.5
69.06987	52.6
71.04898	17.6
71.08551	41.7
79.05408	61.8
81.03326	6.1
81.06975	100.0
83.04900	21.7
83.08531	37.8
85.02792	2.7
85.06458	4.2
85.10084	4.7
91.05416	53.0
93.06976	76.6
95.04902	20.3
95.08529	45.0
97.06474	24.9
97.10097	12.7
99.08020	20.9
103.05422	3.0
105.06972	40.0
107.04881	3.2
107.08549	42.1
109.06483	6.4
109.10094	16.4
111.08031	23.2
113.09602	3.6
113.30824	3.3
115.05399	2.8
117.06940	4.4
119.08533	29.0
121.10113	32.3
123.08009	6.1
123.11652	12.4
125.09570	5.9
129.06921	4.8
131.08537	10.5
133.10097	14.6
135.11647	17.0
139.11183	14.7
143.08540	4.6
145.10039	5.8
147.11691	23.9
149.09613	6.8
149.13205	11.8
151.11148	24.2
159.11626	4.8
161.13211	5.5
163.11134	6.6
163.14792	2.8
165.12704	24.5
173.13332	3.3
177.12726	3.4
179.14272	4.7
185.11678	5.4
195.13771	10.4
236.05904	3.1
241.19440	3.5
259.20474	11.1
277.21539	49.9
295.22562	19.2
305.42847	3.0
312.25061	5.8
313.25443	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2368
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03880	3.6
55.01808	26.6
55.05447	65.0
57.03386	3.2
57.07008	6.0
67.05426	96.0
69.06993	37.5
71.04910	3.9
71.08546	29.7
79.05407	54.8
81.03325	4.7
81.06509	4.9
81.06971	100.0
83.04918	20.0
83.08531	36.5
91.05404	48.6
92.10998	3.6
93.06975	57.7
95.04888	18.3
95.08513	47.0
97.06456	18.5
97.10074	7.2
99.08029	12.3
103.17274	3.3
105.06977	33.9
107.08524	32.0
109.06477	7.0
109.10117	22.7
111.08025	15.4
113.09564	4.4
117.06975	4.4
119.08535	23.9
121.10107	20.9
123.08027	3.8
123.11641	5.8
129.06932	4.1
131.08537	6.2
133.10098	18.3
135.08040	3.3
135.11607	7.3
138.36848	3.2
139.11203	7.1
145.10115	3.9
147.11649	22.7
149.09566	3.6
149.13229	13.9
151.11159	15.9
157.10292	3.1
159.11632	5.0
163.11165	3.2
165.12708	6.1
173.11646	3.9
175.11098	3.1
179.14301	3.4
195.13835	6.1
231.20898	4.5
277.21548	39.5
295.22607	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03865	1.3
55.01818	9.9
55.05455	32.0
57.03162	0.9
57.03378	13.2
57.07001	2.3
59.04917	3.2
59.14280	1.1
62.33191	1.1
62.68640	0.9
67.05427	100.0
69.03334	1.7
69.06992	18.9
70.20951	1.1
71.04910	5.8
71.08536	5.7
79.05406	16.5
81.06976	37.9
83.04893	6.4
83.08546	16.0
85.06454	5.1
91.05414	12.0
92.10817	1.5
93.06976	18.8
95.04881	2.9
95.08533	16.7
97.06448	3.0
97.10106	8.6
97.41953	1.4
105.06972	8.5
107.08553	11.4
109.06429	1.6
109.10109	61.8
111.08040	2.5
117.06950	2.5
119.08524	10.0
121.10089	2.2
123.08002	2.1
125.09570	2.9
133.10066	5.9
135.11613	5.1
136.87787	1.1
137.09618	3.2
139.11182	4.6
141.12744	2.2
147.11656	3.0
149.13269	1.9
151.11131	1.6
153.12646	1.3
155.10635	5.8
160.12933	1.3
173.11713	39.3
195.13799	1.6
215.02090	1.2
249.21924	1.6
277.21515	11.2
295.22665	9.6
325.58807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
54.81535	3.7
55.01809	100.0
55.05452	56.8
55.20506	3.4
57.03368	33.2
57.07010	68.4
58.30046	3.5
67.05418	59.7
69.06987	85.5
71.08548	33.8
78.89897	3.6
79.05400	32.1
79.98778	3.8
81.03326	9.0
81.06977	61.7
83.04882	15.1
83.08530	20.8
85.10101	15.5
86.09641	3.9
86.86491	3.6
91.05410	8.5
93.06985	29.9
95.04898	8.8
95.08534	38.9
95.31377	3.8
97.06426	4.7
97.10079	5.8
104.10644	5.0
105.06950	6.7
107.08530	7.5
109.10087	18.4
119.08547	5.1
121.10070	15.1
123.07935	5.0
125.09576	4.8
132.77847	4.3
139.11154	57.8
151.11172	4.6
166.94678	4.1
277.21591	33.6
295.22418	19.3
313.27277	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	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.13360	1.9
53.03873	2.4
55.01818	9.2
55.05455	62.6
57.03377	4.5
57.07016	5.0
63.82095	2.0
64.39159	2.3
65.03863	2.1
67.05428	96.1
69.03349	3.0
69.06988	60.0
69.99398	2.2
71.04927	7.4
71.08547	4.9
79.05414	68.1
81.03339	4.3
81.06980	95.6
82.15590	2.4
83.04888	5.8
83.08537	30.2
85.06453	3.8
91.05410	46.4
92.10924	3.2
93.06371	2.7
93.06974	92.6
95.04899	14.5
95.08533	100.0
97.06466	12.1
97.10105	10.7
98.56301	2.3
99.08009	2.4
105.06979	35.6
107.04875	2.6
107.08530	35.1
109.06477	9.3
109.10101	30.1
111.08029	9.5
113.09594	11.7
117.06973	4.6
119.08561	26.5
121.10101	33.6
123.08082	3.2
123.11658	5.8
125.09557	4.1
129.07014	4.3
131.08559	11.9
133.10085	12.6
135.11635	17.9
139.11122	2.8
145.10088	3.5
147.11676	13.0
149.09624	3.8
149.13287	5.8
159.11687	3.5
161.09641	2.7
161.13225	4.6
165.12616	2.7
173.46805	2.4
186.44080	2.2
195.13689	3.4
259.20450	3.0
277.21600	31.8
295.22580	4.6
296.12405	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.70480	2.1
53.03869	4.8
55.01804	4.4
55.05453	37.1
57.03369	2.7
57.07011	4.6
67.05426	56.9
69.03363	3.6
69.06989	29.7
71.04907	6.5
71.08545	30.7
79.05414	34.2
81.03348	22.7
81.06969	36.5
83.04898	11.8
83.08533	6.9
84.56578	3.0
85.02809	3.9
85.06463	4.2
89.38077	2.5
91.05380	19.7
93.06965	41.5
95.04890	24.6
95.08525	54.9
97.06447	6.7
97.10123	3.9
99.08013	14.5
105.06965	4.8
107.08530	19.0
109.06487	6.5
109.10123	23.8
117.06990	3.6
119.08556	6.3
121.10097	13.0
123.11752	2.6
133.10115	5.4
135.11594	5.6
137.09583	11.4
143.08517	3.4
151.11198	26.2
161.13226	3.8
195.87347	2.9
198.00490	2.8
208.60754	2.7
217.13321	3.1
221.15384	2.6
277.21564	53.0
295.22595	100.0
304.40744	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	313.2369
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.34545	3.1
54.13066	3.4
55.01806	43.1
55.05446	81.4
57.03374	4.3
57.07011	9.2
67.05426	100.0
69.03344	8.8
69.06985	67.7
71.08546	8.5
71.95008	3.8
79.05393	47.8
81.03332	8.4
81.06971	78.0
83.04913	19.5
83.08544	31.0
91.05405	33.9
92.10261	11.4
93.06968	63.0
95.04882	7.8
95.08524	53.7
97.06455	23.1
97.10090	37.5
105.06979	16.0
107.08549	31.6
109.06478	7.1
109.10100	47.3
112.32922	3.5
117.07007	4.9
119.08578	17.8
121.10107	16.6
123.08013	8.5
123.11601	4.2
123.62647	3.7
125.09558	23.2
128.40364	3.8
133.10091	6.0
135.11705	8.1
137.09599	8.0
139.11157	24.2
143.40355	4.2
144.75346	4.2
145.10088	5.2
147.11655	7.0
149.13187	6.9
171.62328	3.9
173.11685	4.8
177.34283	3.9
179.14328	5.5
202.79419	3.7
249.22063	8.0
277.21570	51.3
295.22525	47.0
296.58350	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	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.24107	1.5
53.03883	3.3
53.83189	1.3
55.01815	9.8
55.05188	2.1
55.05453	36.0
56.05769	1.8
57.03372	2.7
57.07020	19.5
59.04935	1.3
64.32578	1.3
67.05077	2.5
67.05429	54.9
69.03345	1.5
69.06989	27.6
70.74492	1.4
71.04906	8.1
71.08553	5.9
79.05412	28.7
81.03349	19.7
81.06975	48.9
83.04920	12.3
83.08537	15.0
85.02834	6.4
85.06476	6.3
85.10113	22.5
91.05403	20.6
93.06992	29.0
95.04901	18.6
95.08540	25.7
97.06461	5.4
97.10111	8.8
99.07983	1.6
105.06983	18.3
107.04934	3.1
107.08559	21.2
109.06478	8.7
109.10115	26.2
111.08065	3.7
113.09585	11.7
119.08539	6.7
121.10112	8.0
123.08040	2.5
123.11695	2.1
125.09554	3.0
131.08542	3.5
133.10107	11.7
135.11629	2.5
137.09605	1.8
147.11711	3.4
149.09602	7.0
149.13281	2.1
151.11174	7.1
161.13167	2.5
165.12737	33.4
166.67682	1.6
200.70708	1.5
272.01859	1.8
277.21570	42.0
286.97543	1.5
295.22638	100.0
296.23029	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	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03875	2.9
55.01802	13.0
55.05453	44.5
57.03362	12.2
57.06999	8.7
58.89162	1.7
59.04927	3.2
61.97985	2.0
65.03846	2.9
67.05084	3.4
67.05427	100.0
69.03374	1.6
69.06983	41.2
71.04902	9.1
71.08540	4.9
79.05405	40.6
81.03338	4.3
81.06508	3.3
81.06973	86.4
82.07302	2.6
83.04896	10.7
83.08530	24.0
85.06461	3.7
91.05399	29.8
91.35950	2.3
93.06966	52.8
95.04892	11.4
95.07966	2.6
95.08534	51.8
97.06458	19.5
97.10086	4.7
99.08031	4.1
105.06978	28.0
107.08540	25.1
109.10108	46.3
111.08051	4.9
117.06961	4.1
119.08556	20.3
121.10094	14.5
123.08011	8.2
125.09569	8.5
129.06961	3.2
131.08537	4.9
133.10091	16.2
135.11636	9.0
137.09624	3.9
137.13152	2.2
139.11139	3.7
143.08578	4.5
145.10162	3.8
147.11716	4.6
147.60747	2.2
147.73428	1.8
149.13213	11.0
151.11137	2.3
155.10611	3.0
157.10045	4.0
157.12074	2.1
159.11723	3.5
161.13243	4.9
165.12680	3.5
171.11598	4.8
173.11731	30.3
175.14783	2.3
177.12650	2.6
185.13220	7.5
189.11206	2.8
195.13809	10.4
213.99590	3.2
231.21031	3.8
241.19472	10.1
249.22192	2.7
259.20398	13.9
277.21448	30.9
295.22440	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.2
53.34348	1.3
55.01812	7.2
55.05455	29.2
57.03374	18.9
57.07010	42.3
58.06525	11.1
59.07315	3.3
60.08097	13.9
60.25162	1.2
62.71378	1.4
62.95449	1.2
66.05476	1.2
67.05428	50.7
69.06990	31.8
71.07290	10.3
71.08546	19.3
72.08068	1.7
77.00813	5.2
78.00880	1.3
78.08734	1.3
79.05405	11.6
79.40317	1.2
81.03364	1.3
81.06973	40.4
81.16602	1.3
83.04881	2.3
83.08539	13.2
85.10098	9.3
86.09628	74.8
87.09959	3.3
91.05411	3.2
93.06971	8.4
95.01862	7.3
95.04845	2.4
95.08536	33.1
97.06458	1.3
97.10101	7.6
98.98385	8.0
104.10678	100.0
105.06993	2.1
105.11018	6.4
107.08549	8.1
109.10106	9.6
119.08522	1.9
121.10084	2.4
123.11674	2.1
124.99962	64.1
130.54068	40.9
131.01924	2.4
131.04156	10.6
131.53934	7.9
133.03439	8.2
135.11656	1.3
139.11154	3.2
139.54601	2.4
140.54344	2.0
141.04524	1.5
142.04861	3.4
142.55055	1.2
143.54839	1.5
149.02980	2.8
149.54822	19.3
150.04945	5.8
150.54727	6.9
156.95883	1.2
156.96117	1.2
156.97424	12.4
158.37762	1.3
158.55368	50.0
158.56645	2.7
159.05472	15.9
159.55258	11.4
161.05603	1.7
164.97899	1.4
170.06174	7.0
174.98491	26.2
175.98589	2.7
176.98207	2.5
181.02563	18.8
182.99011	11.4
184.07272	18.0
198.00310	1.6
201.00085	26.2
202.00195	2.5
202.99760	2.3
213.00093	5.8
231.91833	1.2
239.01587	7.3
240.09892	59.4
241.10222	6.3
242.06334	11.9
243.06633	2.1
244.06049	2.1
257.02606	1.6
260.07401	6.0
261.07364	2.4
264.95016	1.5
271.65659	9.7
272.15771	11.1
272.65887	5.9
280.07837	6.9
280.66428	2.9
289.66766	9.4
290.16943	7.6
295.22507	2.2
298.09024	10.1
301.17679	1.8
303.21582	3.3
313.27313	38.0
321.22702	42.7
322.22989	19.1
323.22507	13.2
331.79385	1.8
336.19177	1.6
339.23636	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00210	0.3
61.01082	0.7
62.05776	0.3
62.06025	5.4
62.46280	0.2
63.38229	0.3
69.03336	1.7
70.06517	0.6
71.04897	0.6
85.02828	1.7
89.05949	4.5
97.02826	36.8
104.74731	0.3
119.03493	0.5
130.76791	0.3
131.00781	0.3
135.06541	0.5
136.06161	100.0
137.04593	0.7
143.01567	0.7
148.06168	0.4
164.05667	4.7
166.05066	0.4
178.07204	2.6
179.03662	0.6
296.08194	0.7
314.09119	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	314.1381
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
53.03878	1.7
54.91933	0.9
56.65530	0.8
64.33176	1.2
73.17968	0.9
89.03844	10.1
91.05406	15.9
92.10222	1.1
92.10744	4.0
93.06973	23.6
95.04892	8.0
103.05402	18.3
105.04428	1.2
117.03329	41.6
119.04968	0.9
121.06459	100.0
134.03569	2.2
135.04398	1.2
145.02818	85.4
149.05968	11.2
150.14589	1.0
163.03926	0.9
177.05431	96.0
186.95113	0.9
265.11063	1.0
314.13791	29.9
315.13858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02302	0.7
53.03879	2.8
55.28259	0.5
59.72417	0.6
68.23883	0.5
89.03827	12.1
91.05401	17.9
92.10751	2.4
93.06973	25.2
95.04896	8.1
101.22615	0.6
103.05395	18.3
105.04465	1.4
117.03323	42.9
119.04933	0.9
121.06454	91.1
133.58415	0.6
134.03595	3.0
135.04341	3.8
137.05888	0.6
145.02817	100.0
146.03183	0.8
149.05951	12.2
163.03804	0.9
174.95464	0.6
175.83815	0.6
177.05424	98.2
194.08090	1.1
273.09927	0.7
314.13794	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	314.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03864	0.8
53.65378	0.6
54.81886	1.0
57.03370	1.5
61.02850	3.2
62.06017	3.3
66.16175	0.6
68.82677	0.8
69.03342	6.5
70.06505	1.5
71.04904	19.5
71.22539	0.8
81.03340	3.4
84.61884	0.7
85.02345	1.2
85.02826	27.3
85.03340	0.9
86.01648	0.8
89.05949	100.0
91.03864	1.0
97.02821	9.1
99.04359	3.4
99.81282	0.7
109.02743	1.2
127.03863	3.8
129.29807	0.8
135.06485	21.5
145.04915	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83023	4.0
54.81459	5.6
56.96501	6.2
62.15923	4.5
65.03866	13.8
67.05420	13.6
69.03371	5.7
70.06509	5.4
74.45698	6.3
76.89017	5.1
79.05419	8.3
81.06996	11.1
83.04889	7.9
87.96867	5.5
89.75982	6.2
91.05397	10.6
93.03343	25.9
93.06997	7.3
95.04893	23.0
95.08541	54.6
98.97517	7.6
105.06973	26.7
107.08546	28.0
111.04356	6.0
116.98605	7.6
119.08534	47.8
121.02824	54.4
121.06506	6.1
123.04344	5.7
134.99602	7.7
135.07990	24.9
136.72345	5.9
139.03883	30.8
141.06990	7.7
145.02843	5.7
145.10094	10.5
147.04494	7.7
147.08003	11.0
152.67949	5.2
154.07816	6.6
159.11682	38.8
169.10063	24.8
173.09509	9.2
175.07529	31.5
182.07285	7.5
187.11111	30.0
193.08643	6.6
197.09602	65.0
215.10646	100.0
233.11717	39.7
243.10399	6.5
261.11133	24.1
279.12323	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	2.4
53.03872	1.7
55.01817	2.0
55.05449	22.3
57.03383	2.9
57.07010	21.5
57.51717	1.2
58.06548	1.2
62.06007	5.8
67.05075	2.9
67.05430	80.4
69.06725	1.1
69.06998	21.2
71.04907	2.0
71.08551	68.5
72.08081	2.2
72.60007	1.5
79.05418	25.7
81.06976	100.0
83.08550	12.2
85.06438	1.4
91.05422	18.3
92.10920	2.2
92.78658	1.3
93.06979	25.7
95.04909	1.6
95.08537	64.4
97.06487	2.7
97.10094	5.5
99.08028	33.6
102.64246	1.2
102.94222	1.3
105.06982	16.8
107.08545	17.3
109.06467	2.4
109.10100	17.7
117.06963	2.0
119.08550	16.1
121.10094	15.2
123.11656	6.6
131.08546	6.1
133.10094	3.4
135.11649	9.1
137.13240	5.7
145.10083	7.1
147.11652	20.0
149.09631	1.6
151.14775	2.1
153.12714	2.5
159.11652	1.9
161.13226	2.8
163.11163	3.1
163.14749	6.2
165.12726	6.2
173.13202	2.1
174.18506	6.2
181.15880	1.8
184.20651	2.3
202.21590	6.8
209.15259	1.5
243.21042	6.9
261.22073	5.8
279.23117	35.9
279.25955	2.4
314.34119	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	314.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.4
54.81757	0.4
55.05442	1.7
55.45034	0.3
57.06737	0.6
57.07013	16.0
58.06523	2.1
62.06020	5.1
67.05411	1.5
67.83142	0.3
69.06979	2.1
71.08546	6.9
72.08064	2.3
79.05386	0.7
81.06974	2.1
85.10096	2.3
91.05412	0.5
93.06981	1.4
95.08528	2.3
97.10117	0.3
99.07974	0.4
109.10126	0.4
115.36254	0.3
119.08547	5.0
123.11623	0.4
155.44760	0.3
156.17456	3.5
174.18504	7.8
184.20564	1.6
202.21652	6.4
229.16920	0.3
279.23135	2.5
296.33102	0.8
314.34109	100.0
315.34396	4.0
336.88068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	0.6
55.05442	2.5
57.07012	16.7
58.06517	2.9
62.06009	5.8
67.05429	14.4
69.06977	4.2
71.08187	0.8
71.08546	16.5
72.08060	2.8
77.17688	0.4
79.05416	4.0
80.25837	0.4
81.06973	14.8
82.07333	0.5
83.04862	0.4
83.08528	2.0
85.10085	0.9
91.05388	2.8
92.10286	0.9
93.06977	3.5
95.08523	9.5
97.06462	1.0
97.10097	0.5
99.08022	5.4
104.98577	0.4
105.06951	1.9
107.08531	2.5
109.10088	3.0
116.81806	0.4
117.07131	0.5
119.08529	2.7
121.10094	2.2
131.08490	1.1
133.10107	0.6
135.11632	0.7
145.10071	0.8
147.11673	4.3
149.13144	0.6
156.17406	2.3
156.74361	0.5
159.11632	0.7
163.11060	0.5
163.14766	1.5
165.12712	0.7
167.10577	0.5
174.18481	7.2
184.20546	2.9
202.21640	6.6
204.41823	0.6
261.21906	0.5
279.23154	6.1
291.76688	0.6
296.32962	1.0
314.34091	100.0
315.34457	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	315.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97383	0.7
53.42533	0.7
54.81927	0.8
55.05440	0.7
56.96485	3.7
57.03348	0.9
58.56598	0.7
59.63321	0.8
61.02856	0.9
67.05411	1.0
69.03344	3.7
70.06503	100.0
71.06837	1.1
78.08710	0.7
81.03329	6.9
84.04411	2.0
85.02812	3.0
91.05401	1.0
98.97517	4.3
107.04897	15.3
109.02834	3.5
111.04385	4.9
112.07542	60.9
113.39451	0.8
116.07039	20.5
116.98556	5.5
122.02681	1.1
125.05952	5.8
127.64288	0.9
134.99594	5.5
140.07027	4.5
153.00662	3.1
153.05431	14.2
158.06827	1.8
158.08087	38.8
170.04730	1.0
186.88565	0.8
188.05891	1.8
188.23996	0.8
195.06493	4.8
214.03773	1.7
232.04887	4.0
248.17210	0.8
274.97476	1.1
292.98627	1.2
324.64023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2528
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
55.05451	29.5
56.96502	2.3
57.03371	1.7
57.07018	2.2
64.09842	1.3
65.03859	1.4
67.05427	94.0
69.06988	26.7
71.04906	11.5
74.96259	1.6
79.05413	26.0
81.06976	100.0
83.04883	1.6
83.08535	12.8
85.06465	8.2
91.05394	12.5
93.06966	29.2
95.04882	1.8
95.08531	74.0
97.06453	8.2
97.10107	8.4
98.97526	13.6
101.05994	1.8
105.06972	12.9
105.10734	1.4
106.73585	1.5
107.08524	18.6
109.10110	36.7
111.08060	2.3
116.98564	22.5
119.08573	11.8
121.10116	16.4
123.07936	1.8
123.11662	11.9
131.08543	6.4
133.06451	3.5
133.10077	7.4
134.99605	21.6
135.01678	1.5
135.11658	10.9
137.09676	1.6
137.13242	2.3
139.48808	1.6
145.10110	2.6
147.11684	2.4
153.00699	7.2
161.13210	2.8
173.11719	3.4
173.13234	2.3
216.61719	1.6
243.21136	2.3
244.15556	1.8
261.22141	10.0
263.07855	1.6
268.58267	1.7
268.94083	10.1
274.97388	3.8
279.23120	28.0
292.98523	9.3
297.24121	3.8
333.73386	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	315.2528
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
53.00266	2.6
53.24512	3.2
55.05448	20.4
57.07010	16.4
61.96874	2.6
63.53418	2.5
67.05432	96.1
69.06989	30.8
70.89635	3.0
71.04905	4.6
71.08549	30.5
79.05400	26.9
81.06973	100.0
83.04887	3.6
83.08544	15.1
85.10097	27.5
91.05392	21.4
93.06966	24.4
94.31383	2.8
95.08542	87.3
97.06495	6.3
98.99192	2.9
99.08024	13.5
105.06995	7.4
107.08526	19.2
109.10118	14.7
112.42078	2.9
113.09602	15.0
117.03380	3.3
119.08527	5.8
121.10104	12.9
123.11642	4.0
131.08533	7.1
133.10091	19.1
134.09573	3.0
135.11661	5.6
137.73862	3.0
147.11642	14.6
161.13307	3.8
209.30450	3.7
261.22070	6.5
279.23148	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2527
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
55.01817	5.0
55.05453	49.2
56.18382	2.5
57.03363	3.7
57.07008	4.4
60.04451	5.7
66.06402	2.5
67.05427	100.0
69.06980	52.7
69.32636	2.9
71.04878	4.8
74.03349	2.7
74.33475	2.8
79.05407	34.1
81.06979	94.2
83.04894	4.9
83.08531	19.3
85.06486	4.4
87.04380	3.5
91.05389	11.1
93.06968	40.5
95.04914	4.7
95.08539	64.7
97.06445	7.3
97.10109	14.3
105.06981	7.7
107.08557	20.4
109.10105	26.0
111.08049	3.5
119.08573	5.3
121.10110	23.3
123.11681	6.1
125.09591	4.9
131.08589	4.9
135.11653	12.5
145.10118	4.8
147.11642	5.8
173.11726	4.5
175.40506	3.3
188.45416	3.7
261.22034	4.1
279.23029	40.3
292.98428	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	315.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88537	2.1
55.05449	19.0
56.96500	8.7
57.07018	8.6
60.04454	3.6
66.34032	1.9
66.65674	2.0
67.05433	82.5
69.06992	20.2
70.41367	2.0
71.04887	3.0
71.08545	21.9
72.08046	2.5
79.05413	23.1
81.06977	100.0
83.04900	3.5
83.08542	15.1
85.10094	12.8
91.05415	15.6
93.06976	28.9
93.22316	2.6
95.08533	61.6
97.06480	4.4
97.10131	3.3
98.97527	25.1
99.08007	4.2
105.06996	11.4
107.08540	14.6
109.10103	22.0
113.09612	9.1
116.98582	33.3
119.08514	3.6
121.06438	2.4
121.10105	13.7
123.11667	4.2
129.68291	2.4
131.08537	5.4
133.06430	3.6
133.10132	4.6
134.99631	37.2
135.11684	4.9
137.13216	3.9
143.51955	2.1
145.10138	2.6
146.14612	2.3
147.11696	10.9
151.11243	2.5
153.00673	10.9
182.19408	2.5
182.44589	3.0
194.41583	2.3
268.94061	14.3
274.97345	5.2
279.23138	27.2
286.95236	2.7
292.98569	13.6
294.33047	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	316.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42501	0.5
56.96493	1.4
57.58504	0.5
58.99504	3.1
61.01077	1.2
65.03854	5.5
69.79566	0.5
70.06501	3.0
71.04895	1.4
72.08044	0.7
76.02131	2.9
84.04423	1.4
86.05998	0.7
86.98969	1.1
88.03897	0.6
88.06660	0.6
91.04877	0.6
91.05396	6.3
93.03337	6.9
98.97514	5.4
101.05949	0.9
102.48884	0.6
105.00035	1.5
110.03598	0.8
111.04388	35.7
113.04834	0.7
116.07037	2.4
116.98568	6.9
119.04872	5.2
122.02670	8.5
125.05949	43.0
126.06192	0.6
134.99597	7.6
144.76552	0.8
146.86137	0.7
153.00655	1.0
153.05443	100.0
173.12793	0.6
195.04803	1.2
195.06499	31.5
274.97379	2.6
278.30569	0.6
292.98547	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.9
54.66147	0.7
55.05444	6.3
56.04970	3.6
57.03361	1.0
57.07010	1.8
59.51941	0.6
60.04458	100.0
65.49226	0.5
67.05428	10.8
69.06981	6.3
70.06471	0.9
72.04434	1.4
74.06015	2.7
77.65334	0.7
79.05402	5.8
81.06987	8.9
82.06482	1.2
83.08530	3.6
89.24718	0.8
90.05469	1.3
91.05393	2.9
93.06966	2.7
95.08533	7.9
96.08079	0.8
97.06448	0.7
97.10093	1.1
107.08552	1.3
109.10113	3.8
116.98570	0.7
154.94136	0.8
250.25235	1.2
280.26437	7.1
298.27374	7.1
316.28436	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	316.2842
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.96312	0.5
54.03373	0.5
55.05274	0.5
55.05447	6.8
56.04971	5.0
57.03357	0.9
57.07001	2.3
60.04456	100.0
64.43748	0.5
67.05116	0.8
67.05424	11.7
69.06983	7.4
70.06506	0.8
71.04887	0.7
71.08539	0.8
71.84330	0.7
72.04420	1.2
73.30637	0.6
74.05983	2.9
75.03626	0.5
79.05393	4.1
79.10530	0.5
80.04932	0.8
81.06975	8.8
82.06499	1.0
83.04910	0.6
83.08531	3.8
86.01108	0.5
87.04393	2.3
90.05479	0.6
91.05412	2.5
93.06964	5.0
95.04878	1.0
95.08524	6.6
97.06442	0.9
97.10094	1.2
105.06966	1.0
107.08536	2.3
109.10102	3.0
114.51834	0.6
119.08540	0.7
121.10097	1.2
121.91876	0.5
133.10094	0.7
135.11606	0.9
149.79979	0.6
153.10217	0.6
206.39984	0.6
250.25235	1.0
262.25143	0.9
280.26334	6.3
298.27377	8.6
316.28384	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	317.1018
Annotation	2',4'-dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
50.76153	0.5
52.94488	0.5
55.01803	1.5
55.05450	0.6
67.05413	0.9
68.99681	1.2
71.04891	0.6
79.05386	1.2
81.06962	3.0
81.56349	0.7
81.73169	0.6
86.09624	3.3
89.03820	0.8
89.06637	0.6
91.05393	1.3
92.63905	0.6
93.06953	0.8
95.04889	1.2
99.04400	1.2
109.06474	0.9
111.04379	1.2
117.03322	5.5
121.10114	1.5
122.10426	0.7
124.01539	3.0
125.09577	1.5
126.94405	0.7
137.05898	1.1
145.02832	10.9
146.05984	1.0
149.05937	1.2
153.00673	0.9
167.03357	100.0
168.03680	1.5
170.02048	7.1
177.05443	9.2
241.72276	0.8
261.29846	0.6
317.10095	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	317.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15920	1.0
53.91648	1.0
54.81448	1.3
60.36561	1.2
66.17225	1.1
69.03316	1.2
72.11841	1.1
85.02832	5.1
86.09616	1.7
87.37601	1.1
89.13660	1.1
99.33567	1.1
104.89721	1.1
116.07013	1.4
124.85311	1.1
155.06743	11.4
185.04164	7.9
188.05768	2.9
203.05316	7.6
203.26920	1.3
231.07654	8.4
258.10040	2.9
273.12299	16.8
317.11990	100.0
318.12296	1.4
338.08810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94997	1.6
51.22086	1.5
52.51167	1.6
56.04966	5.1
56.96484	4.1
58.93536	1.8
60.52375	1.8
64.33392	1.9
66.25018	1.9
69.06979	3.7
70.06507	14.1
72.54831	1.7
76.03915	2.7
79.22583	1.7
83.06026	68.9
84.03944	3.7
84.04427	90.9
84.08059	4.9
85.02824	2.8
86.09625	100.0
94.06472	2.7
96.04433	4.2
97.02783	2.8
98.97545	8.0
100.07542	3.8
101.07057	9.8
107.04893	2.6
111.04378	5.1
112.04728	3.7
113.07093	3.0
115.88667	2.2
116.07034	2.6
116.98561	9.5
120.04411	3.2
121.02825	2.2
125.05962	3.1
129.06566	9.7
134.99568	4.8
138.05458	3.9
141.03986	2.9
141.06563	8.3
152.10695	8.4
153.05420	15.3
154.05763	14.8
164.02261	3.7
172.95163	8.6
182.03360	2.6
182.82661	1.9
188.05858	2.2
190.96217	2.9
196.06807	3.8
196.14438	44.6
197.12833	33.4
214.15442	9.2
224.13869	4.6
225.12306	18.1
233.05231	2.1
240.66637	2.1
242.15134	2.3
276.07535	8.5
294.08502	2.4
299.17072	22.3
300.15317	2.3
317.08060	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	317.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81802	4.2
55.05444	6.1
56.96490	23.0
57.07011	67.1
57.07283	4.5
58.06543	3.1
60.08084	7.4
67.05416	15.9
69.07000	3.7
70.06508	6.1
71.08551	29.5
73.11607	2.8
75.72794	2.7
81.06961	5.5
83.08534	3.9
85.10083	16.2
85.37767	2.8
86.09624	36.2
88.07545	7.4
95.08524	20.3
102.09115	13.4
104.10680	55.2
106.08612	18.4
107.41871	3.4
119.20012	3.7
124.99942	15.9
129.23001	2.7
129.52299	3.3
131.00131	19.1
131.52643	3.1
138.52943	100.0
147.53476	16.9
149.01201	12.4
150.03885	3.5
157.53734	23.1
158.51375	3.6
166.54195	22.3
167.02269	3.7
172.95215	11.5
184.07285	47.3
198.96838	4.9
199.93832	4.0
216.97818	12.1
223.99742	6.4
228.97780	4.9
231.92654	4.8
237.49670	3.3
240.09912	12.4
256.00113	5.2
256.02399	13.6
258.00256	7.5
267.64709	5.9
272.99033	14.6
274.03491	7.2
276.65195	19.8
287.08173	3.4
314.02832	16.3
316.32089	26.3
317.20804	46.4
317.32416	17.4
331.21405	4.1
332.03909	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	317.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82887	2.5
57.07003	18.9
64.96865	2.2
68.71612	2.4
69.06986	2.9
69.82171	2.9
70.06519	28.1
71.08531	12.1
78.41058	3.2
80.99048	2.7
85.10133	3.0
88.07552	41.2
93.54255	2.9
100.77033	2.9
102.09103	4.9
106.08620	21.8
122.80958	2.6
227.82359	2.7
316.32019	70.4
317.20834	100.0
317.32324	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	9.1
55.05455	24.5
56.05313	3.8
57.07006	7.3
67.05434	89.5
67.27311	4.0
68.43812	4.5
69.06986	28.8
71.04908	94.2
79.05410	82.2
81.03319	5.4
81.06978	100.0
83.08542	10.2
84.04427	5.6
86.06671	4.8
91.05411	29.6
93.06979	66.3
95.04919	6.8
95.08530	72.1
97.02825	5.0
97.06461	40.0
99.04391	22.5
101.05937	4.6
105.06983	20.3
107.08530	34.9
107.89496	4.6
109.10108	21.6
111.08046	6.2
113.05994	4.7
119.08537	9.8
121.10095	52.7
123.11601	6.6
125.83830	4.7
133.10114	12.1
134.99588	10.2
135.11670	25.9
135.22845	4.2
146.05991	47.9
149.13312	7.0
161.13269	5.4
163.11157	9.3
163.14769	8.5
163.22314	4.7
263.23529	10.3
281.24585	35.9
303.79507	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	318.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45533	0.6
55.01795	1.0
57.03379	1.3
61.02843	3.8
65.03860	1.0
69.03359	6.2
70.06516	1.4
72.08092	1.1
73.02824	1.0
73.68095	0.7
81.03326	4.5
85.02828	25.3
85.47212	0.7
97.02831	6.9
98.97522	1.4
99.04340	1.1
107.04933	0.8
109.02837	1.6
116.98567	1.7
121.02823	100.0
121.06457	6.6
124.73856	0.7
127.03851	1.6
129.21069	0.8
130.06502	0.9
134.99619	3.1
139.03888	59.4
145.04890	1.6
146.05952	1.4
157.07629	0.8
187.07582	1.1
230.07077	0.7
318.12369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2789
Annotation	L 657398
Peak:m/z	Relative Intensity
53.57485	0.3
55.47526	0.3
57.07011	1.5
60.04449	0.7
60.19979	0.3
61.73882	0.4
63.53985	0.4
65.03866	1.6
71.08551	0.6
80.50365	0.3
82.00404	0.3
84.08075	0.5
84.24203	0.4
87.56136	0.4
90.79497	0.3
91.05411	100.0
92.05733	0.7
92.10278	1.6
114.31326	0.3
297.01492	0.4
306.27176	0.4
318.21899	3.4
318.27777	17.8
319.22452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
51.33470	0.7
53.70910	0.7
55.05457	8.6
56.04973	13.9
57.03363	0.9
57.07005	4.8
58.06510	1.2
60.04456	100.0
67.05408	4.8
69.06989	5.3
71.08542	3.9
71.29478	0.7
74.05976	4.9
79.05429	1.1
81.06968	5.0
82.06495	1.0
83.08540	5.2
88.07545	11.6
93.06957	1.7
95.08537	3.6
105.84828	0.9
107.08550	1.1
109.10126	1.2
112.82819	1.0
122.08100	1.3
169.46198	0.9
188.87093	0.9
252.26903	1.4
254.28568	1.1
264.26892	1.4
270.27853	11.0
274.96747	1.1
282.27820	11.0
285.55115	1.0
300.28943	10.0
318.21130	6.1
318.26410	2.1
318.29977	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66025	0.4
57.07011	16.3
60.04423	0.7
65.03960	0.7
70.06509	30.0
70.06888	1.0
71.08537	6.0
76.55602	0.6
84.08049	1.2
85.10081	1.4
86.09658	0.8
88.07552	32.0
102.09131	1.2
106.08604	2.9
114.09124	9.1
118.08607	3.5
132.10170	33.8
150.11220	31.5
155.94638	0.6
169.17557	0.7
231.15199	0.8
242.24615	1.5
274.27365	8.4
318.29956	100.0
319.30359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
50.16284	0.7
50.53500	0.7
54.81535	0.9
57.06741	0.9
57.07009	20.4
58.06521	4.0
66.43336	0.9
70.06507	40.3
71.08546	8.0
85.10094	1.3
86.37573	0.9
88.07549	38.0
102.08486	1.3
102.09120	27.7
146.11801	1.0
173.21490	0.9
256.26291	69.7
300.28915	4.0
318.29947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0999
Annotation	Chlorpromazine
Peak:m/z	Relative Intensity
50.98518	0.9
51.97485	0.9
55.05456	1.0
56.96509	5.0
57.03378	1.2
69.03349	5.4
69.16024	1.0
70.06508	2.3
72.08068	6.8
78.07746	1.1
80.17125	1.1
81.03308	1.3
84.04443	1.6
84.08081	2.6
85.02835	6.8
86.09618	6.7
97.02856	1.2
98.97528	2.5
109.02832	1.5
116.98556	2.6
121.94683	1.0
130.08589	2.0
134.99649	2.1
139.03723	1.1
140.06944	1.1
149.58063	1.1
157.04701	25.1
185.04305	2.8
203.05281	8.0
204.05377	1.4
228.10027	1.3
273.09470	12.3
319.09964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64833	0.7
54.09110	0.7
54.47908	0.7
54.81622	0.8
56.04974	12.5
56.96506	1.2
57.05757	2.2
59.06054	0.9
66.47419	0.9
69.04490	3.7
70.06509	7.1
70.26711	0.8
72.08072	1.6
74.27885	0.8
83.06037	7.0
85.02766	1.1
91.05368	1.0
95.06046	4.2
98.18620	0.8
105.03352	1.1
106.06502	1.5
111.05523	15.7
112.08701	1.9
113.07055	8.3
118.06544	1.2
120.04436	5.2
121.02884	0.9
123.05544	1.8
125.15887	0.9
126.06606	8.5
127.07412	4.4
128.07042	1.5
128.08084	0.9
130.06578	0.9
132.04420	24.7
132.08043	1.8
134.06052	6.9
137.04695	1.8
140.08189	3.6
146.06047	1.2
148.02766	0.8
148.03943	5.1
150.05458	11.5
151.06146	14.2
153.89685	0.9
162.05473	1.7
165.06631	1.4
174.05489	1.3
176.07076	4.1
187.08646	8.9
188.06969	1.1
202.09775	7.9
203.08142	9.3
206.06590	1.1
216.11281	1.1
219.07726	1.2
230.09235	7.0
231.07600	47.6
231.09935	1.6
232.10815	1.8
233.13918	8.7
234.12334	2.1
242.09279	4.1
246.08812	3.4
257.10266	10.0
259.11847	37.9
259.14413	1.7
260.10287	4.6
277.12912	100.0
281.15613	0.9
284.11462	4.7
302.12430	63.0
319.15134	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	319.2243
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
51.43642	1.5
55.55290	1.6
57.07023	1.8
65.78530	1.6
68.83595	1.9
76.04173	1.8
83.53947	1.9
91.26512	1.7
95.08490	1.8
319.22360	100.0
320.22662	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	319.2265
Annotation	CAY10410
Peak:m/z	Relative Intensity
52.77391	1.5
54.80937	1.9
55.05236	1.5
55.05455	19.9
56.96499	3.9
67.05434	34.4
69.06995	29.2
71.09245	1.9
79.05406	29.5
81.06978	100.0
83.08556	17.0
91.05417	28.9
91.64094	2.0
92.10874	6.4
93.06970	73.5
95.04892	4.6
95.08541	63.5
97.10090	10.5
98.97503	7.7
105.06971	34.5
107.08535	49.9
109.10111	36.8
111.11687	3.6
115.27690	1.9
116.98584	9.0
117.06962	13.8
118.99054	2.3
119.04911	2.4
119.08549	39.4
121.06503	2.7
121.10099	19.0
123.04427	2.3
123.11639	16.2
129.60121	2.2
131.08539	17.0
133.10088	37.7
134.99590	10.6
135.08052	12.1
135.11644	33.2
137.05975	9.3
139.07532	2.3
139.11093	2.6
143.08524	8.2
145.10094	19.5
147.08034	2.1
147.11691	16.4
149.05992	4.5
149.13281	20.9
153.00706	2.4
153.09090	8.9
153.12738	4.6
157.10068	4.0
159.08008	2.7
159.11639	15.2
161.09558	14.6
161.13226	10.8
163.07520	3.0
163.14787	8.9
169.10072	3.0
173.09613	2.5
173.13242	8.7
175.11116	2.5
177.00703	8.9
179.10649	9.4
185.13254	2.3
191.10728	9.1
199.14859	2.7
201.12750	3.0
205.12231	12.2
219.13759	2.7
227.98074	2.0
243.21088	11.9
244.84689	2.4
253.19406	2.6
255.21054	9.8
265.19275	2.5
271.20569	13.8
273.22061	3.1
283.20459	9.1
289.21567	2.9
301.21497	35.3
319.22491	19.7
319.61981	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	319.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79720	1.4
53.00238	1.7
55.05441	2.1
55.28263	1.5
57.06736	3.4
57.07015	91.0
59.59580	1.4
61.23692	1.5
69.07006	1.7
71.08550	41.4
76.56300	1.8
81.50096	1.7
85.10121	22.9
89.05958	100.0
92.10303	2.2
94.23373	1.8
107.07020	7.7
111.92434	2.0
127.84604	1.8
133.08598	12.3
136.93307	1.8
151.09642	26.8
168.43936	1.8
172.03479	1.8
184.75674	1.8
277.62866	1.8
291.61292	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84853	4.2
55.05445	29.5
56.96496	9.4
57.03366	42.0
67.05422	34.2
69.06989	67.4
70.02020	4.5
70.23348	4.9
71.01260	9.1
71.08540	24.4
73.06486	5.9
79.05405	63.7
81.03320	18.4
81.06982	100.0
83.04882	8.9
83.08550	6.5
90.64636	4.9
91.05398	35.3
93.06979	50.3
95.08540	28.6
97.06453	27.1
98.97525	12.2
99.08007	24.4
104.36431	4.6
105.06965	30.1
107.04844	6.7
107.08518	8.8
109.06484	5.9
110.97572	6.3
116.98550	22.1
117.07005	7.8
119.08464	6.8
121.10110	60.0
121.51888	5.0
123.82162	5.2
127.03953	5.3
130.06480	35.5
131.08507	10.2
133.10057	7.3
134.99631	23.3
135.08035	6.3
135.11603	6.6
139.11124	11.7
143.07019	28.4
145.08571	25.9
147.11658	7.1
151.11143	30.1
161.08203	6.5
165.07034	5.4
167.10701	36.1
177.00697	7.5
185.11719	22.3
195.08017	25.4
229.03806	8.9
231.17332	6.1
249.18503	24.1
280.74362	5.3
303.95483	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	321.0967
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.00241	1.4
55.01797	1.8
55.05431	1.8
56.96507	1.4
61.83400	1.6
65.03870	23.3
67.05426	9.8
69.03353	5.9
69.06977	3.3
79.05415	5.6
81.06962	5.6
83.04886	1.5
84.04449	1.2
84.08067	1.9
86.09641	2.2
89.23540	1.3
91.05407	26.3
93.03321	14.0
93.06958	2.7
95.04894	6.2
96.92784	1.4
97.02821	100.0
98.97504	2.3
99.53158	1.8
103.05383	1.8
107.04914	1.4
109.10098	1.7
111.04408	3.4
112.11154	1.4
114.02651	1.4
115.05440	6.8
116.98569	2.2
117.06963	2.1
118.06497	1.7
119.04898	38.7
121.02840	8.0
121.10069	2.1
125.02299	3.3
128.06166	1.8
129.06944	6.2
130.06483	18.2
131.04868	2.6
131.06877	2.6
131.08521	6.4
132.08051	5.3
133.10120	1.7
134.99652	1.5
139.03850	2.4
140.04610	2.8
141.06989	14.2
144.05676	15.3
145.02780	2.5
145.06483	6.1
146.05917	2.6
147.04388	74.7
147.11647	1.7
148.04646	1.6
149.02284	12.1
152.06262	1.4
153.07106	1.7
154.06261	7.9
155.04906	2.8
157.06500	2.0
158.07156	2.1
159.04268	1.5
159.08037	12.7
159.09192	3.1
162.05396	1.6
167.03358	21.5
167.04684	2.0
168.05716	3.0
168.52278	1.4
169.06416	6.8
169.07727	1.6
170.05867	1.6
171.04280	1.4
173.05959	1.9
175.03865	1.8
176.78944	1.7
176.82118	1.4
177.00632	2.4
177.05418	1.4
181.04944	7.1
182.11086	1.4
184.04958	1.3
186.06700	1.8
187.07564	12.3
189.05586	1.6
191.07018	1.8
194.04410	1.5
196.46620	1.3
197.05988	6.0
203.06963	2.4
204.04337	1.6
207.06578	2.8
214.06346	2.9
215.06979	6.1
218.09306	5.9
219.06538	16.7
219.10117	6.8
228.04070	1.7
229.08542	9.3
237.02754	1.8
247.09659	10.0
257.07959	5.6
275.08997	23.6
303.08557	7.5
321.09628	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	321.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	17.9
54.81492	1.8
55.01796	2.3
55.05452	44.1
57.03362	9.4
57.41650	1.6
58.62997	1.9
61.02839	2.5
68.99706	3.9
69.03350	100.0
71.04900	17.9
73.06470	88.0
81.03336	76.4
85.02827	69.0
87.00761	28.3
97.02829	31.3
99.04383	28.8
101.05962	38.5
105.01845	3.6
109.02843	40.7
111.04416	2.8
127.03870	59.5
134.99440	1.8
142.02281	2.0
145.04941	2.4
156.30504	1.9
192.78693	2.1
199.09624	4.3
216.68814	2.5
231.04974	10.4
301.62753	2.1
303.10623	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	321.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21694	2.2
55.05440	5.5
56.04974	19.7
57.03365	11.4
58.06526	2.8
60.04455	2.7
68.04948	9.9
69.03340	15.8
69.28143	2.5
70.06135	4.5
70.06509	100.0
70.27650	2.2
71.04918	3.8
72.04427	6.1
72.08061	20.7
73.06453	10.2
74.05976	5.7
75.03119	2.9
76.03905	4.5
81.03336	12.0
81.71042	2.3
84.04411	5.8
84.08076	4.4
85.02840	24.0
86.05514	3.4
86.05995	69.9
87.00732	4.0
88.03906	17.0
94.06505	11.1
97.02779	3.8
97.07704	2.6
98.05994	26.8
99.04378	3.0
100.03888	3.3
100.07546	3.1
101.05968	5.5
102.05471	4.4
103.03875	45.0
108.42568	2.6
109.02820	5.4
111.05490	4.2
112.03910	4.4
112.07555	28.1
114.05480	51.2
116.07041	75.2
118.08539	2.6
122.05969	4.1
123.05415	2.7
127.03867	6.3
130.05005	8.9
130.08638	4.5
132.06552	18.8
139.52840	2.4
140.07036	19.3
141.06532	6.0
144.06497	9.3
158.08089	70.9
161.21832	2.4
162.07507	4.3
174.07570	3.5
176.09203	5.7
177.00648	2.9
178.07056	29.3
188.09148	5.3
202.07059	14.5
206.10150	2.7
232.44147	2.5
239.10312	3.4
259.12796	3.3
275.65717	2.6
303.11844	23.6
321.12738	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42682	0.3
54.81718	0.4
55.05463	3.0
55.05680	0.3
56.96494	0.5
61.93942	0.3
65.03860	0.4
69.03387	0.3
69.06996	5.0
72.68381	0.3
74.02356	0.5
82.06473	0.4
83.08537	0.4
84.08043	0.9
86.09624	30.0
91.05409	0.7
94.98109	0.4
95.08522	0.4
97.02802	0.8
98.97490	0.6
100.11184	3.5
111.04340	0.5
114.37034	0.4
116.04922	0.8
116.98532	0.5
118.06505	2.1
119.04929	0.4
120.04414	0.4
127.40200	0.4
127.79027	0.3
128.04915	6.8
132.10127	0.4
134.06006	3.0
144.04405	2.3
145.02791	0.5
146.05986	100.0
147.06274	0.5
148.03905	4.3
148.48799	0.3
149.04793	0.7
150.12566	0.4
154.40092	0.3
159.34041	0.4
161.07117	0.6
162.05466	79.7
163.05862	0.5
165.02405	0.4
172.03882	0.4
182.15392	0.5
190.04897	4.6
193.07347	0.4
238.10889	0.4
246.63994	0.6
257.12796	1.5
275.13849	17.0
321.12943	3.6
321.21539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06199	0.4
55.17200	0.4
57.04482	2.4
60.90724	0.3
72.08071	8.6
74.07114	0.7
84.95909	0.4
89.03841	3.1
89.10725	0.5
91.05402	0.4
97.07551	0.5
98.05995	0.4
98.97514	0.9
101.50962	0.4
107.04816	0.4
114.10235	3.0
115.08693	0.5
116.98658	0.4
117.03323	13.0
126.53465	0.4
128.11784	10.8
129.10164	2.5
129.11032	0.5
130.06407	0.5
132.04410	1.0
134.03613	0.6
135.04388	0.9
144.04417	0.9
145.02820	74.6
145.14447	0.4
146.03139	0.6
146.05983	1.0
147.04317	0.6
149.05948	5.5
160.03905	1.9
163.03833	0.7
177.05428	100.0
178.05844	0.6
188.03439	0.4
190.08621	0.6
213.06476	0.5
216.78857	0.4
232.12057	1.7
247.14348	4.9
248.12715	6.4
265.15384	1.9
290.14975	0.7
304.16556	1.8
321.19125	30.9
322.19351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46402	1.9
55.05440	5.4
56.96497	4.6
59.66917	2.1
67.05412	9.9
69.06960	2.8
72.08065	49.9
74.02339	11.7
77.34834	2.0
79.05400	15.2
81.06954	5.3
83.04896	4.2
84.08051	4.9
86.96708	2.1
87.48083	2.2
89.03857	2.7
91.05408	34.0
93.06980	9.7
95.04891	3.9
97.02809	2.6
98.97507	8.5
105.06969	45.2
107.04883	5.5
107.08536	9.8
109.06451	3.6
109.10125	2.6
109.40524	2.3
116.98573	11.6
117.03342	16.9
117.26539	2.9
119.04908	10.5
119.08521	12.5
121.10056	3.3
129.13760	2.2
130.08598	10.4
131.08531	18.8
133.06447	11.5
133.10081	38.2
134.12563	2.2
134.99626	11.7
135.04422	2.7
145.02824	62.5
146.06006	20.6
147.04398	11.8
147.06328	17.1
147.11662	20.5
149.05960	5.1
151.03850	15.2
151.11180	2.8
155.11711	2.7
157.10013	3.4
161.05913	2.6
175.03914	2.8
175.11124	24.7
177.05428	100.0
178.05859	3.7
189.74873	2.2
193.12221	3.3
207.06499	3.5
234.11194	39.8
236.65985	2.3
237.02731	3.4
248.12679	2.1
277.00638	9.3
305.18604	5.2
322.21176	29.1
327.32870	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	322.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82304	0.7
52.63857	0.5
52.94626	0.5
56.96491	0.7
72.08068	53.0
84.08045	0.9
89.03831	4.4
91.05395	1.4
98.97501	1.3
112.11172	4.5
116.98565	2.8
117.03329	14.6
119.04886	2.7
129.13797	3.1
134.03580	0.7
134.99637	1.3
135.04399	0.9
139.17926	0.7
145.02820	65.9
146.16479	0.8
147.04349	6.9
149.05917	7.4
151.03868	4.8
156.71049	0.6
176.07050	0.9
177.05429	100.0
178.05798	2.6
219.08865	0.6
234.11215	49.1
235.11633	1.1
251.13863	4.1
252.30544	0.7
277.00769	0.7
305.18521	8.6
322.21191	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	322.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42316	1.9
56.04959	2.3
56.96513	1.9
57.07005	3.7
57.33195	2.1
58.06532	13.8
62.90733	2.3
69.07023	2.1
72.08078	18.0
77.67416	2.7
81.15382	2.2
86.05957	2.9
89.05928	2.6
98.97480	12.0
100.07527	2.9
110.28963	2.6
111.92382	2.5
114.56371	2.6
116.98560	14.3
118.08591	2.9
132.09256	4.6
132.10172	80.7
134.99638	11.2
153.00705	4.0
230.21115	85.3
258.99661	4.0
277.00714	12.7
322.22092	4.2
322.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2716
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
51.16139	5.4
55.05449	5.8
64.32764	6.3
70.25174	5.6
72.04425	11.9
76.27904	6.2
77.26586	5.1
81.07015	7.7
93.06998	7.2
95.08556	5.7
99.92074	5.4
227.07181	5.8
252.91304	6.3
296.17825	6.1
322.27164	100.0
326.84396	6.9
335.05338	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	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03865	1.1
55.05456	9.4
57.03373	1.1
57.06995	1.6
62.06017	100.0
63.66393	1.1
67.05429	25.1
68.79722	1.0
69.06993	6.9
79.05408	23.1
81.06981	24.5
83.08521	1.5
91.05404	11.8
93.06974	24.4
95.08534	25.2
98.97530	9.7
105.06956	5.8
107.08512	9.4
109.10075	8.6
116.98598	9.6
117.06956	2.0
119.08572	2.0
121.10106	5.3
131.08542	3.0
133.10045	1.7
134.99626	7.4
135.11632	2.5
145.10023	2.3
153.00621	1.5
153.67734	1.2
159.09853	1.1
163.14850	1.4
177.16214	1.7
243.21147	1.3
258.99637	2.0
277.00714	8.4
279.75671	1.2
304.26355	1.5
322.27359	9.0
336.78625	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.05454	7.3
57.07024	0.8
62.06017	100.0
65.03886	0.6
67.05077	0.8
67.05428	22.6
69.06985	6.7
70.02864	0.6
71.04925	0.7
79.05409	16.7
81.06975	19.3
83.04919	0.8
83.08546	2.6
91.05412	9.1
93.06969	18.5
95.04904	2.5
95.08531	15.8
95.19301	0.5
97.06442	0.7
98.05981	0.9
98.97515	1.1
105.06951	4.7
107.08542	7.1
108.06654	0.6
109.10116	4.2
116.98557	1.2
117.06963	0.9
119.08533	2.9
121.10101	5.8
123.11668	2.4
131.08536	3.0
133.10068	0.8
135.11652	3.0
145.10091	1.4
147.11615	0.9
149.13298	0.9
161.13234	0.7
163.14746	0.6
173.13164	0.9
213.06700	0.6
233.44180	0.7
261.22150	2.4
277.00821	1.0
278.03909	0.7
293.37585	0.6
304.26038	1.0
322.27399	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	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59136	1.0
55.01819	1.5
55.05444	8.1
62.06018	100.0
64.17479	1.1
65.01376	1.3
67.05430	34.0
69.06985	7.6
74.76267	1.1
75.67268	1.2
76.23724	1.3
79.05405	21.2
81.06976	26.0
83.08521	2.1
91.05410	11.7
92.10312	2.7
93.06972	34.7
95.04856	2.0
95.08534	24.9
98.97513	1.5
104.01640	1.4
105.06970	3.1
107.08535	14.1
109.10120	8.2
116.98549	2.8
117.06949	1.7
119.08564	2.0
121.10113	10.0
131.08546	7.8
134.99611	5.7
135.11674	2.1
145.10114	3.4
147.11661	1.9
149.13242	1.7
243.20853	2.1
261.22018	5.3
261.49478	1.4
277.00885	3.2
322.27368	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	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29947	3.4
52.14688	3.1
55.05440	26.4
55.05677	3.8
57.07003	4.5
57.31544	3.3
58.02887	38.0
67.05421	23.5
69.07003	36.7
71.08541	48.9
73.45639	3.4
79.05411	9.7
81.06987	43.6
83.08517	7.1
91.05379	4.3
92.10973	9.9
93.06968	32.2
95.04916	5.4
95.08540	35.8
97.06480	6.2
99.08028	6.2
105.06977	7.0
107.08524	8.6
109.06464	21.4
109.10114	8.8
118.95416	5.6
119.08482	7.1
133.10089	6.0
135.11703	5.2
140.86696	5.0
157.63301	4.1
165.12737	33.1
167.04175	5.3
179.14302	5.5
213.92148	3.6
224.20026	21.9
247.59996	4.0
291.23135	41.7
305.15488	4.4
322.27338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81661	6.8
65.07135	8.2
109.24554	8.6
110.77276	8.5
135.85889	8.9
233.71358	8.7
310.15128	9.0
323.07388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42201	0.2
54.81454	0.3
56.96499	1.8
70.06510	24.8
79.05399	1.2
91.05395	0.6
93.06973	0.6
97.57655	0.3
103.05410	7.1
105.23526	0.2
107.04906	2.1
112.07555	16.3
116.07040	5.8
120.08058	100.0
121.08375	0.3
131.04897	2.4
140.07060	2.0
144.92453	0.3
146.05978	2.6
149.05981	1.6
158.08105	8.3
162.05467	0.4
166.08595	20.3
178.05388	0.4
189.05830	0.3
196.06413	0.4
222.04376	1.0
240.05371	1.3
264.05399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81863	0.3
69.06992	0.4
70.06511	4.4
71.10212	0.3
72.08084	0.4
84.04433	0.7
84.08073	4.5
85.89323	0.3
86.09634	2.2
89.03835	7.7
89.45914	0.3
91.05370	0.4
98.97532	0.4
116.07047	4.0
116.98521	0.4
117.03330	35.6
119.02838	0.3
127.40187	0.4
129.10213	0.8
130.08598	0.9
134.03603	2.0
135.04436	3.0
145.02824	92.4
146.03162	1.7
147.04439	0.7
147.11275	1.7
149.05960	14.2
161.34634	0.4
162.05484	2.2
163.03853	0.8
173.09288	0.5
177.05434	100.0
178.05804	0.6
196.59755	0.4
260.12766	0.6
282.02762	1.9
323.15948	7.4
341.04297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79060	3.6
56.91093	3.7
63.52160	3.7
66.39227	4.3
67.05411	5.3
81.06956	7.8
93.06960	4.4
95.08554	4.0
131.28247	4.2
164.70880	4.2
170.62082	4.4
189.20122	4.2
199.92679	4.8
248.21541	3.8
260.17651	4.9
265.87735	4.2
303.54950	4.2
323.19528	100.0
337.60498	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	323.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81734	2.7
57.06998	2.6
64.33366	2.5
67.05405	4.2
69.06975	2.8
72.04416	2.5
80.04440	2.7
81.06966	4.2
95.08523	4.4
109.10078	3.8
111.78043	2.4
119.08491	2.7
143.85760	2.4
159.81027	2.8
181.81999	2.7
323.19534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.0
55.01813	1.3
55.05455	14.3
56.04972	11.8
56.96496	1.3
57.03365	1.1
57.06989	1.6
67.05077	1.6
67.05427	39.3
69.06984	11.6
70.06491	6.9
71.04900	5.5
75.88281	0.9
79.05410	21.6
80.04926	1.5
81.06977	37.7
82.06493	14.5
83.04891	2.2
83.08527	6.2
84.08053	5.1
85.06461	6.8
86.09626	1.4
91.05404	26.3
93.06962	27.4
94.06484	1.1
95.04889	2.3
95.08531	30.7
96.08051	5.3
97.06448	5.7
97.10082	1.4
98.09620	31.7
98.97518	2.0
100.07500	1.4
105.06961	24.5
107.04922	1.1
107.08549	14.0
108.08076	1.3
109.06410	1.5
109.10093	6.4
110.06007	2.2
110.09620	10.3
110.20771	0.9
111.04359	1.2
111.08006	5.4
112.11206	1.5
116.98560	4.8
117.06988	1.1
119.08529	22.2
121.10132	2.2
122.09610	5.2
123.08004	2.2
123.10384	2.1
128.07021	4.5
131.08522	1.3
133.10069	15.0
134.09645	1.9
134.99596	3.9
135.11684	8.2
136.11191	4.9
137.09575	4.5
147.04329	2.3
149.13228	5.1
150.12787	2.3
159.11652	1.4
161.13205	20.2
163.56401	1.2
166.15916	1.6
167.14261	6.6
168.17416	1.1
176.14301	1.1
178.15862	33.2
179.14316	2.4
188.73755	1.1
195.18561	4.0
196.16940	26.6
228.06703	1.0
257.04892	1.0
263.60086	1.0
277.00815	2.1
287.21094	1.0
288.19498	2.0
305.22171	39.6
323.23233	100.0
348.12704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94928	7.3
55.05447	20.8
67.05406	70.6
69.06976	14.2
71.08537	51.7
71.57989	10.3
72.04413	7.7
79.05402	59.0
81.03326	15.4
81.06976	93.4
83.04900	9.6
83.95438	9.3
86.46394	9.2
91.05382	21.2
92.04503	8.4
93.06974	100.0
95.04883	16.6
95.08521	67.9
99.08011	17.6
105.06956	9.7
107.08527	40.8
109.10085	11.8
116.19916	9.1
119.08538	11.8
121.10096	15.1
143.11639	9.6
179.14294	61.3
277.21533	18.3
323.19376	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
54.81550	1.8
56.96496	2.2
57.03365	1.8
61.02647	1.5
67.05427	8.7
67.58180	1.5
69.06973	12.2
76.56072	1.5
79.05402	3.7
80.44132	1.6
81.06979	13.2
82.55692	1.8
83.04888	2.6
86.09628	100.0
88.29282	1.7
91.05401	17.0
93.06973	27.7
95.04889	3.1
95.08520	3.8
98.97526	14.6
105.06977	16.9
107.08535	4.5
109.06467	23.6
109.10110	3.0
116.98554	19.5
119.08499	7.8
121.10095	2.3
123.07962	2.1
123.11625	2.1
131.08495	2.6
132.10167	15.0
133.10100	23.1
134.99625	19.7
147.11700	12.8
151.11157	41.3
153.00681	4.3
154.80931	1.9
172.63048	2.2
232.51205	1.9
278.00937	10.0
278.21060	18.2
279.00571	7.1
279.27344	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05461	1.4
56.96489	1.1
57.72044	0.8
67.05419	5.4
69.06985	11.0
79.05406	5.2
81.06974	10.9
83.04897	5.1
86.09624	100.0
86.84911	1.0
91.05420	11.8
92.29771	1.0
93.06973	14.2
95.04889	2.1
95.08540	2.1
98.97519	4.0
105.06969	19.4
107.08525	4.7
109.06444	11.2
109.10094	1.7
111.08014	4.6
116.98581	1.7
119.04817	0.9
119.08528	5.3
121.10089	1.4
123.11695	1.4
128.10699	1.4
129.07002	1.3
131.08531	5.0
132.10153	16.8
133.06487	1.1
133.10081	16.3
134.37439	1.4
134.99643	3.6
147.11700	8.5
149.09650	1.2
151.07544	1.6
151.11157	26.8
167.74234	0.9
172.32176	1.1
175.11179	3.7
193.12175	1.9
194.89380	1.1
203.17917	1.1
260.19974	1.2
278.00671	1.0
278.21063	13.6
306.20642	2.0
324.21521	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	324.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81550	1.1
54.81812	1.0
55.05450	10.5
67.05425	15.0
69.03357	2.2
69.06988	11.8
79.05409	15.2
81.06971	16.2
83.04892	8.2
84.84123	1.4
85.32526	1.1
86.09624	100.0
91.05401	51.8
93.06979	22.9
95.04887	8.6
95.08540	2.6
104.04584	1.4
105.06264	2.6
105.06969	70.7
107.04881	8.4
107.08510	10.7
109.06449	12.7
111.08006	2.5
111.10835	1.6
116.98538	2.3
117.06934	2.3
118.39680	1.3
119.08542	22.1
121.10060	6.5
123.07971	1.7
125.05965	2.1
129.06938	9.4
131.08531	36.0
131.93840	1.3
132.10158	26.6
133.06458	2.8
133.10094	73.3
140.51521	1.3
140.58260	1.6
145.10039	1.6
147.08008	2.9
147.11662	22.4
147.41115	1.4
149.09595	14.1
151.07494	7.2
151.11172	14.5
156.10324	1.3
156.56708	1.5
157.10052	1.9
175.11151	15.6
193.12199	11.6
260.19980	5.0
278.21158	9.1
296.33026	1.7
306.20483	7.0
324.21646	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	324.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82599	1.2
55.05449	8.2
56.96489	2.0
57.03358	1.5
60.92282	1.2
65.03812	1.1
66.64668	1.2
67.05435	10.9
69.03342	1.8
69.06983	11.8
72.08080	2.9
79.05400	19.4
81.03333	2.4
81.06974	15.2
83.04886	6.5
85.02832	2.3
86.09632	100.0
91.05409	57.1
92.10827	1.9
93.06979	17.9
94.04057	1.4
95.04890	8.3
95.08523	5.7
97.02807	1.5
98.97507	5.2
99.04372	1.6
103.05391	1.4
105.06977	67.8
107.04919	7.8
107.08529	8.4
109.06471	11.1
109.10061	1.6
116.98591	7.3
117.03243	1.4
117.06989	2.5
119.08535	18.1
121.06455	1.9
121.10163	3.9
125.05979	2.0
127.03890	1.3
128.06175	1.1
129.06950	9.9
130.48575	1.3
131.08533	25.1
132.10172	23.9
133.02844	6.6
133.06439	5.1
133.10097	60.6
134.99643	7.8
145.02815	6.0
145.10088	1.4
147.04417	3.1
147.08069	2.4
147.11668	22.5
149.09616	13.7
151.03868	2.9
151.07532	6.3
151.11174	11.3
157.10095	5.3
163.03862	6.1
165.12709	1.7
174.05582	1.2
175.11153	14.3
177.00726	1.7
177.05402	3.0
178.05814	2.3
193.12193	9.1
221.04482	2.8
222.04755	4.9
238.14355	1.5
260.20050	5.1
278.21021	2.5
306.20459	2.6
324.21500	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	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.32730	0.5
53.03900	0.7
53.50938	0.5
55.01802	1.5
55.05214	0.8
55.05452	8.9
56.26631	0.5
57.03357	0.8
65.03853	0.6
67.05428	11.0
68.95910	0.7
69.03339	1.4
69.06987	11.9
71.04903	1.1
74.02342	0.8
79.05409	18.8
81.06973	15.5
83.04900	8.5
86.09627	100.0
91.05408	52.3
93.06968	17.9
93.96556	0.6
95.04887	7.3
95.08495	3.6
97.06448	1.3
105.06976	63.1
107.04897	5.8
107.08521	7.6
109.06466	13.3
111.07994	1.4
116.06192	1.0
117.06964	4.9
119.04824	1.0
119.08532	18.0
121.06437	2.7
121.10083	2.9
125.05919	1.3
128.10713	0.6
129.06961	6.8
131.08534	30.2
132.10175	23.1
133.06448	4.3
133.10094	57.0
135.08028	1.2
142.07750	2.8
145.10118	1.4
147.04349	0.8
147.07997	2.9
147.09074	0.7
147.11673	22.0
149.09604	13.0
149.13219	0.7
151.07460	4.9
151.11169	12.3
154.81810	0.7
157.10065	1.6
174.05444	1.3
175.11156	11.1
190.45540	0.8
192.13762	0.8
193.12221	10.5
207.06485	0.7
219.01352	0.7
231.92543	0.6
260.19955	5.3
278.21155	6.4
301.48157	1.0
306.20749	4.7
309.29730	0.7
324.21625	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	324.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68127	1.7
53.53730	1.4
54.81784	1.7
55.01551	2.9
55.01815	82.7
55.05450	35.5
56.96486	2.2
59.12561	1.5
67.05441	2.1
69.06991	2.1
70.06500	1.8
72.04432	27.3
76.56395	1.7
79.05415	2.4
83.04875	2.3
83.08541	27.3
84.04427	100.0
85.02799	2.1
85.50172	1.7
86.09626	3.6
86.41656	1.7
91.05390	7.3
93.07002	2.1
95.08553	1.7
95.87561	1.7
97.02827	3.0
97.06548	1.9
98.09625	3.1
98.97502	3.9
100.07569	2.4
100.11189	81.7
103.05398	1.8
105.06973	4.0
106.99809	2.1
107.04874	2.1
111.04395	3.3
116.29257	1.7
116.98561	7.5
119.04877	2.7
126.09124	3.0
134.99606	7.1
135.04362	4.1
145.02812	7.5
147.04385	10.5
154.12241	97.5
163.03860	21.3
171.14886	2.9
182.15320	14.0
184.88574	1.6
204.72620	1.8
210.14896	12.2
228.15877	4.2
253.18942	2.4
278.01083	2.4
279.00525	2.2
281.18539	53.2
286.18378	2.1
307.75381	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2895
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05444	7.8
57.26741	1.1
62.06018	100.0
67.05426	29.9
67.52169	1.1
69.06985	8.2
71.98720	1.1
74.70692	1.0
79.05420	6.8
81.06972	24.1
83.08530	5.1
91.05408	2.7
92.83245	1.2
93.06991	5.9
95.08537	16.7
105.07011	2.0
107.08537	1.7
109.10120	3.1
123.80598	1.2
132.79308	1.3
238.99913	1.4
271.48215	1.4
307.26355	1.6
324.28976	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	324.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	11.7
57.06997	2.1
62.06015	100.0
67.02689	1.0
67.05424	29.5
69.06992	9.8
70.72163	0.8
72.84937	0.8
79.05389	8.7
81.06972	25.7
83.08533	4.1
87.86877	1.2
91.05402	5.1
93.06979	9.4
94.97733	0.9
95.08533	22.7
97.06457	1.9
97.10083	1.0
98.36802	1.0
105.06997	2.0
107.08531	4.1
109.10106	7.4
119.08521	1.8
121.10104	2.0
131.46239	0.9
133.10121	1.5
137.09576	1.9
165.12724	4.4
198.65520	1.1
198.91722	1.0
221.58411	1.0
263.19907	1.1
301.88742	1.0
306.24390	1.2
306.27899	2.3
307.26294	1.4
324.28864	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	324.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32186	0.8
51.38811	0.6
57.07017	5.6
60.12163	0.7
61.09976	0.9
69.06969	4.8
70.92902	0.8
71.08530	1.9
72.04422	5.4
72.42209	0.8
84.08062	1.0
86.09624	29.6
109.95297	1.0
142.12224	0.9
156.13747	0.9
165.92413	0.8
178.26698	0.7
181.44380	0.8
223.58144	0.9
324.32538	100.0
325.32639	1.0
335.57272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.3258
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
57.07003	6.7
57.42788	0.5
65.96210	0.5
67.96234	0.5
69.06970	4.7
71.08540	2.5
74.46872	0.5
74.47310	0.6
74.51067	0.6
84.08057	1.4
85.10063	0.9
86.09624	50.7
94.13420	0.6
96.68285	0.6
112.07597	0.9
140.10611	0.9
142.12177	1.5
156.13847	0.6
170.15404	0.7
319.61453	0.6
324.32526	100.0
325.32941	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	18.6
57.07009	17.1
63.34203	1.9
66.34396	1.5
67.05422	3.5
69.06991	29.2
71.08176	3.2
71.08546	47.0
72.04375	2.3
79.05376	2.6
79.96822	1.8
83.04913	1.7
83.08537	14.0
85.10088	2.7
86.05972	4.4
88.11198	41.5
93.06965	2.5
97.10098	7.0
98.09682	2.0
106.76843	2.0
107.08525	2.1
114.09140	3.0
124.33823	1.7
142.12196	2.0
156.13826	9.0
163.67656	1.9
170.15309	2.6
261.09955	1.9
324.32544	100.0
325.21069	2.4
325.32901	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03897	0.9
55.01816	0.5
56.96497	1.1
57.03366	2.3
61.02843	2.4
62.22713	0.5
69.03350	4.9
70.06503	0.5
73.02821	2.0
76.52983	0.5
79.05406	0.8
81.03329	2.4
81.06931	0.7
84.08025	0.5
85.02830	14.7
85.86686	0.5
87.04381	0.6
89.03826	5.0
91.05405	9.4
94.09785	0.5
97.02826	5.2
98.97517	2.1
99.04384	0.7
99.08018	0.6
105.06977	0.7
107.04898	2.5
109.02859	2.4
109.10123	0.6
110.07117	0.8
116.98577	0.9
117.03333	8.6
119.04954	0.7
127.03858	3.7
128.98572	0.8
130.06546	0.8
134.99608	1.8
135.04385	23.0
142.61569	0.4
145.02823	15.3
145.03947	0.8
145.04956	1.1
146.05978	0.9
146.44810	0.5
146.99649	2.0
147.04440	0.8
151.03912	2.1
156.26547	0.6
163.03873	100.0
164.04195	2.1
179.03304	0.7
219.01813	0.7
234.53308	0.5
237.02780	3.8
240.57079	0.5
274.74359	0.5
325.17197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
55.01798	1.3
56.96500	2.4
57.03365	4.1
61.02850	2.2
69.03352	7.6
69.11645	1.1
70.06487	2.4
79.05398	1.7
81.03315	2.0
81.06956	2.4
82.11127	0.9
84.04420	1.8
85.02824	14.5
89.03834	8.5
97.02805	4.6
98.97492	1.7
99.04388	1.3
99.08016	1.3
104.90939	1.0
107.04878	5.1
116.07044	1.1
116.98528	4.1
117.03319	12.6
117.09061	6.1
118.07787	1.2
121.87800	1.1
127.03858	5.4
129.54376	1.0
134.99580	2.2
135.04379	31.3
145.02832	15.8
147.04370	4.4
150.19322	1.1
163.03862	100.0
164.04279	1.1
200.43980	1.2
208.94109	1.2
240.38600	1.3
260.04276	1.4
262.67838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	2.7
55.01804	3.5
55.05442	0.5
57.03125	0.8
57.03372	9.9
61.02856	12.0
69.03352	25.0
70.06504	0.7
71.01283	0.6
71.04900	1.1
73.02827	5.1
74.15502	0.6
80.83219	0.6
81.03345	8.0
84.04426	1.0
85.02828	100.0
86.03120	0.6
87.04379	1.5
88.67216	0.5
91.03875	2.8
97.02824	26.9
99.04362	5.1
101.02310	1.1
101.10390	0.6
103.03898	1.0
109.02827	7.8
110.07095	0.8
115.03896	0.8
121.06485	1.1
127.03872	19.6
144.25766	0.7
145.04948	14.9
158.26752	0.7
159.03731	0.6
163.06009	3.9
178.29681	0.7
204.96718	0.6
226.90733	0.7
279.52060	0.7
339.64905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01946	0.7
53.03877	1.9
55.01591	0.8
55.01812	16.0
57.03143	1.0
57.03373	17.9
61.02859	8.3
63.49553	1.1
66.57874	0.8
69.03348	45.3
70.06512	2.4
71.01270	1.9
71.04892	2.3
72.08060	0.9
73.02825	8.8
74.22610	0.8
77.65567	0.9
81.03332	9.1
85.02826	100.0
87.04383	4.5
91.03882	2.1
94.01848	0.9
95.07539	1.2
97.02218	1.8
97.02821	33.2
99.04382	7.8
101.02313	9.6
109.02829	7.4
115.03869	2.4
116.07037	1.5
127.03867	44.2
143.92940	1.1
145.04922	19.9
163.05949	1.8
236.53027	1.3
270.63873	1.0
300.06335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19379	0.2
53.03889	2.7
55.01812	2.9
56.96515	0.4
57.03381	3.2
58.82454	0.2
59.04929	0.2
60.43833	0.2
61.02845	1.3
64.69275	0.2
69.03352	17.0
70.03672	0.3
70.06510	0.4
71.01294	0.3
71.04910	5.3
73.02823	1.3
75.04394	0.4
75.29844	0.2
81.03340	16.7
84.08055	0.3
85.02822	2.6
87.04356	0.3
89.03844	0.4
91.05389	1.4
97.02836	0.6
98.97497	0.4
99.04387	6.2
116.04961	0.5
116.98563	0.3
117.03316	0.5
117.05467	1.2
118.06495	7.0
127.03878	0.4
130.06511	0.4
135.04353	0.5
135.09137	0.3
145.02815	1.1
145.07574	10.8
146.05940	0.3
147.09148	11.0
151.03767	0.3
159.09081	0.4
161.07155	0.3
162.07843	1.2
163.03874	1.2
163.08682	1.9
172.06261	0.4
173.07076	17.0
175.08647	6.5
177.05440	1.4
178.05666	0.3
189.06606	0.3
190.07375	0.3
191.08124	100.0
192.08530	2.1
205.09637	0.4
213.10236	0.4
233.09146	1.0
270.53024	0.3
271.10709	0.4
289.11777	0.6
297.11676	0.2
307.12836	17.3
308.13269	0.4
325.13864	18.3
326.14267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32212	0.7
56.96498	5.7
57.34864	0.8
61.31313	0.7
61.88352	0.7
67.05455	1.0
69.03355	3.9
70.06504	4.8
70.61464	0.8
70.61870	1.0
79.14280	0.7
85.02802	8.4
86.09651	0.8
97.02820	2.0
98.97494	5.9
100.11205	0.9
116.98536	6.9
117.09051	1.3
119.04950	1.2
127.03831	1.4
129.12424	0.8
130.06454	1.1
134.99638	6.4
135.04446	1.5
145.02812	1.5
147.04391	4.0
153.00594	1.0
159.03282	5.2
163.02739	0.8
163.03806	6.7
177.04291	3.3
184.02782	13.7
197.05914	8.3
199.07625	1.8
202.03819	6.7
215.07010	8.0
217.08472	6.0
235.09637	3.6
247.11093	1.2
256.12106	1.6
263.10706	4.0
265.12103	16.3
281.11765	3.4
283.13223	70.5
301.14279	100.0
302.14578	1.8
307.13165	1.4
319.15509	1.1
324.15738	1.8
325.14273	39.5
343.15332	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	325.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65260	2.1
54.79797	2.4
55.01806	3.9
56.96497	5.5
57.03374	21.3
57.83002	2.2
58.70476	2.4
61.02841	6.0
67.05423	2.8
67.06476	2.4
69.03342	18.5
69.19666	2.4
70.06508	16.0
71.04900	6.5
71.08529	9.5
72.08095	2.8
74.52080	2.9
81.03324	3.9
81.06976	10.4
85.02830	65.6
86.09638	3.5
97.02823	17.6
99.08011	31.2
109.02846	3.2
109.06443	4.6
112.74879	3.1
117.09078	100.0
117.09855	5.5
127.03860	5.9
127.07513	4.6
127.11198	4.1
130.06523	11.0
130.77303	3.1
146.05997	4.7
150.05516	5.6
174.02278	3.3
175.01733	3.5
188.07077	4.5
192.03258	3.3
213.12334	4.7
254.64676	2.7
258.62381	2.6
279.06485	4.0
292.13782	5.6
325.04810	6.3
337.35251	2.9
343.05719	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	325.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82236	2.7
55.05461	4.1
56.96507	3.5
57.03382	22.4
59.04918	2.6
61.02847	3.5
62.69166	2.4
63.11038	2.7
65.99207	2.6
69.03348	17.9
70.06516	10.8
71.04901	11.8
71.08543	5.1
75.71774	2.4
76.57072	2.6
79.92721	2.4
81.06967	17.2
85.02824	61.8
97.02815	13.1
99.08009	25.7
109.02813	3.6
109.06480	3.2
116.98560	4.4
117.09084	100.0
118.06497	4.0
119.44190	2.5
127.03876	11.6
127.07487	4.8
130.06506	12.1
144.08046	4.4
146.06017	12.0
150.05490	14.5
174.98541	4.2
188.07057	12.2
213.93329	3.0
233.06616	2.9
261.05505	2.8
279.06476	3.0
284.91116	3.5
292.14102	4.8
309.55087	2.9
325.04526	6.6
343.05951	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	325.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87005	1.5
55.01818	1.7
55.05444	2.2
64.33125	1.5
67.05421	2.9
70.46127	1.5
74.91814	1.6
76.50124	1.8
79.05431	2.8
81.06963	1.7
86.09550	2.1
92.10301	2.7
93.06969	3.7
95.08576	1.6
107.08553	1.7
116.98530	2.2
134.99593	6.1
227.29272	1.5
289.18094	2.2
325.19833	100.0
326.20172	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	325.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54184	3.3
54.42656	3.0
54.44621	3.8
61.74977	3.7
64.32916	3.7
72.32489	3.2
74.18468	3.8
77.42612	4.3
79.78445	3.5
85.46898	4.9
155.16829	3.6
203.19171	3.7
284.98434	4.0
325.21072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11771	2.5
51.01463	2.4
53.41093	2.7
59.42973	3.2
64.11292	3.0
69.07000	3.9
70.98289	2.7
74.57700	3.7
109.71782	3.0
142.68059	3.8
147.45892	3.9
284.29404	4.4
325.21085	100.0
325.27179	13.7
337.79187	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.02845	1.7
51.26187	1.7
53.00237	3.1
55.01809	8.5
55.05455	34.0
57.03352	3.4
57.07014	10.6
59.37513	1.8
65.03788	2.3
67.05424	34.2
67.33918	2.1
69.03336	5.9
69.06987	45.8
71.04900	3.8
71.08560	34.3
73.06412	2.5
79.05415	20.9
81.06978	52.4
83.08538	12.8
85.06480	3.9
91.05390	14.2
92.10951	5.3
92.64004	3.0
93.06973	32.6
95.04907	20.2
95.08540	44.1
97.06406	7.5
97.10076	5.4
99.08026	17.5
105.06969	19.8
107.08534	24.7
109.06463	51.4
109.10084	12.0
119.08521	13.3
119.34162	2.2
121.06470	16.8
121.10076	10.8
123.08056	5.7
123.11671	5.1
131.08511	5.5
133.10127	4.9
135.08026	9.6
139.11099	16.5
141.12692	2.3
145.10063	4.2
147.11589	3.4
149.09616	2.8
149.13226	3.1
161.13235	3.2
163.14833	2.5
165.12704	81.8
177.12724	5.6
181.15807	11.0
202.72026	2.2
204.97955	2.7
251.16350	9.1
261.22028	31.3
279.22958	4.0
289.21585	45.4
307.22607	100.0
307.25867	5.0
308.22900	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.05453	34.4
55.45820	4.7
57.03368	4.7
57.07009	8.6
67.05428	33.7
69.03359	8.0
69.06983	39.9
71.08553	34.2
79.05417	23.6
81.06973	46.4
81.28425	4.7
83.08527	7.5
91.05410	11.5
93.06973	37.4
95.04903	21.5
95.08547	42.6
97.06481	8.5
97.10099	7.4
99.08018	12.6
105.06982	26.4
107.08548	20.2
109.06487	60.3
119.08569	21.2
121.06448	8.0
121.10079	10.5
131.08569	5.9
133.10062	5.7
135.11674	5.4
139.11168	7.5
165.12735	80.8
185.13214	5.3
232.74739	5.3
261.22089	35.9
266.23907	5.0
276.78818	6.6
279.22937	6.6
289.21570	48.9
307.22659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	3.0
54.59325	0.5
55.01803	3.6
55.05454	6.1
56.96498	1.1
57.03381	7.8
61.02858	12.2
67.18118	0.6
69.03011	1.0
69.03352	21.4
70.06497	0.7
71.04903	1.5
73.02822	4.5
75.80296	0.6
79.05396	0.6
81.03341	10.6
83.08544	14.5
85.02828	100.0
87.04385	2.9
91.03880	4.9
91.05372	0.8
97.02235	1.3
97.02827	24.5
99.04387	5.2
101.02277	0.6
101.09599	4.2
103.03875	0.7
109.02831	7.3
110.06001	1.2
116.98579	1.0
117.03339	1.4
119.04893	1.0
120.07998	0.7
121.53255	0.6
127.03880	17.8
145.02824	4.3
145.04939	20.7
146.06024	2.5
147.04396	3.4
147.10129	0.9
163.05954	3.9
164.01579	3.2
177.05455	3.4
191.00354	1.1
234.02257	2.3
239.02255	0.8
243.44469	0.7
267.79111	0.7
301.09210	0.7
320.18912	0.7
326.31042	0.7
346.12711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57323	0.1
70.68164	0.1
75.02610	0.3
76.31229	0.1
77.40888	0.1
81.06965	0.2
93.03659	1.2
95.08557	0.2
100.86816	0.2
134.99203	0.2
137.00839	0.8
139.02362	0.3
153.00310	4.5
155.01886	25.0
156.01878	0.2
156.99821	3.8
160.28873	0.1
171.01369	100.0
172.01309	1.7
172.99294	3.1
173.01820	0.6
178.03452	0.6
185.02957	0.3
189.02425	1.0
189.30035	0.2
194.03008	1.4
219.08568	0.2
221.10205	2.7
237.09694	8.1
259.83804	0.2
260.11288	0.2
277.21475	0.2
285.17114	0.6
303.18011	10.7
304.18167	0.2
327.18185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2324
Annotation	Broussonetine W
Peak:m/z	Relative Intensity
53.03887	0.6
54.02623	0.3
55.01807	0.9
55.05450	2.5
56.96498	0.5
57.05800	0.5
57.07015	0.9
61.14600	0.4
67.05434	8.0
69.03341	0.9
69.06989	10.9
72.56591	0.4
75.16949	0.5
79.05407	12.6
81.06980	8.1
81.69116	0.4
81.93024	0.4
83.04909	9.0
83.08535	0.7
86.09631	100.0
86.95094	0.4
88.07199	0.4
91.05405	12.1
93.06973	21.8
95.04900	2.5
95.08546	4.4
97.06470	2.9
105.06979	6.5
105.52153	0.4
107.04910	0.8
107.08533	11.2
109.06482	2.5
109.10168	0.6
111.08074	0.5
116.98570	0.6
117.06953	3.7
119.08565	3.1
121.06451	1.0
121.10118	3.0
122.05965	0.7
123.08023	1.9
128.10704	1.0
131.08553	5.4
132.10170	25.1
133.10098	13.2
134.99655	0.5
135.08054	2.7
135.11656	7.9
149.13246	6.4
151.11162	1.2
153.12753	2.3
159.11673	4.1
166.12300	3.6
177.12720	5.6
192.13850	0.9
195.13843	0.5
250.65623	0.5
262.21509	3.6
280.22650	2.4
290.21072	4.6
308.22147	11.7
326.23254	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	326.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17393	0.4
52.66965	0.5
55.05446	2.5
57.07001	2.3
59.78244	0.5
60.90052	0.4
67.05430	6.9
69.03331	1.0
69.06992	11.6
71.04925	0.5
79.05412	12.6
81.06979	10.6
83.04900	9.1
86.09630	100.0
91.05404	13.8
92.10905	0.8
93.06976	24.9
95.04898	3.7
95.08533	3.3
97.06454	2.6
105.06987	7.2
107.04897	0.8
107.08543	11.2
109.06467	3.0
116.98589	0.6
117.06967	4.2
119.08533	1.3
121.06468	1.1
121.10088	3.4
123.08047	1.2
123.58134	0.6
128.10663	1.2
131.08571	5.9
131.09398	0.6
132.10176	26.7
133.10098	13.3
135.08012	1.4
135.11679	9.7
149.13248	5.6
151.11160	2.7
153.12711	1.0
159.11679	4.4
177.12698	5.6
262.21564	3.1
280.22650	2.8
308.22125	6.3
326.23129	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	326.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93280	4.8
54.51493	5.2
54.96833	5.4
55.05453	41.5
57.03376	12.9
57.07021	9.2
67.05425	100.0
69.06994	30.7
72.04434	15.0
75.05223	5.6
78.47987	5.8
79.05408	65.6
81.06983	94.2
83.08542	11.6
85.06466	6.8
87.45429	6.5
91.05415	34.3
93.06970	98.6
95.04900	6.4
95.08557	59.7
105.06970	13.5
107.08529	36.9
109.10116	39.7
110.88245	5.8
119.08551	13.0
121.10086	29.0
125.31393	7.0
133.10051	8.1
135.11665	15.7
149.13275	10.9
160.41327	7.1
277.21643	10.5
308.29309	10.7
326.30597	6.7
326.34338	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	326.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81196	5.5
55.05447	26.5
57.07006	12.0
59.41216	3.7
67.05421	31.2
67.68154	3.9
69.06985	26.9
71.08537	42.8
76.55524	5.6
79.05422	19.1
81.06972	55.9
83.04874	4.9
83.08529	9.2
85.52829	4.0
91.05412	5.9
92.91898	4.5
93.06961	42.9
95.04916	8.8
95.08527	35.4
99.08037	35.0
105.06990	8.5
107.08509	36.8
109.06496	9.5
109.10117	9.0
114.36068	5.3
119.08530	9.8
121.10099	8.0
123.11715	5.2
139.91785	5.0
165.12718	39.6
171.79396	4.8
235.16896	5.3
291.23080	85.3
308.25793	100.0
309.24063	27.7
309.47198	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	326.3051
Annotation	Semiplenamide C
Peak:m/z	Relative Intensity
55.05445	31.1
57.07019	62.7
59.17158	4.9
63.24169	4.5
67.05440	38.0
69.06982	31.1
70.06494	6.5
71.08550	50.5
72.04416	8.2
75.64546	5.3
79.05413	5.4
81.06974	54.1
83.08523	23.9
85.06486	4.9
85.10098	7.8
91.05389	5.2
92.72712	4.7
94.14060	5.0
95.08530	29.1
97.10076	9.2
102.85619	5.3
109.10107	12.9
111.49942	4.9
123.11668	6.6
141.12666	8.0
159.62303	5.5
171.39946	5.1
172.82185	5.5
242.89920	5.2
302.46786	5.5
326.30435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3053
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
55.05453	14.9
57.07004	4.4
62.06021	100.0
67.05436	8.3
69.06989	16.2
79.05405	2.3
81.06977	9.4
83.08533	10.1
93.06968	5.5
95.08529	7.3
97.10107	3.7
100.23882	1.0
107.08523	2.3
109.10129	1.8
121.10075	5.1
248.59798	1.1
308.29370	2.1
309.27887	4.8
326.30511	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	326.3052
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
53.00258	0.3
55.05447	2.0
57.07016	20.2
57.93305	0.3
63.39115	0.3
63.71186	0.3
66.07986	0.3
67.05428	2.6
68.00064	0.3
69.06992	1.7
70.06509	9.5
71.08549	11.1
75.91573	0.3
76.56195	0.3
81.06988	2.9
82.63145	0.3
83.08534	2.0
84.00142	0.3
85.10123	4.4
86.05989	0.4
86.39185	0.4
88.07557	100.0
89.07900	0.5
95.08529	3.8
97.10092	0.3
97.33739	0.3
109.10126	1.5
154.69640	0.3
312.52878	0.4
326.30481	38.2
327.30685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14029	0.9
54.82164	1.1
55.05455	2.0
56.86128	1.0
57.03364	1.2
57.07016	13.4
62.67654	1.1
71.04884	1.8
71.08538	8.0
74.05981	6.5
79.96133	1.1
88.07550	18.5
88.11189	1.6
89.71721	1.1
92.10271	1.4
92.99538	1.2
99.91376	1.3
102.09109	11.7
109.53156	1.4
116.10648	1.9
256.26257	35.3
326.34088	100.0
333.74518	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65301	1.6
50.95966	1.7
52.93273	2.0
56.30468	2.2
57.06998	10.0
59.44350	2.1
60.08094	18.7
79.62788	2.6
83.07584	2.0
86.05985	3.7
103.17233	2.2
119.24553	2.4
126.87261	2.3
326.34131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1074
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
50.75657	0.6
55.05438	0.5
56.96495	1.0
59.36785	0.5
62.92989	0.5
65.03855	0.7
69.03345	1.2
70.06499	3.6
72.08041	1.1
76.02164	0.7
79.05408	1.4
84.04408	0.8
85.02811	0.7
91.05400	14.1
97.02809	1.1
98.97514	0.8
107.04889	5.3
110.07110	1.2
116.01646	0.9
116.98562	1.0
119.04884	36.2
120.04432	1.0
122.10048	0.6
130.06529	1.1
134.99591	1.0
147.04382	100.0
148.04755	1.4
162.02130	0.6
165.05438	21.6
165.06760	1.0
165.36259	0.6
190.95332	0.9
207.29343	0.6
208.27673	0.7
261.02744	2.6
262.02853	0.9
327.13980	1.2
327.17627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23652	5.7
54.81942	5.8
55.01825	6.6
55.05443	29.5
57.03367	31.7
65.52696	6.4
67.05426	48.3
69.03347	25.2
69.06983	24.3
71.04910	8.0
73.02819	9.2
74.02346	39.0
79.05407	69.8
81.06963	46.7
83.04887	35.7
83.08566	10.6
85.02825	8.2
87.05526	86.5
88.03908	33.6
89.05949	27.6
91.05402	50.9
92.64384	6.9
93.06982	96.9
95.04876	13.9
95.08527	49.0
97.02795	9.8
97.06459	6.7
97.10160	7.9
105.06965	26.5
107.04880	31.0
107.08531	66.6
109.06410	9.1
116.03355	12.1
117.03237	6.1
117.06969	14.0
119.04912	5.9
119.08545	24.5
121.06460	11.6
121.10043	7.6
123.08015	25.3
125.09595	8.4
130.06468	10.3
131.08534	13.5
133.06055	100.0
133.10074	36.9
134.05995	27.7
135.06320	10.4
135.11661	62.7
145.02829	10.3
147.04382	30.4
149.13260	14.7
151.11172	7.9
152.07047	31.2
153.07443	9.3
162.05423	6.9
163.03940	10.0
177.12607	45.6
190.95317	8.8
221.15453	11.4
249.55266	6.3
273.18405	7.7
282.02838	11.4
292.15369	15.4
309.82947	6.6
327.21436	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	327.2164
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
52.96022	2.3
53.00230	3.9
53.03880	4.1
55.01799	3.8
55.05449	24.9
56.96495	3.1
57.06990	5.3
67.05424	43.0
69.03338	2.9
69.06982	25.6
71.01273	2.7
71.04910	5.0
71.08548	100.0
75.15490	2.4
79.05417	26.2
79.86700	2.6
81.03339	3.2
81.06986	53.3
83.04893	6.1
83.08543	3.4
85.56721	2.4
91.05412	32.2
92.10949	4.8
93.06964	29.8
95.04885	9.4
95.08533	35.2
97.02819	2.8
97.06449	4.7
97.10078	3.9
98.98376	3.9
99.08023	50.4
101.99961	2.5
102.44474	2.7
105.06935	20.3
107.04881	3.9
107.08539	16.5
109.06440	4.2
109.10108	6.6
111.04391	11.2
116.98526	3.4
119.08561	19.7
119.57700	2.6
121.10073	17.2
123.04403	4.7
123.08054	4.7
123.11584	4.1
129.07007	3.5
131.08527	13.7
133.10080	14.2
134.09521	2.5
135.07999	4.1
135.11646	3.8
137.13266	3.2
139.11153	2.9
141.09056	26.0
142.89560	2.5
143.08710	2.7
145.10028	3.6
147.11639	15.4
149.09543	4.8
165.12704	11.7
167.10643	47.4
174.03996	3.2
175.11220	4.9
177.09093	4.3
179.10715	3.4
181.12248	3.8
183.13889	3.6
189.23383	3.1
190.95477	3.5
193.12209	39.6
208.96443	5.8
211.13205	38.9
232.96486	2.8
238.29691	3.2
263.19897	5.0
273.18304	3.4
275.20108	3.0
291.19516	90.1
309.20660	23.0
328.18884	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	327.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	10.9
55.05441	33.7
56.96515	7.2
57.03366	32.3
59.04931	7.5
60.79746	7.1
67.05418	87.0
69.06984	47.0
71.04910	35.1
79.05406	89.1
81.03312	30.8
81.06970	100.0
83.04913	11.8
83.08539	16.9
83.81678	7.1
85.06475	12.8
85.37487	8.6
91.05415	60.3
92.10569	69.7
93.06950	76.0
95.04887	53.2
95.08531	45.0
97.06455	74.0
97.10092	10.4
99.08026	12.2
105.06980	33.6
107.04900	17.7
107.08523	47.1
109.06480	31.6
109.10143	18.7
117.03285	8.8
117.06934	14.2
119.08504	29.7
120.08021	10.6
121.06470	13.6
121.10093	15.9
123.07999	11.9
131.08545	13.4
133.10091	31.2
135.08095	10.3
145.02809	18.8
145.10094	15.6
147.11673	11.7
159.11681	8.9
177.05440	13.8
207.13678	9.8
208.96500	9.8
213.14819	10.2
220.44666	9.5
223.13246	8.8
233.51851	8.5
251.16032	8.9
273.18512	35.1
291.19351	57.3
309.20276	9.3
311.26221	8.2
318.76038	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	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80454	3.1
53.03879	7.7
55.01802	7.7
55.05458	28.7
57.07005	8.6
67.05434	52.7
68.49724	3.0
69.06969	33.4
79.05404	28.9
81.06967	42.2
83.08540	6.3
84.54208	3.4
91.05403	62.2
93.06959	91.0
94.31223	3.8
95.04892	100.0
95.08529	70.4
97.06454	15.8
102.21384	3.7
105.04468	5.0
105.06966	88.9
107.08530	35.5
109.06484	7.0
109.10111	17.4
109.58918	3.7
111.11649	3.5
117.06968	21.1
118.42593	3.6
119.08527	69.0
121.06458	17.4
121.10089	32.6
123.08028	8.6
125.09517	4.1
128.06200	4.2
129.06967	15.4
130.07764	6.6
131.08556	48.3
133.10107	45.7
135.07994	5.5
135.11665	5.4
142.07741	8.7
143.08507	23.3
145.10121	42.5
147.11685	15.5
152.06186	23.9
153.06967	24.0
155.08540	5.0
156.09219	5.9
157.10094	36.4
159.11646	28.7
161.09575	4.8
161.13220	6.0
168.05643	4.4
169.10059	19.4
171.11664	17.2
173.13174	5.5
175.14757	6.9
181.10081	4.5
182.10776	6.4
183.11566	7.5
185.13225	4.8
187.14789	7.9
204.97816	6.4
209.13083	4.6
211.14691	4.4
228.09172	6.6
233.03500	22.4
251.04562	8.5
309.21884	5.7
327.07755	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	9.8
55.01805	5.5
55.05451	59.1
56.96503	5.8
57.03373	8.2
57.07006	5.1
60.04456	4.5
62.54442	3.5
67.05080	4.7
67.05428	100.0
69.06987	62.0
69.68233	4.1
69.94435	4.9
71.04897	8.7
71.08533	19.0
74.05972	22.3
74.84859	4.2
77.60990	4.5
79.05406	57.7
79.98715	4.3
81.03335	47.7
81.06987	70.6
83.04894	9.9
83.08537	8.4
91.05402	35.7
92.10239	7.5
93.06974	81.4
95.04895	53.3
95.08538	77.5
97.06438	18.2
97.10082	16.9
99.08021	16.5
105.06973	41.4
107.08543	32.2
109.06421	8.1
109.10101	37.9
117.06924	8.6
119.08544	37.6
121.10117	32.0
123.07980	8.7
123.11589	4.4
129.06932	8.5
131.08511	17.1
133.10091	20.3
135.11623	9.4
137.09573	9.5
139.11061	4.4
142.07765	6.3
143.08507	16.6
145.10092	20.6
147.11681	7.9
151.11150	31.7
157.10123	8.6
159.11647	10.0
161.13235	6.1
169.10019	5.5
171.11632	5.5
173.13240	4.5
230.52800	4.4
277.21555	46.2
286.13632	5.5
295.22659	98.8
327.23224	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	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	18.0
57.03382	1.7
57.06992	2.5
62.07187	1.3
67.05431	17.8
69.03316	1.5
69.06998	19.4
71.04922	2.0
71.08551	34.0
71.46476	1.4
79.05405	8.6
81.06512	1.9
81.06978	40.0
83.08529	6.5
91.05415	5.9
93.06432	2.3
93.06973	26.7
95.04893	5.8
95.08532	25.1
95.09106	2.8
97.06449	2.1
97.10089	2.7
99.08037	15.8
105.06971	10.4
107.08559	14.2
109.06457	9.8
109.10086	11.2
111.08048	2.4
112.37873	1.4
119.08543	8.6
121.10083	6.2
123.08006	2.5
123.11662	2.0
126.06761	1.4
129.77779	1.4
131.09447	1.6
133.10136	2.6
135.11656	2.5
147.11633	2.1
149.35661	1.5
153.12672	1.8
165.12764	13.6
175.14732	1.9
193.15875	3.6
197.67577	2.0
235.16951	2.1
291.23019	20.0
309.20621	3.5
309.24182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92545	1.1
53.03876	8.8
53.27273	1.1
55.01801	8.0
55.05450	32.6
56.32102	1.3
57.03360	8.0
57.03611	1.1
57.06995	8.0
67.05426	61.3
69.03340	6.5
69.06988	35.5
71.04891	6.6
71.08546	25.3
73.06464	1.6
74.05990	1.8
79.05406	40.2
81.03334	33.9
81.06973	40.7
82.57903	1.1
83.04891	13.6
83.08526	8.4
85.06458	3.0
85.10093	1.8
91.05415	21.0
92.58937	1.2
93.06969	41.6
95.04898	29.7
95.08531	32.2
97.06450	9.0
97.10084	7.4
99.08017	10.7
105.06973	13.0
107.04928	1.8
107.08531	17.1
109.06465	6.5
109.10111	20.7
113.09618	1.5
117.06951	2.3
119.08535	10.1
121.10104	16.9
123.08004	2.2
123.11655	2.6
124.20288	1.5
125.09620	1.5
131.08487	3.1
133.10075	8.1
135.11702	5.8
137.09595	13.9
139.11136	3.2
145.10120	1.4
147.11687	3.0
149.13237	2.1
151.11143	24.1
159.03912	1.3
161.13177	2.1
163.11107	1.8
165.12708	2.8
179.14262	1.8
179.96510	1.5
194.57314	1.2
221.15225	1.9
277.21576	56.6
281.56982	1.5
295.22604	100.0
296.22903	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	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	1.6
53.03882	3.0
55.01812	25.4
55.05452	45.9
57.03368	2.1
57.06999	8.9
59.04914	1.8
67.05429	100.0
69.03343	3.7
69.06989	44.9
71.04908	34.1
79.05025	2.6
79.05415	43.2
81.03333	11.8
81.06976	54.6
81.64454	1.8
83.04876	10.8
83.08515	13.3
85.06457	2.9
85.10113	2.2
91.05401	31.3
93.06974	56.1
95.04900	18.4
95.08539	55.8
97.06468	15.0
97.10098	11.7
97.80003	1.7
101.54743	2.0
105.06969	19.0
107.08539	27.1
109.06468	3.9
109.10107	40.1
111.07996	7.8
117.07034	2.6
119.08543	21.3
121.10074	13.7
123.07977	3.7
125.09641	3.6
129.05994	1.6
129.06926	3.5
131.08522	2.2
133.10059	9.4
135.11646	8.3
137.09590	10.2
139.11150	8.4
141.15472	2.3
147.11658	7.9
149.13249	7.4
151.11186	2.2
161.09599	1.9
161.13290	6.1
163.14772	1.8
165.12657	7.7
171.11621	2.0
173.11647	8.2
175.14749	3.1
175.18907	1.9
178.64462	1.7
181.15775	1.7
231.21045	2.8
232.26018	1.6
249.22087	3.4
259.20581	2.3
277.21552	35.7
295.22650	8.5
309.24225	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	328.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.6
55.01817	2.1
56.35807	1.0
56.96487	1.4
57.03382	5.0
58.37423	1.1
59.03674	2.8
59.04940	1.7
59.23273	1.2
69.03349	20.0
70.06509	3.1
71.04904	2.0
72.04427	1.4
73.02820	2.1
79.05419	4.7
81.03318	4.4
81.48470	1.1
83.01228	2.1
84.04430	2.5
85.02829	17.2
85.06472	1.8
87.03132	21.9
91.05409	25.9
96.04463	1.5
97.02811	16.4
99.04396	2.7
100.03915	1.6
103.05392	23.6
103.07488	2.1
105.06977	23.4
107.04910	5.2
112.03916	14.8
114.05474	1.6
115.05491	1.4
117.05679	1.9
117.06925	2.0
118.06462	1.2
120.08059	100.0
127.03863	11.9
129.06987	6.1
130.06506	16.6
131.04938	7.2
132.08058	75.7
134.09645	7.9
138.15947	1.2
139.20023	1.4
143.05717	9.3
144.08052	14.2
145.17613	1.4
146.09660	1.5
149.05968	1.3
149.08055	1.6
150.05470	5.7
156.08072	6.7
158.09660	1.4
161.06827	5.6
162.09102	11.1
166.08644	19.1
171.08092	1.5
178.08611	8.5
186.09236	1.9
198.09077	5.6
202.08714	1.4
244.09621	7.2
246.11183	12.8
253.99590	1.8
264.12262	37.5
282.13278	5.1
292.11703	34.6
310.12802	80.9
310.16449	2.9
311.13141	2.1
328.13904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	7.9
55.05443	30.7
57.07014	7.2
65.66399	4.3
67.05123	6.8
67.05432	97.5
69.06978	33.0
71.08546	63.0
74.05980	6.0
76.56267	4.6
79.05414	48.2
81.03330	9.5
81.06975	100.0
83.04899	27.0
83.08535	22.7
85.06483	6.4
91.05402	48.2
91.05870	4.5
93.06972	60.9
93.10258	4.5
95.04884	30.6
95.08521	49.8
97.06477	12.0
99.08017	31.9
105.06969	42.0
107.08551	48.6
109.06477	10.0
109.10115	56.5
113.02512	5.0
116.10668	24.9
117.06950	21.9
119.08517	22.4
121.10123	9.9
123.08032	9.1
123.11638	6.4
131.08517	11.8
133.10104	46.5
135.11630	6.8
137.09500	6.3
144.27562	5.1
145.10065	8.7
149.13272	7.1
151.11143	11.3
159.11699	9.9
163.11232	4.2
169.12231	5.2
177.12694	84.7
178.86456	5.3
195.13742	29.9
275.20016	26.0
293.21045	56.7
317.88794	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15402	2.7
53.03886	6.1
54.81457	3.1
55.01818	6.5
55.05452	58.2
57.03376	35.0
57.07015	3.3
61.43491	2.9
61.92288	2.8
65.03880	4.9
67.05425	100.0
69.03351	4.2
69.06986	33.5
71.04910	14.5
79.05407	92.4
81.03344	5.0
81.06974	92.2
81.22038	3.7
83.04897	19.1
83.08539	24.1
83.13752	3.3
85.06503	4.1
91.05400	67.6
92.10271	10.8
93.06973	74.7
93.83189	3.2
95.04889	22.6
95.08531	46.2
97.06474	14.8
97.10102	29.1
98.85126	3.2
105.06976	49.0
107.04880	3.6
107.08531	61.5
109.06441	8.4
109.10101	29.3
111.08030	7.1
115.49380	3.4
117.06949	14.2
119.08539	31.3
121.10081	22.0
123.08012	4.7
125.09593	19.5
129.06926	3.8
131.08536	22.0
133.10094	18.3
135.11650	6.8
137.05934	14.0
137.09612	7.1
143.08578	4.3
145.10110	20.8
147.11632	12.4
159.11694	7.5
173.11765	5.6
189.11171	4.7
211.13277	4.6
233.15477	3.9
257.18872	4.1
275.19952	34.2
328.18716	19.4
339.74435	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91172	2.1
53.03879	2.9
55.01820	11.1
55.05459	84.0
55.40025	2.3
57.03381	21.3
57.07002	2.4
57.14146	2.1
59.04939	2.9
64.04084	2.3
65.03860	2.4
67.05434	100.0
67.38609	2.1
69.03354	11.7
69.06996	31.1
70.22945	2.2
71.02784	2.1
71.04932	8.3
79.05416	53.6
81.03339	5.4
81.06981	58.7
83.04909	14.1
83.08543	44.8
85.06487	2.2
91.05405	52.2
93.06986	53.4
95.04881	12.9
95.08540	50.8
97.06512	4.3
97.10104	64.0
105.06987	41.4
105.24946	2.4
107.04939	5.1
107.08552	34.0
109.06498	12.2
109.10124	23.0
110.11361	2.1
117.06985	15.8
119.08568	24.5
121.06477	3.0
121.10123	12.0
123.08035	3.1
125.09607	40.7
129.06985	2.6
131.08572	27.4
133.10115	14.2
135.08031	5.4
135.11652	8.6
137.09613	4.2
143.08571	3.3
145.10100	9.1
147.11708	10.9
149.09613	3.1
159.11665	10.4
161.13235	2.9
163.11070	2.7
173.11745	4.0
189.11188	38.1
201.16371	3.1
212.40178	2.5
239.17848	3.5
257.19022	3.1
275.19955	35.1
293.21027	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57914	2.2
53.03867	4.5
53.41729	3.2
55.01801	3.3
55.05446	34.6
55.51595	3.0
57.03369	18.8
57.06998	3.5
60.52044	2.4
65.03869	3.1
67.05079	4.0
67.05429	70.0
68.16621	2.3
69.06980	17.2
71.04902	13.0
79.04956	4.4
79.05406	83.6
81.06976	50.6
83.04902	5.2
83.08533	7.1
85.06469	6.2
91.05402	86.3
93.06972	100.0
95.04890	7.5
95.08527	46.9
97.06451	3.7
97.10081	5.7
100.15299	2.8
105.06963	79.3
105.33671	2.7
107.08534	64.9
109.06489	5.8
109.10117	12.1
117.06960	18.3
119.08536	44.2
121.06483	3.6
121.10104	14.3
129.06972	12.8
131.08548	26.5
133.10100	23.1
145.10110	17.3
147.11650	11.7
149.09583	4.4
157.10098	6.1
159.11679	13.2
161.13223	7.2
169.10161	4.1
171.11600	3.9
173.13187	5.6
185.13229	16.0
208.36411	3.5
210.04437	3.2
221.15375	3.4
234.80257	2.9
235.16910	3.3
257.19016	6.1
275.19916	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38641	3.8
55.01816	6.4
55.05448	100.0
56.96497	10.3
57.03391	4.9
57.06974	3.1
63.86929	3.8
67.05433	49.5
68.98145	4.1
69.03355	7.6
69.06989	57.1
71.04909	4.2
77.06513	3.8
79.05410	55.8
81.06971	64.5
83.08530	55.1
91.05402	33.7
93.06980	42.3
93.73348	4.4
95.04900	7.0
95.08524	27.1
97.10090	98.5
98.97517	4.9
104.99226	5.7
105.06966	34.5
107.08529	86.1
109.06429	6.9
109.10079	10.9
109.11854	4.4
110.05964	5.2
117.06986	8.1
119.08527	27.9
121.10054	7.4
123.07999	4.7
125.09583	60.9
125.82914	4.8
131.08548	8.0
133.10065	17.9
135.08003	5.5
139.34381	4.8
145.10095	19.4
147.11716	8.0
149.09578	5.5
153.09058	5.5
163.11278	4.9
173.11681	5.9
189.11192	58.6
190.95334	5.0
208.96429	6.9
232.96321	5.2
247.09166	4.7
257.18848	5.0
275.20068	66.0
293.21063	21.5
329.17059	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	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	2.1
53.03876	3.5
55.01788	6.9
55.05194	1.4
55.05450	40.1
57.03369	11.8
57.06997	3.4
59.04923	1.8
65.03855	3.1
67.05423	100.0
67.05784	3.6
69.03348	10.7
69.06992	35.0
71.04892	6.8
79.05403	87.6
81.03345	12.5
81.06509	3.0
81.06970	78.6
83.04882	12.6
83.08536	16.2
85.06457	2.9
86.24617	1.5
91.05399	69.7
93.06968	90.2
95.04893	29.5
95.08528	50.9
97.06458	12.9
97.10079	7.8
98.98392	20.9
103.05412	2.1
104.99229	1.5
105.06969	55.5
105.19402	1.6
107.04868	2.4
107.08544	35.1
109.06458	8.0
109.10108	29.1
111.07996	5.5
116.99420	1.7
117.06967	15.2
119.08534	34.2
121.06461	2.1
121.10098	30.2
123.08029	7.0
123.11650	5.6
125.09601	7.7
129.06940	3.1
131.08505	19.2
133.06430	1.7
133.10110	25.3
135.07994	3.1
135.11638	10.2
137.09581	9.4
141.06944	1.8
143.08594	2.8
145.10072	9.6
147.11644	14.9
149.09608	3.7
149.13216	2.1
157.10155	2.2
159.11644	7.4
163.08878	1.6
171.11453	1.8
173.11627	6.4
173.13025	1.7
177.12512	1.6
189.11124	2.3
190.95279	1.9
235.16719	3.0
239.27370	1.5
257.18866	1.7
275.19946	21.9
293.20981	3.6
318.56174	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	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	7.2
55.01802	2.3
55.05452	38.8
57.03372	22.3
57.07023	2.2
61.66760	1.4
65.03847	2.8
67.05070	3.0
67.05424	62.1
69.03345	2.6
69.06989	48.0
71.04903	7.5
71.08553	4.2
79.05408	83.9
80.62508	1.6
81.03339	3.7
81.06973	65.4
83.04895	8.8
83.08540	15.3
85.06471	6.9
89.03864	2.5
90.12032	2.0
91.05407	79.7
93.06969	100.0
93.61903	1.8
95.04871	16.6
95.08532	43.9
96.58961	1.9
97.06458	8.9
97.10099	12.6
99.08049	3.2
105.06972	70.9
107.04869	2.3
107.08533	54.9
109.06478	9.9
109.10098	14.7
111.08066	2.2
113.06001	2.1
117.06965	17.0
119.08537	42.5
121.10090	17.6
123.08052	3.4
125.09585	10.3
129.06987	11.2
131.08531	24.7
133.10080	27.3
135.08035	7.9
135.11627	6.9
139.11134	1.9
141.06920	2.2
143.08551	8.9
145.02850	3.1
145.10110	22.6
147.11674	15.0
149.09601	10.5
151.11168	3.3
157.10098	4.2
159.11710	13.2
161.13226	10.6
163.11166	6.6
173.13181	6.5
175.11194	2.2
177.12770	2.6
185.13229	13.8
189.11171	3.7
190.95389	1.8
197.13246	2.3
201.16539	2.4
203.14305	9.4
219.17476	2.7
221.15253	13.2
239.18024	2.0
257.18961	8.9
275.19989	49.7
293.21048	6.0
311.22128	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	328.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32355	0.5
55.05451	5.1
56.04975	6.3
56.96493	0.8
57.07010	0.7
60.04169	1.0
60.04456	24.4
63.72813	0.5
65.03867	0.5
67.05433	10.0
68.04935	0.9
69.06995	4.2
70.06482	0.6
72.04417	2.7
74.05993	100.0
79.05400	2.9
81.06970	7.6
82.06490	2.2
83.08546	0.8
84.58337	0.5
86.05962	2.0
91.05408	1.3
93.06960	3.1
94.06460	1.0
95.08521	4.8
97.10107	0.7
105.06934	0.9
107.08537	1.2
109.10091	2.2
121.10110	0.9
129.01938	0.6
130.08612	0.8
133.10062	0.7
134.24170	0.5
140.72557	0.5
142.84798	0.6
204.14305	0.5
270.43268	0.6
310.27518	0.6
328.28491	10.8
335.18768	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	328.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59115	0.2
53.11852	0.3
55.01812	0.4
55.04485	0.3
55.05454	3.8
56.04975	7.5
57.07006	1.8
60.04457	23.7
61.09697	0.3
67.05423	7.5
67.67513	0.3
68.04951	1.2
69.06982	3.8
70.06500	0.8
71.08540	0.4
72.04422	2.8
72.92416	0.3
74.05990	100.0
79.05420	3.9
80.04923	0.5
81.06970	5.4
82.06508	1.7
83.08537	1.6
86.05996	1.6
91.05415	2.8
93.06966	3.7
94.06474	0.4
95.04919	0.6
95.08530	4.9
97.06481	0.5
97.10108	0.6
99.08049	0.4
105.06968	1.3
107.08540	1.7
109.10126	1.5
119.08544	0.7
121.10101	0.4
126.62745	0.4
129.81252	0.3
163.62741	0.3
218.55043	0.3
280.26355	1.4
292.26297	0.4
310.27380	1.2
328.28409	10.7
328.32190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67454	1.3
55.05437	4.1
57.06776	2.5
57.07011	37.7
58.04496	1.5
64.40954	1.4
65.98120	1.6
67.05420	9.7
69.06990	3.6
71.08553	19.9
81.06958	8.7
83.08498	2.3
85.10096	7.7
90.05477	100.0
95.08533	16.0
109.10090	2.4
122.88213	1.9
126.46333	1.8
181.50851	1.7
341.29401	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29604	3.1
54.13075	3.6
54.52723	3.5
55.01801	10.7
55.05453	53.8
56.05782	5.9
57.03369	6.6
57.07014	7.5
67.05425	100.0
68.05770	6.0
69.03320	6.6
69.06973	23.6
71.04889	5.9
79.05405	68.0
80.05716	6.0
81.03310	6.1
81.06981	59.5
82.07321	5.8
83.04872	19.2
83.08537	23.9
84.80661	3.9
85.06450	5.7
91.05394	42.7
92.05716	4.8
93.06979	73.5
94.07335	6.3
95.04877	16.1
95.08527	54.5
97.10088	8.7
100.07712	4.7
104.99176	6.2
105.06951	30.5
105.10879	4.8
107.08542	35.2
108.08878	5.5
109.10094	45.5
111.07980	4.1
113.09593	8.0
115.00691	3.9
117.06944	5.3
119.08525	28.9
121.10053	33.1
125.09548	10.9
131.08546	8.7
133.10095	18.5
134.10442	6.3
135.11670	5.6
139.11136	7.1
140.70924	5.5
149.09543	6.1
151.11229	4.9
173.11678	23.5
182.76143	4.5
203.14256	5.4
219.97867	4.9
265.72498	4.5
277.21320	4.9
293.21130	10.8
311.21967	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	329.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	3.9
54.81559	4.4
55.01803	17.0
55.05450	59.5
57.03376	48.6
57.07003	4.6
67.05431	81.9
69.06991	69.5
71.04910	34.2
72.29298	4.1
75.63164	3.9
77.65835	4.0
79.05403	76.0
81.03316	9.7
81.06973	100.0
83.04900	9.6
83.08530	18.0
85.06453	6.1
91.05401	56.7
93.06961	73.8
93.90956	3.7
95.04918	30.4
95.08538	80.0
97.06476	22.4
97.10091	20.1
99.08042	19.1
100.46490	4.3
102.53913	3.9
105.06980	58.4
107.04937	8.9
107.08546	53.5
109.06461	66.6
109.10120	20.3
111.08035	7.3
111.11732	4.6
115.05423	4.4
115.07539	7.7
117.06961	10.1
119.08560	43.9
121.06407	4.6
121.10108	33.2
122.81792	4.3
123.08007	27.3
125.09573	7.2
129.06990	6.5
131.08504	19.7
133.10089	26.6
135.11630	4.8
137.09589	8.4
145.10081	16.9
147.11713	8.0
149.09608	5.1
151.11159	4.8
159.11650	8.5
161.13202	22.9
171.11646	7.0
203.14310	7.4
219.17432	8.7
257.18802	6.8
275.19989	63.9
293.21045	41.4
329.12628	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2322
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.11015	2.7
53.32022	2.5
54.81634	2.7
55.01810	4.5
55.05461	37.2
56.96490	5.5
57.03370	2.9
57.67059	2.4
62.37442	3.2
65.03850	3.1
67.05084	3.2
67.05430	83.1
69.06996	33.0
71.04907	7.0
71.08536	4.6
79.05412	64.3
81.03317	2.7
81.06519	3.8
81.06982	70.8
83.04903	5.7
83.08540	13.4
84.04449	4.6
91.05404	68.0
93.06981	100.0
93.07551	3.4
95.04877	7.4
95.08537	62.1
97.06458	15.6
97.10117	12.0
105.06979	53.7
107.04884	5.9
107.08546	35.9
109.06469	10.8
109.10100	20.4
111.08060	4.6
117.06955	20.7
119.08532	42.4
121.06480	4.6
121.10091	26.0
123.08018	7.7
129.06938	3.8
131.08536	29.4
133.10101	39.9
135.08014	7.2
135.11646	16.2
137.09596	4.7
145.00313	3.2
145.10097	19.5
147.11697	6.6
149.09608	7.8
151.11160	7.8
159.11671	14.5
161.13245	4.8
163.11171	6.9
173.13193	7.6
179.10503	2.9
235.16895	15.0
239.17883	5.2
257.18924	13.7
275.19992	79.0
293.20898	6.2
295.74860	3.6
349.17856	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	330.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11075	1.0
55.01809	10.7
56.04963	6.7
57.03370	22.8
59.04936	1.3
60.04455	1.5
61.01081	4.5
61.02849	18.8
62.35733	1.1
67.86127	1.3
69.03348	30.9
70.06503	6.7
70.15660	1.1
71.01272	2.5
71.04900	2.4
72.08072	2.2
73.02825	100.0
81.03326	6.5
83.04896	2.3
84.04440	5.4
85.02823	79.7
86.05994	8.5
87.04385	7.2
87.25307	1.0
91.03895	1.2
97.02818	40.9
99.04386	5.8
101.02345	1.5
102.05472	2.1
103.03868	2.1
104.05264	8.2
105.03651	1.9
105.05437	1.2
109.02803	9.2
110.07133	5.9
115.03892	20.4
116.07040	4.9
127.03876	31.1
132.06509	1.2
133.03192	5.9
133.04910	19.1
145.04927	24.0
150.05746	6.3
150.07532	1.6
163.05939	9.8
169.09671	1.3
174.92352	1.4
229.11768	1.7
241.06985	2.4
256.99854	1.2
259.08112	6.6
277.09128	1.1
295.10156	8.0
330.06970	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	330.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84198	4.0
55.05436	5.9
56.96495	6.7
57.03360	8.9
61.01048	5.6
61.02846	17.4
65.87302	3.7
69.03354	37.1
70.06508	8.7
70.82524	4.1
73.02821	9.8
76.56359	4.0
79.05404	3.9
83.04898	6.3
84.04433	6.8
84.07993	4.8
85.02837	34.0
85.55312	4.2
87.04364	6.0
91.05379	7.8
92.64057	4.6
97.02832	19.6
98.97527	4.3
99.04387	6.2
101.35873	3.8
103.05398	9.6
105.03653	6.8
105.06971	38.9
108.86356	4.6
111.04348	7.7
112.08644	4.3
116.98611	5.2
120.08061	62.7
129.06966	6.5
130.06476	15.0
132.08054	95.4
134.09644	22.7
134.99590	5.7
136.06166	77.2
146.09637	16.6
150.05478	5.2
216.09869	3.8
223.04202	5.1
237.02588	3.7
253.64789	4.5
266.13815	34.0
271.57095	3.9
274.64417	3.9
284.14841	54.1
290.99103	3.7
330.08661	3.8
330.15421	100.0
352.56335	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	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09833	1.8
53.03875	3.3
55.01808	15.7
55.05216	4.0
55.05450	53.7
55.71937	2.5
57.03363	6.2
57.07007	5.2
59.04949	2.4
66.57722	2.3
67.05428	100.0
67.05785	4.2
69.03354	3.5
69.06996	30.6
70.34126	2.2
71.04906	6.1
71.08557	20.8
79.05401	33.8
81.03349	3.2
81.06970	90.1
83.04910	12.0
83.08534	44.5
85.06456	5.2
89.46393	2.4
91.05392	30.6
93.06970	47.1
95.04947	5.0
95.08530	33.5
97.06458	14.5
97.10100	18.7
99.08036	10.8
105.06974	21.5
107.08537	35.4
109.06458	4.9
109.10118	36.0
111.08038	11.1
117.07003	5.7
119.08507	18.2
121.10078	19.0
123.08022	3.7
123.11658	4.9
125.09558	5.3
126.61589	2.4
127.26277	2.6
131.08507	13.8
133.10089	23.6
135.07997	3.4
135.11667	12.2
146.03194	4.7
147.11719	4.8
149.13258	20.1
151.11172	12.0
159.11685	5.7
161.13283	3.3
165.12730	5.4
173.11725	27.2
178.05621	3.9
188.60780	2.7
189.11156	5.4
195.13728	18.8
200.75505	2.5
210.01546	2.8
213.14861	12.4
259.12912	3.0
270.80017	2.7
277.21469	39.8
295.22659	26.3
301.25940	3.3
330.26309	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	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.6
55.01802	1.8
55.05452	36.0
57.03373	23.3
57.07013	3.4
59.04931	1.8
63.07076	1.3
67.05076	3.5
67.05425	71.9
69.03357	1.9
69.06624	1.9
69.06985	36.3
69.84426	1.3
71.04908	30.6
71.08553	1.6
77.40126	1.5
79.04956	3.4
79.05408	77.8
81.03343	1.7
81.06975	100.0
83.04912	2.1
83.08540	21.8
85.06462	8.8
89.05970	2.0
89.43825	1.2
91.05407	43.4
91.50867	1.4
93.06972	90.3
95.04905	6.9
95.08534	78.5
97.06460	9.4
97.10108	8.8
99.08042	6.0
105.06970	34.0
107.08544	55.2
109.06473	9.5
109.10112	29.0
111.08025	6.3
111.83167	1.5
113.09624	1.8
115.07536	1.9
117.06944	12.5
117.27879	1.5
119.08521	29.1
121.10102	40.7
123.08002	7.4
123.11649	3.7
125.09573	5.8
129.06984	5.6
129.62939	1.7
131.08536	17.4
132.87477	1.5
133.10085	19.3
135.11649	28.1
137.09612	2.0
143.08549	2.5
145.10100	14.1
147.11693	16.7
149.13231	17.0
151.11159	2.2
159.11647	9.3
161.13243	6.1
163.14757	3.6
165.12650	1.6
171.11678	7.3
173.13213	18.8
175.14813	8.3
181.12170	1.6
185.13211	2.7
187.14774	9.5
189.16309	3.4
190.58125	1.6
191.14308	7.0
199.14766	2.5
206.98624	1.6
207.17400	3.7
209.15363	2.9
237.18541	2.3
241.19438	3.6
257.32266	1.5
259.17874	1.6
259.20377	12.2
277.21552	68.4
290.66711	1.4
295.22632	3.4
335.65982	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	7.6
55.05453	77.2
57.03360	5.6
57.07018	5.6
67.05423	100.0
67.06691	4.1
69.03352	6.6
69.06991	37.5
70.09685	3.8
70.34727	4.1
71.04873	4.2
71.08547	81.8
72.45339	4.7
76.09333	4.1
79.05406	51.4
79.60037	5.3
81.03334	11.5
81.06973	92.7
83.04884	18.7
83.08532	43.1
87.53265	4.1
91.05390	40.1
93.06974	45.0
95.04892	17.6
95.08545	64.1
97.06446	8.5
97.10107	62.3
99.08018	57.8
103.46602	4.0
105.06960	18.5
107.08515	30.7
109.06466	4.9
109.10096	35.3
119.08560	34.6
121.10088	18.3
125.09591	39.6
133.10112	10.9
135.11647	6.0
145.72279	4.8
151.11171	27.4
161.13289	16.1
179.14343	18.8
189.11206	35.2
235.05826	4.3
259.20496	7.1
263.94711	4.3
277.21564	79.1
278.21854	6.2
281.05508	5.1
295.22610	68.3
298.19211	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	3.9
55.01814	21.0
55.05450	68.3
57.03362	4.8
57.07016	6.8
59.00381	3.8
67.05425	100.0
67.66478	4.4
69.06992	59.4
75.09937	4.1
79.05420	47.8
81.03323	10.0
81.06980	77.9
83.04887	17.4
83.08524	26.5
91.05397	29.0
93.06967	85.4
95.04903	8.3
95.08531	69.5
97.06454	19.4
97.10117	39.9
105.06958	22.2
107.08522	33.7
109.06478	7.2
109.10090	58.5
111.08046	5.6
116.29399	4.4
119.08529	27.5
121.10102	38.1
123.08029	18.7
125.09579	22.1
129.06531	5.0
131.08542	6.7
131.61847	3.9
133.10083	18.0
135.11644	6.0
137.09602	21.7
138.36176	4.3
139.11131	7.0
147.11595	8.4
149.13274	5.6
161.13242	7.9
165.12759	6.7
173.11673	4.6
179.14322	5.8
189.11252	5.1
191.29419	5.0
249.21976	8.2
277.21579	87.4
295.22638	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06351	2.0
53.03880	4.6
55.01802	11.7
55.05453	68.7
57.03368	12.8
57.07001	11.3
67.05428	91.3
69.03342	4.9
69.06988	45.1
70.01269	2.5
71.04898	5.7
71.08538	10.7
73.06459	2.2
79.05404	63.4
81.03333	5.1
81.06970	100.0
83.04903	34.1
83.08536	26.1
85.06474	3.9
91.05407	38.4
93.06973	89.3
95.04846	16.6
95.08530	58.0
97.06454	19.9
97.10084	9.5
99.08015	4.6
105.06968	34.2
107.08545	30.5
109.06452	3.6
109.10099	16.8
111.08043	9.4
117.06959	10.9
119.08507	22.5
121.10102	22.5
123.08009	2.6
125.09588	9.3
129.06998	3.8
131.08517	12.5
133.10112	21.5
135.07935	2.1
135.11665	17.4
137.09627	4.3
139.11198	17.9
145.10081	2.4
147.11687	11.4
149.13206	17.4
151.11153	10.9
159.11646	13.9
161.13213	10.0
163.11293	3.9
171.11639	3.2
173.11720	2.3
177.12723	8.9
195.13739	32.1
247.39726	2.7
277.21527	26.1
295.22614	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.8
55.01804	11.3
55.05456	45.2
57.00469	2.4
57.03380	20.3
57.07012	3.1
59.04939	4.2
59.10492	2.3
67.05074	4.6
67.05428	100.0
69.06982	24.4
71.08553	2.7
79.05412	25.6
81.06980	70.3
83.04904	6.5
83.08538	18.0
85.06501	3.9
85.94298	2.5
86.32290	2.5
91.05412	25.5
92.10883	6.2
93.06983	36.4
95.04918	4.5
95.08530	31.3
97.06465	11.4
105.06989	14.8
107.08526	21.9
109.10109	61.2
111.08039	5.1
119.08528	15.4
121.10069	4.2
123.11696	3.4
133.10059	4.0
137.09563	3.6
139.11174	5.2
143.08492	2.8
147.13148	2.6
151.11168	4.1
155.10635	3.5
155.48927	2.6
173.11659	35.3
181.59488	2.4
195.13896	4.1
277.21564	13.7
295.22525	10.9
313.67166	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82381	1.2
55.01795	6.8
55.05190	2.9
55.05452	83.3
59.04917	1.5
67.05424	28.0
69.03337	7.8
69.06990	17.0
71.08546	11.7
79.05415	19.1
81.03313	2.2
81.06976	27.1
83.04887	7.0
83.08537	49.2
91.05404	6.2
93.06956	9.6
95.08525	6.6
97.10101	100.0
99.08038	6.7
101.09581	2.1
105.06985	3.1
107.08539	29.6
109.10095	6.7
111.08018	2.2
114.15104	1.5
121.10041	1.5
125.09589	63.5
125.10500	2.1
133.10062	2.7
135.08032	2.1
149.13322	2.2
151.11136	6.4
153.09091	2.3
161.13249	2.8
171.10040	3.3
175.08383	1.5
179.14258	1.8
185.43312	1.6
189.09590	3.2
189.11183	70.7
190.11479	2.3
277.21558	38.6
295.22568	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	330.3
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81663	0.3
55.05452	3.7
56.04977	9.1
57.03365	0.4
57.07018	3.4
58.06543	0.6
60.04460	22.9
60.04766	0.8
61.43386	0.4
67.05427	3.4
67.05731	0.3
68.04942	0.5
69.07007	3.3
70.06515	1.4
71.04884	0.3
71.08541	2.1
72.04430	3.0
74.05996	100.0
77.72646	0.3
79.05410	0.7
81.06980	3.1
82.06520	1.5
83.04913	0.5
83.08540	2.3
84.11697	0.3
85.10135	0.4
86.05978	2.6
91.05422	0.5
93.06988	0.8
94.06532	0.4
95.04902	0.4
95.08550	2.7
97.10103	1.5
101.50375	0.4
106.08612	0.3
107.08571	0.4
109.10130	0.6
116.07104	0.5
121.10058	0.4
130.08649	0.8
160.15079	0.4
215.29352	0.4
254.28258	0.6
264.26968	1.5
270.27957	0.8
282.27838	3.3
294.27884	0.8
300.28873	0.7
312.28998	1.9
330.29916	11.5
330.33389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0804
Annotation	Dillenetin
Peak:m/z	Relative Intensity
54.81588	0.7
55.05447	1.1
55.37790	0.7
71.04892	0.9
71.40699	0.8
72.08047	4.9
72.51717	0.9
78.90576	0.8
79.05417	1.1
81.03333	1.2
81.06969	1.1
86.09631	1.1
91.05410	2.2
92.11005	1.4
95.08521	1.3
105.06933	2.1
107.08543	1.7
116.98554	1.1
117.03305	2.0
119.04900	1.7
137.05901	3.3
145.02823	4.1
147.04372	1.9
151.03856	5.4
152.70662	0.8
153.01804	1.8
161.05968	1.0
167.07024	1.3
171.19341	1.0
177.05450	6.1
185.95602	0.9
204.50328	1.0
213.05368	1.2
241.04858	1.2
242.05682	11.4
258.05054	9.8
270.05142	20.6
273.03848	5.7
286.04559	1.9
287.05521	12.4
301.03265	4.3
302.04089	6.2
313.03360	3.7
315.04926	99.8
316.05634	7.6
323.88672	0.9
331.04703	4.7
331.08041	100.0
332.08325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
51.69492	0.2
55.05453	1.6
57.07017	0.2
58.40513	0.2
65.00681	0.2
67.05426	4.3
67.86031	0.2
69.06973	1.4
71.04904	1.0
72.50608	0.2
79.05417	2.8
81.06969	4.7
83.08528	0.4
85.06445	0.4
88.96576	0.2
91.05396	1.3
92.10874	0.2
93.06976	4.0
95.04907	0.4
95.08539	3.2
97.06451	0.8
97.10103	1.0
105.06995	1.0
107.08561	1.9
108.02065	0.3
109.10098	1.3
118.04092	0.2
119.08515	0.9
121.10111	2.3
125.09616	0.3
131.08577	0.3
133.10173	0.3
135.11662	1.0
147.11684	0.3
148.66823	0.2
149.13171	0.3
153.01768	2.4
154.02567	1.3
159.11595	0.2
161.10320	0.3
165.32825	0.2
178.02573	0.8
179.07036	0.3
203.03337	0.4
213.05373	0.5
214.06197	0.4
229.04881	0.4
241.04880	1.2
242.05673	9.4
245.04347	0.2
253.04927	0.9
255.02914	0.4
257.04318	0.3
258.02576	0.4
258.05191	9.5
259.05963	0.4
259.20523	0.3
269.04379	1.3
270.05161	22.4
271.05670	1.0
273.03867	5.6
277.21509	1.4
285.03793	1.7
286.04666	4.2
287.05457	12.0
295.22638	1.1
299.05518	2.0
301.03372	4.7
302.04138	7.1
313.03406	3.9
315.04919	94.5
316.05630	9.0
331.04849	4.3
331.08038	100.0
332.08353	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	0.9
53.20824	0.5
55.01807	0.8
56.04965	0.6
57.03366	2.4
57.62367	0.4
59.90025	0.5
61.01081	0.9
61.02864	4.0
64.33134	0.5
69.03350	9.1
70.06506	0.6
73.02814	1.0
75.07646	0.4
81.03328	3.3
84.08046	1.0
85.02827	18.8
86.09613	1.1
87.04386	0.8
91.03873	1.1
96.08069	0.7
97.02829	6.6
99.04356	0.9
106.06497	8.0
108.08061	6.6
109.02821	2.1
124.07543	6.0
127.03872	2.5
134.05978	33.5
136.06145	4.9
136.07565	1.9
149.65518	0.5
150.05553	3.3
151.05876	3.2
151.07394	0.5
151.08640	32.1
152.07042	100.0
163.08554	0.5
166.07222	2.5
168.06526	0.7
169.09688	38.5
170.08067	2.2
186.79128	0.5
188.35092	0.5
245.09908	0.5
265.34787	0.5
287.44122	0.5
313.13794	0.6
314.12390	0.8
331.14963	9.8
332.13165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07008	13.3
70.06519	21.5
71.06848	1.5
71.08546	6.9
81.06970	2.0
84.20845	1.2
88.07559	27.4
89.05656	1.2
89.07883	1.7
95.08546	1.6
100.96509	1.4
102.09095	7.0
106.08608	14.2
109.15090	1.3
150.48273	1.2
175.22498	1.2
203.17824	1.3
264.34564	1.3
265.37103	1.6
312.32684	9.2
313.32794	5.2
330.27646	1.8
330.33600	78.7
331.22382	100.0
331.33899	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	2.7
56.05756	1.3
57.07016	19.6
58.07324	1.8
66.13336	1.3
68.04916	1.5
70.06512	35.4
70.88609	1.4
71.08544	7.7
72.08058	8.2
85.10101	2.1
88.07560	32.3
98.05980	3.8
98.89699	1.4
102.09084	10.8
106.08614	13.9
117.96740	1.6
312.32584	10.0
313.32889	2.2
313.73599	2.0
330.27942	5.1
330.33609	100.0
331.22388	88.8
331.28296	3.0
331.29666	1.8
331.33932	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86306	1.1
55.05461	1.4
55.70932	1.4
57.07016	19.6
58.06538	2.0
59.28434	1.5
62.76462	1.2
66.38726	1.7
70.06523	30.6
71.08546	8.9
83.08585	1.4
84.70675	1.3
85.10117	1.8
88.07557	30.2
91.10059	1.4
98.05999	1.4
102.09124	9.1
102.21505	1.5
106.08641	14.9
114.38722	1.5
137.19757	1.4
293.61914	1.7
312.32510	2.6
313.32846	6.0
330.27719	2.4
330.33609	98.6
331.22403	100.0
331.33911	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2475
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.02170	1.3
53.00249	2.9
53.03878	2.8
54.81450	1.9
55.01816	6.7
55.05192	2.0
55.05455	56.6
56.96510	1.4
57.03370	12.9
57.06763	2.1
57.07016	27.2
62.31277	1.5
67.05080	3.5
67.05431	76.2
69.03358	3.5
69.06993	73.5
71.04905	11.6
71.08544	24.5
79.04962	3.0
79.05413	54.6
81.03328	8.3
81.06510	3.1
81.06980	87.8
83.04897	21.8
83.08551	14.6
85.06445	4.2
85.10104	27.5
91.05408	26.3
93.06982	80.0
95.04893	11.0
95.07967	3.1
95.08544	81.9
97.06470	26.9
97.10107	26.9
97.46106	1.8
99.08033	20.3
100.59762	1.7
101.05937	1.6
105.06980	25.2
107.04958	2.0
107.08540	33.2
109.06446	3.7
109.10103	17.4
109.48904	1.9
111.08056	2.9
111.11672	6.6
113.09610	23.6
117.06959	2.7
119.08533	19.3
121.10098	57.2
123.08033	4.1
123.11655	11.2
125.09631	2.8
127.11160	2.4
129.07016	1.9
131.08531	12.7
133.10121	13.6
135.11700	14.2
137.09601	3.5
139.11169	27.5
141.12781	13.9
145.10083	3.4
147.11702	14.8
149.09584	6.6
149.13229	8.0
151.11153	11.4
151.14859	1.7
155.10649	10.4
159.11699	2.1
161.13202	6.5
163.11160	3.3
165.12703	13.3
167.10645	3.7
169.12215	2.4
179.14304	2.4
183.13770	7.8
185.11674	2.7
195.13826	10.8
203.12686	14.1
213.15033	2.3
221.15335	2.6
223.99547	1.9
230.16602	2.2
259.20395	2.5
273.28040	1.8
277.21585	45.2
278.21973	2.4
295.22614	100.0
296.22949	4.1
327.61295	1.8
331.11853	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	331.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95241	1.3
54.36698	1.5
55.01807	3.7
55.05445	25.5
55.89341	1.5
57.03371	13.6
57.07014	2.6
59.04922	3.2
60.04456	1.7
67.05424	100.0
67.05785	3.6
69.06979	18.9
71.04914	3.8
79.05402	29.3
81.03304	2.1
81.06971	66.6
83.04881	8.2
83.08116	1.8
83.08543	18.8
85.06460	2.1
85.45597	1.8
91.05396	21.5
93.06979	38.5
95.04888	3.2
95.08522	20.2
97.06448	6.6
99.08018	1.6
99.23625	1.6
105.06982	9.0
107.08548	18.6
109.10101	57.6
111.08054	6.3
113.09627	1.7
116.58633	1.6
117.06985	4.0
119.08552	4.0
121.10101	8.5
123.07951	1.7
131.08548	8.0
133.10088	7.0
135.11656	7.2
149.13235	15.0
155.10632	4.1
159.11650	3.2
173.11688	34.1
177.12724	6.4
195.13719	19.6
198.88892	2.0
213.14856	4.1
277.21591	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	331.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83295	1.5
53.03851	1.5
55.01797	8.7
55.05448	29.1
56.96489	2.4
57.03364	11.0
57.07019	4.2
67.05077	4.2
67.05425	100.0
69.06981	22.9
71.00919	1.8
71.04905	5.0
71.08529	2.0
75.60232	1.7
79.05404	37.0
81.03324	2.1
81.06973	86.4
83.04896	8.9
83.08535	18.6
85.06453	7.6
91.05399	29.0
92.10940	4.4
92.64185	2.5
93.06375	2.3
93.06965	64.2
95.04852	3.9
95.08540	27.6
97.06446	15.1
97.10117	4.3
105.06979	7.5
107.08530	32.6
109.10114	31.1
111.08027	12.0
117.06963	3.2
121.06414	2.5
121.10123	13.9
123.08027	2.3
123.11663	3.8
131.08548	11.5
133.10077	10.6
135.08047	2.8
135.11655	11.6
147.11681	3.4
147.42606	1.9
149.13245	29.4
155.10728	2.0
159.11708	16.5
173.11659	24.4
177.12712	8.5
195.13777	40.3
203.65694	1.9
213.14859	9.8
277.21588	8.7
331.18723	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	331.2475
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.00253	3.8
55.01796	4.7
55.05447	54.2
56.42831	2.6
57.03366	6.8
57.07018	37.2
61.95617	3.1
67.05423	84.7
69.03352	4.1
69.06982	77.7
71.04893	23.0
71.08546	18.1
73.53014	4.1
79.05408	52.4
81.03319	14.8
81.06977	83.3
83.04896	18.5
83.08533	20.8
85.06420	5.0
85.10100	46.6
91.05414	36.2
93.06976	78.0
95.04882	6.8
95.08533	100.0
97.06461	27.4
97.10114	29.1
99.08025	6.4
105.06973	27.7
107.08516	39.7
109.06477	5.4
109.10082	17.2
111.11633	4.8
113.09593	51.8
114.37616	3.9
119.08519	19.4
121.10095	52.2
123.11706	6.4
129.84473	4.0
131.08556	6.8
133.04504	3.5
133.10071	16.7
135.11670	7.3
137.09665	4.1
139.11157	28.8
141.12689	4.1
147.11650	16.8
149.09595	14.5
151.11148	6.5
155.10646	7.8
156.71619	3.6
157.12195	8.1
165.12753	7.3
179.14366	4.9
179.20557	4.1
183.13748	6.3
185.11722	13.1
189.11284	4.1
193.12212	6.2
211.13254	15.7
259.20578	6.0
277.21552	42.4
278.22079	4.6
295.22607	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59951	2.0
53.00242	3.7
55.05461	19.8
57.03375	4.0
57.07011	100.0
57.71918	2.3
67.05425	31.0
69.06988	19.6
71.08540	66.3
74.05930	2.8
81.06982	30.8
83.08541	18.3
85.10085	21.8
91.05416	2.8
93.06962	11.4
95.08531	53.2
97.10102	10.6
105.01281	2.6
109.10089	20.1
116.89449	2.6
123.11615	9.5
178.85373	2.9
194.75647	2.7
200.06996	2.8
239.23608	16.1
313.27365	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
53.00251	2.7
55.05451	14.1
57.03370	7.3
57.06742	3.4
57.07014	100.0
63.50592	1.3
64.98415	1.4
67.05429	30.0
69.06995	13.3
69.29650	1.6
71.08544	58.9
79.05396	3.6
79.44751	1.4
81.06975	27.3
83.08537	17.2
84.05486	1.9
85.10114	25.0
89.07584	1.5
90.03001	1.5
93.06956	3.1
93.84978	1.5
94.60116	1.3
95.07962	2.5
95.08532	46.6
97.10098	3.8
98.21844	1.4
106.27612	1.7
107.08469	1.9
109.10091	15.1
120.44726	1.6
123.11653	6.2
137.13203	2.1
152.36383	1.5
179.33755	1.7
194.95898	1.7
211.65538	1.5
212.62241	1.5
239.23615	15.1
313.19333	1.6
313.27280	38.0
331.22470	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87614	1.7
53.00240	2.4
54.26110	1.7
55.05445	12.5
57.03371	4.8
57.06741	4.3
57.07011	100.0
58.82323	1.7
60.22325	2.0
67.05418	22.2
69.06982	14.8
71.08184	3.5
71.08547	58.4
79.05418	2.5
81.06973	28.6
83.08524	11.4
85.10123	19.1
86.25121	2.1
88.07563	2.6
95.08539	31.4
97.10107	3.4
109.10106	13.2
116.52358	2.3
122.17339	2.1
123.11670	3.0
152.10023	2.5
239.23598	10.0
263.92203	2.1
313.27252	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	331.2841
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
55.05452	14.8
57.03368	3.2
57.06740	4.2
57.07014	100.0
60.19992	1.6
67.05435	22.0
69.06988	14.8
71.08546	55.3
74.08150	1.9
78.57189	1.9
81.06976	24.7
81.80090	1.8
83.08525	13.1
85.10114	25.0
87.57312	1.5
87.81460	1.6
94.35211	1.5
95.08542	41.7
97.06123	1.7
97.10079	6.8
109.10112	11.5
123.11624	2.7
137.13199	1.8
140.48271	1.9
196.59348	2.0
239.23714	8.5
313.27246	25.6
334.59344	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	3.4
54.82459	1.4
55.01800	2.5
57.03366	8.4
57.13107	1.1
57.73185	1.3
61.02840	9.9
69.03339	20.5
71.04919	2.0
73.02817	3.7
76.91665	1.4
81.03336	8.7
83.01243	1.7
83.83133	1.6
84.04422	1.4
85.02820	100.0
86.09609	8.7
91.03838	1.7
91.05374	3.0
93.06943	1.8
97.02818	26.1
98.97504	1.9
99.04386	3.2
107.04897	39.0
109.02830	5.9
110.00835	1.4
117.98811	1.5
121.06465	6.8
123.04277	1.9
127.03867	16.1
134.47739	1.5
145.04912	22.1
149.05898	10.4
153.05421	5.3
162.35867	1.4
163.05951	1.9
166.06187	1.9
167.07016	36.6
168.26933	1.4
180.08595	8.7
181.08557	9.2
211.09581	10.9
219.06386	5.1
292.17249	1.5
332.13425	3.3
343.87561	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.1
53.82748	0.9
55.01813	2.4
55.05453	32.7
57.03370	1.9
57.07013	4.4
59.04943	1.1
64.32867	0.9
66.81597	0.9
66.90411	1.0
67.05429	100.0
67.45747	1.0
69.06654	2.0
69.06993	32.4
71.04902	4.7
71.08540	2.4
79.05414	27.3
81.06976	93.7
82.07301	1.1
83.04904	5.5
83.08549	15.4
91.05411	9.2
93.06970	23.8
95.04935	1.5
95.08535	61.0
96.08908	1.0
97.06461	6.1
97.10095	15.3
105.06973	5.2
107.08540	20.1
109.06458	1.2
109.10103	42.4
111.08054	1.3
117.06960	1.6
119.08549	5.8
121.10090	14.8
123.11650	11.9
125.09622	5.0
131.08514	7.7
133.10126	2.3
135.07996	1.1
135.11658	9.9
137.13258	5.4
139.11136	4.4
140.17142	1.1
145.10092	2.0
147.11615	1.4
149.09613	1.8
149.13246	5.1
153.12558	1.5
162.77155	1.1
173.11694	11.2
173.13168	3.8
181.12054	1.2
185.11652	1.9
187.14809	1.7
189.11180	2.0
200.66313	1.2
243.20952	1.4
261.22095	6.9
279.23129	54.7
280.23492	1.6
297.24069	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	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	1.4
55.01820	2.5
55.05451	28.5
57.03360	7.8
57.07013	100.0
59.04920	1.5
67.05430	82.8
69.06654	1.8
69.06989	32.3
70.06524	1.8
71.04900	3.0
71.08547	23.2
79.05412	26.6
81.06975	74.7
83.04881	6.4
83.08535	9.8
85.06448	6.6
87.04376	2.4
91.05411	10.3
93.06974	27.5
93.19745	1.3
95.04897	2.9
95.08535	38.0
97.06453	7.0
97.10078	7.8
102.09127	2.2
105.06953	7.5
107.08540	14.3
109.10114	25.3
111.08033	2.8
117.07003	2.2
119.08533	9.3
121.10104	22.5
123.08027	2.3
123.11643	10.7
125.09627	2.2
127.11158	20.4
131.08517	5.6
133.10089	3.0
135.08041	2.1
135.11670	15.4
137.09566	5.9
137.13219	1.5
139.11130	7.4
141.12735	10.3
145.10144	1.7
147.11671	1.4
149.09628	2.6
153.12735	1.7
159.10056	1.7
159.11632	1.7
159.13768	6.1
165.71198	1.5
167.14267	8.7
171.88759	1.4
173.11647	2.4
187.13286	4.6
195.13680	1.9
195.17303	2.3
233.22649	4.3
233.35828	1.3
243.20990	4.8
261.22031	3.3
267.19107	1.4
270.27859	2.2
279.23135	35.1
297.24316	4.3
316.50253	1.4
332.31497	6.8
333.20139	8.3
353.39215	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2949
Annotation	N-Methylfuntumine
Peak:m/z	Relative Intensity
55.05443	2.6
57.07013	10.2
58.09044	0.6
67.05418	4.1
67.05827	0.5
69.06968	0.6
71.08554	6.8
72.08077	4.6
75.11566	0.7
77.99500	0.6
79.05393	6.1
81.06967	4.4
85.10085	3.0
89.62489	0.7
91.05394	1.4
95.04889	1.0
95.08532	5.3
98.06004	1.5
103.05395	3.6
105.06977	100.0
106.07338	1.0
106.28249	0.6
109.10081	2.7
122.09614	17.0
123.11709	0.7
138.08870	0.6
148.57216	0.7
178.14627	0.7
225.43584	0.8
228.23112	0.9
301.65201	0.6
314.27682	1.5
332.29428	28.0
332.33011	1.0
333.29886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72085	9.5
55.05464	11.0
55.44273	10.7
56.96498	12.4
58.89809	8.8
59.19631	9.2
65.66002	10.5
69.20701	9.7
69.46864	13.2
69.94028	9.2
70.06519	41.2
72.08076	100.0
77.47187	10.1
80.42580	10.3
83.06030	11.1
84.04416	23.2
84.08059	27.1
86.09632	51.4
101.98224	12.2
110.07115	14.2
127.03225	20.6
130.06465	18.1
134.05940	11.9
146.68571	11.4
147.29068	10.2
150.42490	14.7
152.06956	16.9
152.60823	10.6
162.05482	84.0
174.25459	12.3
231.11299	13.2
333.09369	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0965
Annotation	Dalparvin A
Peak:m/z	Relative Intensity
57.88754	0.3
58.54464	0.3
59.04383	0.3
65.03848	0.7
67.01795	5.4
67.05408	0.4
68.99698	2.9
69.03333	2.1
74.00567	0.3
75.62215	0.3
77.03796	0.4
79.05387	0.4
80.03387	0.3
81.03323	0.7
83.01248	0.7
89.03831	0.4
91.05401	17.3
93.06981	0.5
95.04887	2.0
97.02837	1.3
98.04775	0.3
103.05406	0.7
118.04088	1.4
119.04890	21.8
121.06434	0.8
123.04371	2.9
125.02272	0.5
127.03809	0.5
132.02010	0.5
134.27255	0.4
134.98630	0.4
137.05957	0.5
140.04666	0.7
145.02780	0.4
147.04381	17.6
149.02350	0.8
149.05956	0.6
151.03879	0.8
153.01797	100.0
154.02075	0.5
155.06992	0.7
157.03918	2.0
164.04616	1.5
166.06216	0.5
167.06993	5.2
171.02841	11.6
175.03865	22.5
177.01782	0.8
179.03348	16.5
179.06932	1.6
181.08531	2.6
192.04149	6.4
207.06482	27.6
226.85101	0.4
230.02022	0.4
232.73895	0.4
238.79411	0.4
245.04425	4.9
333.09644	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0967
Annotation	Dalparvin A
Peak:m/z	Relative Intensity
55.01815	0.5
56.87851	0.4
56.96487	1.8
58.73298	0.3
60.04456	0.6
64.46791	0.4
65.03860	0.9
67.01790	7.9
67.05412	0.4
68.99701	3.4
69.03350	3.5
74.03455	0.4
78.04656	0.4
79.05416	0.6
81.03329	1.0
81.06953	0.9
89.03813	0.7
91.05408	20.0
92.10983	0.6
93.06962	0.9
95.04882	2.1
95.08530	0.5
97.02814	2.0
97.03412	0.5
98.97504	2.1
103.05398	0.6
107.04898	0.5
107.08475	0.5
108.49600	0.4
111.00739	0.7
111.04330	0.5
116.73414	0.5
116.98578	2.8
118.04111	0.4
118.57890	0.4
119.04894	27.2
120.20404	0.4
121.06453	1.6
123.04379	4.8
125.02309	0.5
127.03821	0.7
134.99634	3.2
137.05963	3.6
139.03842	0.5
140.04684	0.7
145.02841	0.8
147.04391	20.5
149.02280	0.6
149.05939	0.9
151.03918	1.8
153.01804	100.0
154.02107	1.0
157.03961	2.4
164.04631	1.0
166.06284	0.5
167.07002	9.7
168.07341	0.9
171.02855	16.5
175.03873	27.5
179.03358	19.2
179.06895	1.3
181.08572	2.9
192.04088	4.6
207.06496	30.9
288.09964	0.4
291.08536	0.5
293.03250	2.1
311.04434	1.6
315.08609	1.5
315.13736	0.5
333.09604	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	333.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32993	0.2
82.37360	0.2
84.08028	0.2
85.02826	0.3
87.17525	0.2
88.08706	0.2
91.05389	0.3
92.10345	0.2
94.32535	0.2
95.04859	0.3
108.08067	2.3
109.05058	1.1
109.08404	0.4
110.03469	4.8
123.04380	3.0
124.07516	0.5
125.07870	0.3
128.04526	2.6
134.04674	0.2
134.05951	1.6
135.02994	3.9
135.06277	0.4
136.06154	1.4
136.07536	0.8
152.05650	100.0
153.04048	15.9
153.07367	1.9
154.02374	0.2
165.05426	1.0
170.08102	1.1
171.08418	0.4
200.31844	0.2
210.46855	0.2
271.84344	0.2
315.12683	0.3
332.13422	0.2
333.01401	0.2
333.13614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1477
Annotation	Chlovalicin
Peak:m/z	Relative Intensity
54.25982	1.2
55.01797	2.7
55.05441	5.7
56.04974	15.8
58.99517	10.4
62.48875	1.3
67.05423	20.9
68.04937	1.7
69.06984	13.2
69.79405	1.3
70.06506	2.2
71.04906	3.1
73.01057	2.8
74.00578	6.6
76.02132	6.1
76.03910	2.5
79.05396	10.3
80.04903	3.5
81.06974	10.6
82.06472	2.0
83.08521	2.6
84.04436	5.4
85.01053	2.8
86.00575	48.0
86.48304	1.4
86.98972	10.8
87.02615	1.9
88.02119	6.2
91.05391	17.9
93.06966	21.8
95.08537	15.7
97.01051	39.9
97.06450	3.4
99.02615	2.1
100.02126	1.5
105.06982	2.7
107.08514	6.1
109.10112	20.3
111.02599	2.1
112.03951	2.5
116.01617	36.8
116.05260	5.9
117.06912	1.8
119.08524	10.8
124.11187	2.0
130.04968	1.8
133.10080	1.8
135.08040	3.0
135.11559	1.5
137.09610	19.6
143.02687	2.6
144.01144	2.9
151.05713	2.9
154.12253	18.5
162.02122	1.8
166.12227	6.5
169.06750	11.1
172.13255	9.0
177.07314	5.8
184.13275	17.4
189.03285	2.6
195.08502	5.7
212.10994	56.9
212.12747	3.7
213.09361	1.5
230.11923	25.3
230.13968	16.7
240.10388	7.9
298.10999	6.7
315.13736	3.5
316.11853	1.8
333.14703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65327	0.9
55.05435	1.2
56.96496	1.7
57.07013	1.0
57.70845	1.1
58.27116	0.9
59.58570	0.9
65.02526	0.9
67.05414	7.0
69.06974	1.3
71.08540	1.3
79.05392	2.0
80.09752	0.9
81.06965	5.4
88.07566	3.3
91.63153	1.0
91.89742	1.1
93.06985	2.1
95.08528	4.5
98.37561	0.9
98.97523	1.3
109.51321	0.9
116.98561	1.5
118.83172	1.0
119.08526	1.3
121.69698	1.0
137.05914	1.3
151.11230	1.2
195.09917	1.6
242.24698	1.3
279.23459	1.1
333.20282	100.0
334.20621	4.9
334.29385	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	15.5
56.96483	2.9
57.07016	19.5
59.06055	2.9
63.97000	1.7
66.63682	1.9
67.05435	24.5
69.06979	10.1
71.04874	2.7
71.08537	4.7
75.05510	3.0
79.05407	10.5
79.38519	1.9
79.99253	2.0
81.06973	29.0
83.04892	2.3
83.08537	7.7
85.96181	1.8
88.03946	2.5
88.07541	4.5
89.07063	4.0
91.05400	3.9
93.06982	8.4
95.08536	14.7
97.10081	3.8
103.08636	4.8
105.06976	3.9
107.08517	8.2
109.10104	10.1
116.98597	3.5
121.10069	7.5
123.11657	3.0
127.11148	2.1
134.99557	3.8
135.11647	2.8
137.05931	3.5
153.12604	1.8
165.12273	4.0
167.06976	3.0
173.11745	3.3
197.04475	2.5
213.23141	4.0
219.10909	1.9
231.12912	2.3
252.17416	2.1
279.23138	10.5
315.19189	4.3
333.20288	100.0
333.31030	18.4
334.20453	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13806	1.5
53.72804	1.5
54.81819	2.3
56.87969	1.6
56.96485	3.4
59.71313	2.1
60.04447	9.5
67.05430	3.9
69.06965	1.8
78.50253	1.7
78.63827	2.1
79.05426	2.6
81.06959	3.4
82.93790	1.9
91.05410	2.5
92.04950	2.6
93.06946	2.1
95.08532	2.4
99.00901	1.8
116.98618	4.4
127.08593	1.9
131.22823	2.0
134.99629	8.9
137.05965	11.1
152.10680	19.9
167.07030	11.4
180.10085	13.5
315.19189	3.6
333.20303	100.0
334.23950	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91481	1.4
54.81661	1.4
55.05458	1.4
55.62020	1.3
56.96508	1.7
58.19633	1.3
60.04447	3.1
61.83315	1.4
67.05414	3.1
69.06968	1.7
81.06960	6.5
93.06955	2.1
95.08565	5.5
107.08494	1.9
135.35832	1.6
137.05945	13.3
142.78419	1.8
152.04639	1.6
164.43307	1.6
167.07014	6.9
253.12277	2.1
274.13568	1.4
288.10001	1.8
315.19498	1.7
333.20288	100.0
334.20456	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83221	0.9
54.81882	1.2
59.86241	0.9
63.76739	0.8
64.33549	1.0
67.05393	1.3
81.06968	1.9
81.26949	1.0
95.08556	1.9
108.08900	1.1
119.08616	1.0
140.44411	1.1
156.23706	1.0
304.88806	1.1
333.20297	100.0
334.20386	2.5
351.36804	1.2
359.24335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81000	3.8
57.07012	39.8
63.53025	4.5
71.08553	28.0
85.10107	7.4
86.55461	4.2
87.68281	4.3
89.05952	10.5
97.16289	5.0
110.96985	5.0
112.23129	5.3
133.57195	6.4
151.09666	9.0
172.38055	5.1
199.92755	4.5
215.04100	5.6
242.66277	5.5
274.79532	6.0
328.46341	5.3
332.34183	20.5
333.23962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	29.5
56.96487	4.1
57.03363	4.2
57.78927	3.1
59.21429	3.2
67.05428	76.3
69.06987	25.7
75.58694	4.1
79.05406	26.8
81.06980	100.0
83.08522	13.2
85.06454	6.1
91.05392	14.6
93.06977	33.6
93.37354	4.3
95.08537	81.2
97.06471	13.7
97.10094	4.0
98.97512	7.8
103.35334	3.3
105.06985	3.7
107.08529	14.3
109.10100	40.8
116.98525	6.7
121.10074	16.9
131.08469	3.9
133.10110	4.7
134.99635	7.8
137.05943	27.4
147.11671	6.8
149.13197	4.0
167.07013	23.4
173.13206	4.3
187.13348	3.6
261.22092	6.3
279.23331	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	333.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.8
53.03880	1.6
55.01808	3.0
55.05192	1.5
55.05450	30.8
57.03362	3.9
57.07016	5.6
59.04913	0.9
63.35256	0.7
65.03848	2.0
67.05427	89.7
68.05751	0.7
69.03342	1.4
69.06602	1.2
69.06989	40.4
71.04912	7.3
79.05412	32.2
81.06975	100.0
82.07333	1.1
83.04903	5.6
83.08534	15.2
85.06462	5.2
85.26234	0.9
91.05407	11.5
93.06972	37.0
95.04869	3.6
95.08535	85.3
97.06464	10.7
97.10105	9.6
105.06976	9.5
107.08534	22.4
109.06461	1.5
109.10112	40.3
111.08044	1.8
111.11655	3.4
113.29883	0.9
117.06973	3.7
119.08547	9.1
121.10098	21.6
123.08044	1.4
123.11663	13.8
130.09908	0.9
130.64401	0.8
131.08546	6.3
133.10095	7.2
135.08002	1.5
135.11682	14.4
137.09555	1.4
137.13208	7.7
139.11179	1.1
145.10103	6.8
147.11684	7.6
149.13197	5.2
151.11143	0.9
151.14734	1.3
153.12686	1.0
159.11678	4.7
161.13249	7.1
163.14748	1.7
165.12680	0.8
169.12395	0.8
173.11780	1.5
173.13242	4.2
177.60634	0.9
187.14848	1.6
189.91725	0.8
195.13763	1.0
213.51668	0.8
219.92137	0.9
223.16869	1.3
233.76453	0.8
243.21054	7.2
260.89523	0.8
261.22049	15.7
279.23132	57.6
280.23346	1.3
297.24185	8.8
333.27542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2633
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
53.00251	1.0
55.01796	1.4
55.05214	1.5
55.05452	22.7
56.96500	1.9
57.03370	1.8
57.07005	12.4
60.04449	1.8
65.03859	1.5
67.05429	85.9
69.06985	25.8
70.06496	7.1
71.04905	2.1
71.08530	7.4
73.93446	1.0
79.05409	25.0
80.28631	1.0
81.06976	100.0
82.93597	1.0
83.04893	1.7
83.08540	10.9
85.06477	1.3
85.10099	9.2
88.07567	10.5
91.05384	9.4
93.06976	24.7
95.04839	1.2
95.08538	62.7
97.06473	6.8
97.10114	7.3
98.97497	1.8
99.08025	5.1
102.09119	5.4
105.06989	10.2
107.08539	14.2
109.06487	2.1
109.10103	25.2
109.84540	1.1
111.07957	1.5
113.09583	6.5
116.98547	1.6
117.06960	2.3
119.08531	4.8
120.03459	1.0
121.10089	17.9
122.03577	1.4
123.11647	12.4
131.08536	8.8
133.10086	8.1
134.99652	1.5
135.07982	1.2
135.11673	9.9
137.05963	6.5
137.13206	8.6
139.11121	2.7
141.12718	2.2
143.08530	1.0
145.10078	2.0
147.11636	7.0
149.09633	2.1
149.13246	6.8
154.38988	1.3
159.11688	2.7
161.13254	4.4
165.17656	1.1
167.06964	10.4
173.13231	4.8
177.12724	1.7
177.16145	1.2
187.14705	1.6
195.13766	2.0
209.15314	1.9
228.23199	24.6
243.20943	4.6
261.22137	8.7
269.10477	2.3
278.21558	1.2
279.23117	52.2
287.11560	5.0
288.09830	1.4
297.24164	7.0
334.29462	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	334.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.3
55.01808	1.3
55.05441	1.6
56.04961	3.4
56.96498	2.4
61.01070	2.8
65.03861	1.9
67.05417	2.5
67.10905	1.3
69.03339	7.8
70.06522	2.4
72.08076	1.5
74.00590	14.6
81.03333	3.4
84.04430	1.4
84.08041	1.8
84.95931	1.6
85.02839	2.4
86.09615	7.7
88.03905	1.7
91.05411	2.2
95.04895	1.8
97.02792	1.9
104.05283	5.7
108.28875	1.2
108.78873	1.3
109.02795	3.3
110.03622	2.5
111.04372	5.8
112.05154	1.9
120.01132	12.6
125.02308	2.1
125.05959	11.3
127.03832	10.7
130.06502	2.7
138.03125	2.1
139.03864	13.9
140.04655	10.1
143.38583	1.4
144.04419	1.8
146.05949	6.0
147.04350	2.4
153.01805	11.2
153.05444	10.5
155.03360	25.5
155.07021	12.6
156.04141	9.1
157.03215	1.7
159.01079	18.0
162.05453	28.9
168.04150	5.5
169.04922	20.4
170.05707	29.1
171.06490	7.0
172.03825	1.9
181.01286	6.7
181.04910	1.6
183.02881	6.4
183.06491	100.0
185.08081	17.5
187.00485	11.1
190.04979	1.7
197.04375	2.5
198.05183	5.4
199.04182	5.6
199.05994	21.7
202.02881	11.2
210.38574	1.4
211.05991	30.4
213.07555	34.7
214.08293	10.6
215.00056	50.6
224.07640	8.1
226.05270	2.2
226.53767	1.4
230.02390	74.2
238.03825	2.5
245.04721	49.8
250.05328	1.5
256.06238	1.6
266.03302	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39566	1.4
53.00260	2.8
55.01809	7.8
55.05447	8.3
57.07009	6.5
60.95676	1.5
61.39663	1.4
62.02510	1.3
67.05423	16.8
67.39858	1.7
69.06995	9.1
70.95548	1.8
71.04947	1.6
71.08540	9.9
72.04434	92.4
79.05405	6.8
79.51889	1.6
81.06971	17.5
81.50659	1.9
86.91840	1.7
89.58836	1.7
91.05403	6.8
93.06966	15.5
95.04887	23.6
95.08530	23.4
97.06461	3.6
98.83774	2.1
99.08028	3.0
105.06971	9.6
107.08530	12.2
109.06475	29.4
109.10181	2.7
114.09114	11.5
117.06979	1.7
119.08544	7.2
121.06454	2.9
121.10104	3.6
123.08031	2.2
128.10710	4.3
131.08507	3.4
133.10112	7.5
134.99625	3.1
135.08025	2.0
145.10135	2.4
147.11696	2.7
149.13242	1.9
163.91214	2.0
165.12717	100.0
173.13278	7.6
175.11162	2.8
180.13861	2.9
182.15424	7.7
212.16339	2.8
220.16830	2.7
231.97479	2.0
236.20088	20.7
271.20456	2.5
289.21634	4.4
316.26367	2.1
334.27368	44.0
335.21756	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	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	2.0
54.81126	2.1
55.01816	3.6
55.05442	8.9
56.96499	2.0
57.07008	9.5
59.28895	1.6
67.05420	17.5
68.40872	1.9
69.03336	1.7
69.06978	9.7
71.04931	1.8
71.08549	9.8
72.04433	92.7
79.05402	11.1
81.06972	15.7
83.08531	2.7
85.06454	3.1
85.29606	2.3
85.30232	2.1
91.05417	4.6
92.10808	3.0
93.06960	14.4
95.04881	23.1
95.08540	22.3
97.06461	9.2
105.06968	7.4
107.08512	13.2
109.06461	33.5
109.10114	3.4
114.09121	16.2
119.08551	5.2
121.06442	2.9
123.08018	2.8
126.71729	2.2
128.10681	3.4
131.08530	4.3
133.10089	5.1
138.07330	2.2
145.10136	2.6
147.11667	3.0
165.12730	100.0
173.13159	3.7
182.15361	4.1
184.13303	2.1
186.96722	2.9
191.14325	8.4
204.97862	2.8
212.16429	2.1
220.16971	3.7
236.20039	19.0
289.21497	4.0
334.27347	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	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16738	1.5
55.01805	4.6
55.05448	4.5
57.07011	11.7
59.31112	1.9
67.05431	8.4
67.87421	1.7
69.06993	9.1
70.67992	1.6
71.08549	14.4
72.04431	98.2
73.12715	2.0
79.05410	9.6
81.06976	16.9
85.06467	3.3
89.05950	2.9
91.05402	7.6
93.06422	2.0
93.06956	13.7
95.04899	27.3
95.08540	23.5
97.06481	2.1
98.98386	16.0
99.08026	2.4
105.06976	8.2
107.08559	13.1
109.02833	2.4
109.06469	33.8
109.10118	4.4
114.09129	13.0
119.08539	4.9
121.06433	2.7
121.10057	2.1
123.08051	3.1
126.30849	1.9
128.10672	3.0
131.08551	2.4
133.10100	8.3
142.12242	3.5
147.11615	2.6
149.13194	2.6
151.09642	2.2
159.11676	2.3
165.12714	100.0
166.13077	2.2
173.13223	9.4
175.11145	3.1
179.14340	2.5
182.15421	4.8
184.01317	2.3
191.14319	2.6
208.87265	2.4
212.16498	3.6
230.95724	2.2
236.20039	19.6
271.20584	3.8
289.21600	4.5
334.23752	3.5
334.27350	51.3
334.54745	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	6.0
55.05449	6.6
57.07003	8.6
58.86441	1.3
67.05428	13.1
69.03343	1.4
69.06985	8.7
71.08550	12.4
71.26922	1.0
72.04431	97.3
76.56384	1.1
79.05408	8.3
81.06972	18.0
83.08530	1.3
85.06464	2.6
91.05409	6.7
93.06988	13.5
95.04897	20.8
95.08543	22.1
97.06464	5.1
98.98402	8.4
99.08021	2.5
100.07526	2.3
102.00615	1.4
105.06982	6.8
107.08534	14.7
109.06472	33.8
109.10114	4.7
114.09122	13.2
114.97224	1.2
117.06938	2.7
119.08546	8.6
121.06448	4.7
121.10090	2.8
123.08047	2.5
128.10663	6.7
131.08533	5.9
133.10078	9.1
133.55927	1.3
135.08041	5.0
135.27042	1.2
137.09680	1.2
142.12257	2.2
145.10075	2.6
147.11653	5.1
149.13239	2.5
156.13866	1.6
163.14856	1.6
165.12718	100.0
169.28836	1.2
173.13228	5.0
182.15372	6.8
191.14310	6.3
201.12756	1.4
212.16428	4.6
220.16977	6.1
228.02507	1.3
229.19328	1.5
236.20006	15.1
250.20776	1.4
267.57385	1.2
271.20551	2.2
289.21423	4.8
316.26282	2.0
334.23642	2.0
334.27289	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81652	1.0
56.04984	9.1
57.07008	9.1
58.06539	13.1
60.04447	2.3
60.64427	0.8
66.09628	1.0
70.06500	1.1
71.08552	4.2
72.08063	3.7
72.22611	1.0
74.05994	8.7
75.04375	1.2
85.10143	1.2
86.05966	7.1
88.07552	80.7
90.46253	0.9
100.07541	1.6
104.07040	6.7
112.15137	0.8
118.08611	1.2
132.10181	18.2
147.48097	1.1
162.11270	7.0
166.10718	2.1
242.24733	55.3
286.27396	17.2
316.28571	1.4
334.29453	100.0
335.21838	22.0
335.29733	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	334.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85880	0.7
54.82036	0.9
55.05449	1.1
57.06773	0.8
57.07010	14.6
58.06519	4.1
59.73655	0.6
61.09490	0.7
61.70755	0.6
63.63131	0.6
63.94624	0.6
67.05397	0.9
69.06972	1.2
69.52402	0.8
70.06507	41.3
71.08539	1.9
72.08062	5.5
78.34104	0.6
81.06918	0.7
84.08050	5.1
85.10102	1.4
86.09622	8.9
87.04363	0.9
88.07555	11.2
89.05932	1.3
98.97503	1.3
101.77731	0.7
102.09106	6.1
114.09087	0.9
132.10155	14.1
146.11726	17.7
163.48299	0.8
182.73511	0.8
184.20558	5.3
210.22112	1.2
221.00450	0.7
228.23178	17.0
272.25772	72.5
273.26132	1.7
334.29425	100.0
335.29733	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	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	1.0
56.96477	0.6
57.00852	0.6
57.07009	10.4
58.06517	0.9
60.09427	0.5
67.05417	0.7
69.06982	1.3
70.06143	1.0
70.06505	27.9
71.08536	2.9
79.05425	0.6
84.08057	3.5
85.10085	2.7
85.86503	0.6
86.05988	1.0
86.09607	1.1
87.88397	0.6
88.07547	25.6
92.63203	0.6
95.08491	0.7
102.05638	0.6
102.09109	3.1
104.69243	0.7
106.08633	0.7
114.09104	13.8
116.98555	0.6
118.08585	1.2
118.22613	0.7
130.08591	0.7
132.10164	39.9
134.99634	0.8
135.73233	0.6
145.02617	0.6
162.11137	1.0
176.12776	4.7
194.13846	6.8
203.38492	0.7
214.21642	3.1
228.23192	9.9
246.24220	5.1
290.26785	3.6
334.29431	100.0
335.13928	1.1
335.29712	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	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38415	2.1
55.05455	71.5
56.96510	11.9
57.03370	12.6
57.07010	93.7
64.87747	3.3
67.05428	71.0
69.03313	3.0
69.06989	100.0
71.04897	3.5
71.08550	30.4
75.51643	2.6
79.05422	25.0
81.06973	88.0
83.04902	4.4
83.08545	79.6
85.06462	5.2
85.10121	23.0
85.10573	2.7
91.05403	20.0
92.10327	4.2
93.06967	39.7
95.04906	6.1
95.08533	88.7
97.06444	5.5
97.10094	53.1
105.03339	13.7
105.06978	17.3
107.08530	27.8
109.10113	49.1
111.11673	18.5
113.09589	12.6
119.08538	23.9
121.10152	14.5
123.08001	4.2
123.11690	14.6
123.32523	2.9
125.13245	4.9
127.11159	6.4
133.10132	19.3
135.11694	10.4
137.09538	3.5
137.13156	4.4
139.11101	4.8
141.12645	3.7
147.11703	16.0
149.02271	5.0
149.05945	3.5
149.13292	4.0
151.11142	5.1
161.13199	5.5
163.14804	3.5
165.12738	4.4
173.11688	2.9
175.14844	3.5
179.14137	2.8
189.16293	4.5
197.01199	4.4
215.02255	3.5
235.24121	3.1
245.22469	24.1
263.23688	25.3
276.41797	2.7
281.24661	32.8
299.25699	47.3
334.20483	4.7
335.21829	58.6
335.25760	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	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73890	0.9
55.05444	7.6
56.04984	3.9
56.96493	2.0
57.03370	1.0
57.07001	4.8
60.04454	100.0
65.62270	1.0
67.05417	14.9
69.06984	8.0
70.06490	1.5
72.04419	4.6
74.06007	1.1
74.73492	1.0
79.05405	5.5
81.06964	15.5
82.06541	1.5
83.08538	6.7
91.05396	5.3
93.06963	7.0
94.06480	1.3
95.04889	1.9
95.08531	15.3
97.10082	1.7
98.97513	1.9
105.05944	1.2
105.06982	1.8
107.08517	1.9
109.10122	6.1
116.07050	1.5
116.98550	5.1
119.08456	1.9
121.10053	1.9
123.11707	1.4
134.99620	6.5
147.88957	1.3
186.41823	1.3
280.26303	5.1
298.27359	8.8
316.28381	23.6
334.20566	8.3
334.23706	5.9
334.29410	31.4
335.21515	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.7
55.01801	1.7
55.05452	56.2
56.01324	1.0
57.06993	1.8
67.05433	10.7
68.27583	0.6
68.76417	0.7
69.03336	0.9
69.06988	21.1
70.06514	17.7
72.08070	94.2
79.05400	1.6
81.06973	11.2
82.24427	0.7
83.08533	5.3
91.05389	0.9
93.06947	3.2
95.08532	9.5
97.06460	0.9
97.10114	0.9
98.05985	100.0
109.10102	4.2
113.08327	1.5
114.53465	0.8
123.11743	1.1
126.09123	11.4
137.57741	0.8
140.10670	13.7
154.12256	5.4
168.13779	5.2
170.93265	0.8
182.15378	4.1
191.00935	0.8
196.17024	1.1
208.16869	0.8
224.20074	1.2
263.83344	0.9
334.30957	89.3
335.21887	1.4
335.31345	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	334.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	2.7
55.05455	58.6
56.01329	1.7
57.07010	1.6
59.71782	0.7
67.05431	11.1
69.03378	1.0
69.06992	17.4
70.06148	0.7
70.06512	15.9
72.08072	97.9
79.05399	2.6
81.06979	12.1
83.08539	5.3
91.61521	0.6
92.10271	1.3
93.06982	1.7
95.08532	8.9
97.06433	1.0
97.10090	1.2
98.05990	100.0
101.79678	0.7
109.10100	3.2
113.08336	4.3
114.09077	1.2
121.10087	0.9
123.11617	1.0
126.09121	9.8
133.10149	0.8
140.10706	10.0
154.12234	6.2
165.69936	0.6
168.13802	4.1
182.15361	3.1
196.17023	1.7
210.18431	0.9
224.20018	2.5
250.21710	0.9
287.82132	0.7
323.56323	0.9
334.30972	85.9
335.31320	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	335.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04967	1.2
56.96500	2.2
60.32681	0.9
61.87482	0.9
67.05397	1.7
69.03333	1.4
70.06503	1.2
70.55537	1.1
71.04905	1.2
72.08015	1.6
79.05406	2.0
81.03320	1.8
81.06934	1.3
84.08068	100.0
85.02805	2.1
89.03852	1.3
91.05378	2.5
93.06962	5.5
95.08527	2.5
101.04179	38.4
104.98264	4.7
105.06960	2.2
116.98571	1.9
119.04932	1.3
127.05728	16.5
130.08627	10.7
137.04088	3.8
145.02792	2.7
146.05988	37.1
147.04387	1.6
147.11246	4.8
161.04492	31.1
162.05472	1.6
171.02972	7.3
174.05470	1.7
177.05417	5.2
189.03986	44.9
192.06541	1.4
272.11307	9.4
282.02719	2.3
325.93661	1.3
335.10764	2.2
335.14517	37.6
335.18530	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	1.4
55.01801	0.2
55.05432	0.2
56.96490	0.2
57.03372	1.2
61.02845	0.2
68.99070	0.2
69.03349	3.5
71.04898	1.2
73.02820	0.4
81.03338	6.4
81.04625	0.2
84.04413	1.1
84.08054	0.3
85.02830	2.5
91.05415	0.4
97.02818	1.8
98.97480	0.3
99.04365	1.8
109.02828	4.6
115.94953	0.2
118.06493	3.6
124.81004	0.2
127.03888	4.2
128.04910	4.2
130.06499	14.9
130.58514	0.2
132.04410	6.3
134.99657	0.3
144.06595	0.3
146.05991	100.0
147.04413	0.3
147.06317	0.8
174.05472	13.3
192.06525	4.1
199.05766	0.2
258.00165	0.2
300.08618	0.3
308.11096	0.2
318.09625	1.1
336.10730	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	336.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81752	3.4
55.05441	24.2
57.07006	4.9
67.05417	16.9
69.06981	21.7
71.08548	34.3
72.04423	21.2
79.05399	6.6
81.06975	33.4
89.05947	4.9
91.05389	5.2
93.06955	24.9
95.08531	23.3
97.06464	4.8
97.10082	5.9
99.08038	7.6
105.06964	5.9
107.08555	8.0
109.06472	9.6
109.10069	9.2
109.23022	3.7
114.09101	5.0
118.10769	3.7
119.08525	4.7
149.13248	6.3
161.15642	3.6
165.12714	17.4
166.45805	4.4
193.15800	4.1
193.44020	3.9
238.21590	16.0
291.23053	24.5
336.28934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26709	2.4
52.00502	2.2
53.19745	2.5
54.82034	2.8
55.05448	13.1
62.22881	2.9
67.05415	11.3
69.06973	14.1
71.08554	23.2
72.04428	66.3
73.03675	2.8
79.05420	6.0
81.06985	18.6
91.05421	3.8
93.06979	18.1
95.08536	17.1
99.08031	4.8
105.06940	6.4
107.08527	6.8
109.06503	4.0
109.10106	3.8
114.09142	5.9
119.08497	4.0
142.32036	2.8
165.12744	12.3
165.96266	2.7
201.41292	3.1
238.21651	20.1
291.23145	5.8
336.28903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29161	3.4
55.05446	17.5
57.06771	4.8
57.07014	79.9
67.05419	21.8
69.06979	23.1
71.08549	53.4
74.12987	3.9
76.53155	3.6
81.06974	21.1
83.08527	6.3
85.10101	20.4
86.64046	3.7
89.05956	100.0
90.57698	3.1
95.08522	20.9
97.10090	6.5
106.71349	4.0
107.07022	3.7
109.10072	4.5
110.84081	4.6
111.11647	3.9
121.10131	4.6
133.08533	16.3
134.59521	3.6
143.54755	3.9
151.09610	51.8
276.28702	4.3
319.28442	22.4
337.27136	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	336.3256
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
50.42531	1.3
52.37518	1.6
54.00429	1.3
54.81462	2.0
55.05445	34.2
56.01331	1.4
56.31422	1.4
57.07000	8.1
62.83863	1.4
68.02451	2.0
69.03339	2.0
69.06981	3.8
70.04003	2.2
70.06498	3.2
72.08065	48.9
85.10141	1.6
89.05936	11.1
89.37748	1.7
94.78407	1.6
98.05975	73.1
99.09189	2.2
118.77712	1.7
125.15040	1.7
126.09113	3.5
132.21782	1.6
140.10654	7.3
151.09648	6.8
154.12242	3.4
155.15395	4.0
168.12492	3.0
180.14949	2.8
224.18633	12.1
280.24884	15.1
336.32455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3258
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
53.00243	2.2
53.03877	1.0
55.00982	0.9
55.01810	0.8
55.05455	44.7
57.07014	100.0
58.83640	1.1
62.62768	0.9
66.34820	1.0
67.05432	16.2
68.75713	0.9
69.06990	47.3
71.08531	2.3
72.04437	2.2
72.08067	1.6
74.09235	2.1
74.09634	58.4
79.05397	4.5
81.06978	22.3
83.08534	15.8
85.10123	2.0
86.05979	8.4
89.05967	1.7
91.05401	2.1
92.10333	1.6
93.06976	4.6
95.08543	19.9
97.10098	10.8
100.07544	4.4
105.06937	1.6
107.08533	1.8
109.10133	9.5
111.08041	1.6
119.08549	1.6
123.11626	2.2
128.10654	1.8
133.10114	2.0
137.13210	1.1
142.12256	6.6
147.11734	1.2
156.13794	4.9
170.15355	6.5
184.16908	4.1
196.16875	1.1
198.18489	1.3
210.18201	1.1
240.23178	1.5
245.22650	2.2
254.24744	2.1
265.38495	1.1
266.24725	1.1
280.26334	1.3
293.35663	1.1
336.28629	1.7
336.32541	52.2
337.32767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33165	1.3
53.00235	1.9
53.03877	1.7
55.01804	1.9
55.05453	57.2
57.06738	3.4
57.07013	100.0
58.06531	1.6
64.03374	1.4
67.05429	20.1
67.98925	1.4
68.77248	1.5
69.06989	46.9
71.08536	7.4
71.81313	1.7
72.04458	2.6
72.08072	8.2
74.09632	57.4
79.05410	6.4
81.06973	32.0
83.08549	21.6
85.10104	3.3
86.05980	7.9
89.05949	7.6
91.05421	2.8
93.06940	4.0
95.08527	21.8
97.06496	2.2
97.10098	10.5
98.05953	3.1
100.07553	3.2
105.06960	1.9
107.08533	2.9
109.10097	9.1
114.09142	1.8
123.11645	2.5
142.12253	3.5
151.09619	3.8
156.13866	7.3
158.65721	1.7
170.15405	3.3
184.16920	3.0
233.57533	1.5
240.23250	2.0
245.22621	2.2
280.26102	2.4
336.28650	3.2
336.32523	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81922	2.2
55.01802	3.1
55.05197	3.5
55.05454	90.6
56.79205	2.8
57.06071	2.2
57.07002	29.9
61.30103	2.2
67.05077	3.2
67.05427	71.9
68.92490	2.5
69.06989	84.9
70.06490	4.2
71.08536	15.8
72.08086	3.8
76.01405	2.3
76.74863	2.4
79.05400	21.1
81.06974	100.0
83.04904	3.2
83.08540	49.8
84.08077	2.6
84.52695	2.6
86.05985	4.7
90.00631	2.5
91.05394	15.0
93.06965	21.9
95.08525	83.4
97.06461	10.5
97.10088	28.7
100.07539	12.3
105.06988	17.6
107.08513	17.9
109.10100	40.4
114.09116	4.8
119.08518	16.6
121.10081	16.0
123.11659	14.2
125.09565	3.9
133.10062	13.1
135.11653	11.8
142.12250	2.6
147.11661	5.8
149.13222	5.4
161.13252	4.5
169.74725	2.5
175.14825	3.6
191.18140	2.4
250.24442	2.9
301.28973	23.3
319.29825	33.8
336.32416	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81447	0.6
55.05392	0.4
56.96502	37.0
57.03344	0.4
59.52427	0.3
64.22260	0.3
68.77229	0.4
69.03339	0.7
70.06500	0.6
72.08065	0.6
74.97506	0.8
79.05373	0.5
81.03357	0.4
91.05397	2.9
92.98560	0.6
93.06915	0.5
97.02781	0.7
98.97481	3.6
106.96395	0.4
112.99060	2.0
115.58463	0.4
116.98553	6.1
119.04893	4.1
119.08501	0.4
123.74361	0.6
128.93666	0.4
130.06439	1.6
131.00114	5.6
134.99619	5.7
144.74086	0.5
145.02773	0.8
146.05986	10.6
147.04410	9.2
147.06253	5.1
148.04762	0.8
149.01205	11.1
149.05962	0.5
153.00731	1.4
159.01051	0.4
162.01514	0.5
162.05455	1.6
167.02248	3.6
169.01639	2.4
174.05476	0.9
176.98668	0.5
177.05312	0.6
181.01624	0.7
187.02724	4.3
191.00232	0.9
191.02216	3.3
191.07005	0.6
193.01614	3.3
195.03242	6.7
197.01042	0.5
202.99969	1.5
209.01163	4.7
209.03053	1.0
211.02751	16.7
213.04303	25.4
215.02205	0.6
220.99200	0.5
221.00983	3.4
227.02075	0.8
229.03838	3.1
231.05351	5.9
239.02216	50.0
240.02654	0.7
257.03253	100.0
258.03638	2.3
262.03796	1.9
265.03827	1.9
275.04309	2.7
277.03589	0.6
280.04901	2.1
283.04849	0.8
295.04788	7.8
313.05844	7.1
337.05820	12.3
355.06882	3.7
356.06863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01526	2.5
51.60656	3.0
53.92683	2.9
61.33412	3.0
69.04623	2.8
70.06506	82.2
91.97839	3.5
116.07041	74.9
126.08549	3.2
138.05466	16.3
143.64851	3.0
337.08838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81571	1.8
56.96494	3.3
59.85702	1.5
69.03351	2.3
70.06519	3.4
72.08060	2.1
74.02352	2.1
78.47624	2.0
82.29068	1.8
84.04440	4.6
85.02821	3.9
91.05443	1.9
91.82274	1.8
103.16747	1.9
116.98636	2.6
117.44814	1.8
118.06487	3.0
120.08042	3.2
130.06468	18.3
132.04434	3.6
132.56889	1.7
134.99574	2.8
144.08055	2.7
146.05974	18.9
147.06345	2.0
175.42082	1.8
247.08598	25.7
248.08917	23.4
274.56256	2.0
291.13052	2.2
332.90863	1.9
337.08847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07006	1.5
58.55618	1.4
70.06509	2.7
84.04422	7.3
85.02826	2.5
86.52197	1.7
115.35648	1.7
116.98592	1.8
130.06485	15.0
131.06848	3.2
132.04422	2.2
132.35059	1.6
146.06024	20.4
174.05428	1.8
227.06056	2.0
247.08603	18.8
248.08989	10.1
263.79346	2.0
273.10138	1.9
282.03448	1.9
334.80368	1.8
337.08871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82144	0.6
55.05452	0.6
56.96492	0.8
69.03342	1.1
70.06484	2.4
72.08067	14.3
81.03348	0.7
84.08031	0.6
84.91103	0.6
85.02826	0.9
89.10702	3.6
91.05412	4.2
98.97502	2.3
116.98557	2.8
117.03321	3.2
119.04890	4.7
129.91949	0.5
130.06511	0.8
132.02036	1.2
134.99586	1.2
142.92300	0.5
145.02837	4.6
146.05977	3.4
147.04404	7.0
149.05917	0.8
160.01511	6.7
162.03061	4.1
162.05415	1.1
175.03874	3.2
177.05431	3.3
178.02576	6.8
182.70045	0.5
189.75830	0.6
190.02544	0.6
193.04890	5.5
203.03345	4.2
203.83044	0.5
205.04924	11.0
206.02089	4.8
221.04402	100.0
222.04803	0.6
231.67345	0.6
237.02635	0.7
249.03810	3.9
276.12161	1.1
282.02737	0.9
320.11176	5.7
337.13855	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	337.1542
Annotation	21-Oxogelsemine
Peak:m/z	Relative Intensity
51.21724	0.2
63.02299	0.4
63.67503	0.2
70.14082	0.2
78.04602	0.2
89.03836	11.8
91.05409	0.5
92.10287	1.0
103.05418	0.9
106.04158	0.9
117.03332	47.7
117.06950	1.4
118.03585	0.2
119.04854	0.4
124.05135	0.4
131.30844	0.2
134.03587	3.4
135.04402	3.6
143.07278	1.0
144.08069	16.0
145.02826	100.0
146.03152	0.5
147.04399	0.3
149.05960	16.6
158.05951	0.3
162.02994	0.4
163.03851	0.9
177.05437	99.4
178.05757	1.3
186.05463	1.1
331.21280	0.2
337.15359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96514	0.3
58.41236	0.2
58.79414	0.2
63.02295	0.3
69.91403	0.2
75.27051	0.2
78.04633	0.3
81.06983	0.2
85.23795	0.2
87.02488	0.3
87.03056	0.3
89.03844	14.4
89.04393	0.6
91.05402	1.4
103.05420	1.1
106.04135	0.4
115.05387	0.4
117.03332	48.5
117.06972	1.6
124.05166	0.3
134.03635	3.4
135.04384	3.9
143.07292	1.0
144.08069	20.0
145.02829	99.1
146.03149	1.1
147.04347	0.3
149.05962	16.0
161.10745	0.5
162.03123	0.4
163.03883	1.4
177.05438	100.0
178.05760	1.4
186.05469	1.8
223.21768	0.3
292.36752	0.3
337.15436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	5.9
55.05440	7.6
57.03370	3.0
59.25574	1.2
63.56919	1.1
65.03848	2.0
67.05443	9.9
69.03350	16.2
69.06985	2.5
70.06509	1.5
71.04911	2.6
72.08065	39.5
73.02821	1.6
73.08385	1.3
77.96204	1.4
79.04965	1.5
79.05408	37.0
81.03352	13.6
81.06976	19.3
83.04877	8.0
84.08067	2.7
85.02823	16.2
91.05405	81.7
92.05737	2.1
92.10233	2.8
93.06976	20.6
95.04903	23.5
95.08536	2.8
97.02825	10.8
97.06445	3.3
97.67414	1.5
98.97514	1.7
99.04383	2.9
101.64799	1.3
103.03843	1.4
103.38268	1.6
105.03390	1.6
105.06264	2.5
105.06974	66.4
107.04908	20.5
107.08532	9.8
109.02828	2.9
109.06457	7.1
111.04395	3.2
115.05386	3.2
116.98540	2.1
117.06949	22.6
119.04901	48.4
119.08543	25.6
120.05209	1.7
121.02820	1.9
121.06450	11.4
123.04346	1.7
123.08020	2.5
123.40289	1.3
125.05933	5.8
127.03849	3.4
127.74738	1.4
128.06183	5.4
129.06956	13.7
130.07652	1.8
131.08536	29.8
133.06462	14.4
133.10091	43.1
135.07983	2.8
137.05960	15.7
139.07536	2.0
141.06956	2.8
142.07715	2.1
143.08548	10.5
145.02831	2.5
145.06424	15.4
145.10088	18.6
146.05971	9.2
146.95190	1.5
147.04391	100.0
147.06313	9.1
147.08014	15.5
147.11658	18.6
148.04692	7.8
149.05914	2.2
151.11092	1.9
155.08539	3.5
157.06470	1.7
157.10089	6.7
159.07970	5.5
159.11687	1.7
163.03905	2.2
165.07025	2.0
169.10139	1.8
171.11739	1.9
173.09570	9.7
175.11145	11.4
177.05403	3.0
183.11577	2.2
185.09583	5.3
187.11084	2.2
189.12772	1.7
193.12218	2.9
199.11043	1.8
201.05414	7.6
203.10680	1.8
215.08238	1.7
215.10454	2.1
217.12125	2.3
221.23590	1.7
233.11707	2.1
235.04802	1.4
235.07338	2.4
237.12645	1.8
255.17249	1.5
256.06033	1.6
263.06900	2.3
291.06549	2.7
301.14194	2.5
319.15311	9.3
323.09100	11.2
337.12653	2.4
337.16257	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	337.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	16.3
56.72009	0.9
57.03374	9.8
57.03605	1.0
57.07002	1.6
58.70306	0.9
67.05128	1.3
67.05431	24.3
69.06995	13.4
79.05405	4.6
81.06974	19.9
83.08527	5.2
91.05384	4.8
92.10355	1.3
93.06969	6.2
93.57402	1.1
95.08550	14.3
97.10098	1.8
105.06984	2.5
107.08570	1.5
109.10091	5.1
119.08519	1.8
121.10113	2.0
123.11658	2.2
141.73775	1.0
216.83257	1.0
337.23361	100.0
337.27289	21.2
338.23706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.00264	1.6
53.03895	1.9
54.81325	2.3
55.05194	2.1
55.05453	51.1
57.03373	29.2
57.07008	4.1
67.05086	4.2
67.05431	96.5
68.12760	1.9
69.06989	48.5
79.05409	25.2
81.06515	4.3
81.06977	96.4
83.08543	21.2
91.05435	14.9
92.10848	3.9
93.06983	20.8
95.08533	62.1
97.10081	7.5
105.06979	11.7
107.08540	10.1
109.10113	19.4
112.05102	1.7
119.08531	3.9
121.10076	2.9
123.11667	3.4
124.61842	1.7
133.10086	7.5
147.11682	2.7
161.13187	2.5
221.00519	2.1
236.93831	2.1
249.95990	1.9
273.43121	1.8
337.27298	100.0
338.27567	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	338.1231
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
53.03876	0.2
69.03358	0.2
81.03330	1.8
83.35023	0.2
90.41322	0.2
96.13390	0.2
103.05379	0.7
109.02785	0.6
130.06493	100.0
131.06839	0.9
146.06000	0.2
147.06271	0.2
159.69005	0.2
176.06987	1.2
227.12074	0.2
320.11072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1234
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
53.03875	0.2
53.63585	0.1
56.65441	0.1
58.39215	0.1
65.29221	0.1
69.03345	0.2
74.95945	0.1
78.57758	0.1
81.03333	2.4
85.02843	0.2
99.04395	0.2
102.00431	0.1
103.05410	0.6
109.02847	0.5
128.04950	0.1
130.06500	100.0
131.06860	0.9
134.99646	0.1
141.83200	0.1
145.02849	0.1
146.05957	0.8
147.06377	0.2
148.06648	0.2
157.05119	0.1
176.07072	1.6
177.05510	0.2
305.45340	0.1
320.11124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	0.6
55.05433	1.9
55.74031	0.6
56.96487	4.9
58.25865	0.6
59.24818	0.6
62.06012	10.6
65.03849	1.4
67.05414	3.6
69.06965	0.8
69.96852	0.6
70.23190	0.7
71.08548	0.7
76.02097	0.7
76.69093	0.8
77.03851	1.1
79.05382	3.2
80.07937	0.6
81.03333	1.2
81.06963	4.2
84.04409	1.9
89.13122	0.7
91.05399	60.4
93.06950	1.5
95.04887	3.4
98.97511	8.6
108.04523	0.9
109.10091	0.9
116.98577	11.7
117.03333	1.2
118.04075	1.4
119.04887	78.6
120.05202	1.0
122.03611	0.9
129.03311	0.9
131.04886	0.9
132.02046	3.4
133.10054	1.2
134.99631	10.4
135.04393	1.0
145.02798	4.7
147.04382	64.4
149.02284	3.2
151.11119	1.1
152.16602	0.8
157.03906	5.2
158.01256	0.9
163.03725	0.9
164.04572	1.9
173.98915	0.9
175.03860	94.6
176.04160	1.0
177.05414	3.4
179.06973	7.4
188.42842	0.8
191.99982	0.9
196.13278	1.1
207.06477	100.0
208.06831	1.2
214.14328	1.7
250.97443	0.8
274.97452	9.2
292.98544	12.3
293.21051	1.3
308.61139	0.8
320.25671	6.2
346.03549	1.7
364.04620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2689
Annotation	Linoleoyl glycine
Peak:m/z	Relative Intensity
55.05453	14.9
57.07009	15.5
65.00043	7.4
67.05427	100.0
69.06991	18.6
73.03430	7.6
76.03909	97.3
79.05409	38.5
81.06969	77.7
81.52308	8.0
83.08517	14.2
93.06957	43.5
95.08541	84.7
98.97539	18.4
105.07005	9.1
107.00895	8.8
107.08549	10.5
107.42834	8.4
109.10081	9.7
116.98571	43.9
121.10082	10.8
134.99641	36.0
137.15468	8.3
205.68140	9.4
250.07266	9.2
271.33426	9.6
274.97610	28.8
292.98526	35.7
339.28891	13.0
340.60223	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	6.0
57.06984	1.6
57.09191	1.4
58.06536	100.0
59.50725	1.2
63.39796	1.2
67.05435	17.4
69.06990	10.7
76.07157	3.1
76.07559	64.0
79.05395	6.6
81.06985	16.7
83.08543	3.0
91.05393	2.6
91.12158	1.4
93.06961	7.1
95.08539	12.4
98.97517	6.3
107.08582	1.9
109.10099	3.0
116.98570	7.2
120.13214	1.5
126.64304	1.5
133.06458	13.1
134.99640	8.4
189.12715	5.9
245.58324	2.0
250.97182	1.5
256.78717	1.7
274.97354	3.7
292.98587	6.9
320.29471	7.4
338.30273	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	338.3413
Annotation	13Z-Docosenamide
Peak:m/z	Relative Intensity
51.06026	0.4
51.16344	0.4
55.05443	2.0
55.24021	0.3
55.88010	0.4
57.07012	4.9
57.23270	0.4
63.00085	0.4
64.33161	0.4
69.06990	0.6
70.06502	2.0
71.08540	1.9
72.08067	37.5
77.56750	0.3
83.08497	0.4
85.10098	0.5
98.05977	2.1
99.14304	0.4
126.09062	1.5
128.10661	2.5
131.02548	0.5
142.12260	2.8
152.84845	0.5
156.13870	1.5
195.19777	0.5
288.97220	0.5
290.86499	0.4
301.16815	0.5
338.34088	100.0
339.34332	3.2
349.44458	0.4
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	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.16209	0.2
52.45456	0.2
56.96511	0.4
62.64971	0.3
63.02300	0.4
69.03336	0.4
78.04624	0.5
81.03354	0.5
89.03828	6.5
91.05390	1.0
92.10832	0.4
97.02830	2.6
98.97527	3.3
106.04089	0.3
109.64391	0.3
116.98589	2.4
117.03326	28.8
119.04907	0.7
124.05158	0.4
134.03604	1.4
134.99632	1.6
135.04398	2.3
143.29321	0.3
145.02824	77.6
146.04753	0.3
147.04401	1.4
149.05957	11.7
162.03143	0.3
163.03870	0.5
177.05434	100.0
178.05768	0.4
186.05428	1.1
220.02896	0.3
220.99396	0.3
274.97507	1.6
292.98499	1.8
339.10751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.20193	0.4
53.03874	1.1
55.01797	0.9
56.96482	0.4
57.03360	0.9
65.03876	0.6
69.03333	0.7
70.06503	5.4
71.04893	2.8
72.08069	0.7
76.56803	0.5
81.03338	2.7
81.23634	0.5
84.04444	0.7
84.08076	0.7
85.02803	2.0
89.03832	11.0
91.05402	5.7
97.02828	7.6
98.97503	3.2
99.04388	5.1
103.05391	0.7
104.47470	0.5
109.02818	0.9
110.07067	0.7
112.70835	0.5
116.98557	3.5
117.03323	33.6
119.04895	14.0
127.03872	2.5
130.06490	29.0
131.06844	13.2
134.03592	2.9
134.99606	2.4
135.04369	2.6
136.82637	0.4
145.02824	87.3
147.04381	30.4
148.04710	1.0
149.04906	0.5
149.05968	12.0
162.05470	0.6
163.03831	1.1
176.07071	0.6
177.05431	100.0
177.19513	0.5
195.06519	4.6
227.94101	0.5
274.97495	2.5
292.98483	3.8
339.10706	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	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
54.81757	0.6
56.96502	0.5
58.98304	0.4
62.79529	0.4
69.03333	2.1
78.79800	0.4
79.05410	0.4
81.03325	3.3
81.06950	0.6
81.24405	0.4
84.09478	0.4
85.02823	0.5
89.03841	7.3
91.05401	4.9
92.05743	1.6
97.02822	2.7
98.97504	6.2
106.37772	0.4
109.02859	0.5
116.98569	9.1
117.03332	31.5
119.04898	7.2
119.66224	0.5
120.05237	2.9
130.06514	0.6
132.63191	0.5
134.03604	2.2
134.99628	7.6
135.04375	2.6
145.02827	86.0
147.04398	12.2
148.04709	5.1
149.04959	1.3
149.05992	11.5
153.00690	2.0
162.05518	0.8
163.03778	0.5
163.05826	0.9
176.06995	3.0
177.05438	100.0
178.05725	0.8
186.05511	1.1
190.95444	1.8
191.08083	0.5
192.08565	0.6
234.10480	0.5
250.97464	0.7
274.97430	5.2
292.98508	7.8
321.09637	1.1
334.05499	0.5
339.10678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.04961	0.4
56.96482	2.7
65.03854	0.9
69.03342	0.9
69.37122	0.4
69.49634	0.4
70.06503	2.0
72.08044	0.8
80.21124	0.4
81.06932	0.5
84.04418	1.8
84.08052	0.7
85.02824	1.1
91.05400	18.0
92.63975	0.6
97.02744	0.6
98.97504	7.8
100.07499	0.5
104.99221	0.7
116.98568	9.8
119.04887	48.5
127.29755	0.5
128.98506	0.8
129.49832	0.5
130.06491	0.9
134.99623	8.2
141.38007	0.5
146.05975	0.8
147.04378	100.0
153.00671	2.2
177.05472	0.6
190.95421	0.6
208.96387	0.7
222.04817	0.9
223.04999	0.6
232.96443	0.5
274.97470	6.9
292.98492	9.8
339.10159	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59261	0.4
55.05434	0.6
56.54117	0.5
56.96495	2.0
58.10026	0.5
61.29821	0.5
69.03333	2.3
70.06520	1.9
72.08063	1.1
73.03677	0.5
79.05399	0.5
80.84314	0.4
81.03326	2.0
81.06964	0.7
81.14103	0.4
84.04432	0.8
84.08093	0.9
85.02815	2.1
89.03831	7.3
91.05379	2.9
93.18272	0.4
97.02809	2.2
98.97515	9.1
106.25777	0.6
116.98564	10.9
117.03320	26.8
119.04891	4.5
129.10204	0.5
130.06487	10.3
131.06813	4.4
134.03600	1.0
134.99623	10.2
135.04369	2.8
145.02818	74.9
146.03142	1.0
146.05997	11.0
147.04390	9.1
147.06265	4.3
149.05966	12.0
153.00688	3.3
163.03885	1.2
174.05464	0.7
176.07097	0.6
177.05426	100.0
178.05740	2.7
191.57736	0.6
208.96426	0.6
232.96509	0.6
250.97568	0.8
274.97470	6.6
292.98474	9.3
316.00308	0.5
338.17786	0.6
339.10855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	0.9
53.03896	7.2
53.57444	0.6
54.82019	0.7
55.01805	5.1
55.05438	3.1
57.03375	9.2
61.02857	8.8
68.99712	1.9
69.03351	54.9
71.01266	0.8
71.04906	4.4
73.02830	6.4
73.06472	9.8
75.58485	0.7
80.68006	0.7
81.03337	30.4
82.58552	0.8
85.02831	100.0
87.00759	61.3
87.01227	0.9
92.10868	0.9
97.02828	20.3
98.97514	4.0
99.04382	12.4
101.02295	1.3
101.05946	5.0
105.01813	35.6
109.02827	18.6
116.98576	3.6
117.01841	1.0
122.96003	0.8
127.03877	45.4
129.01799	1.0
134.99623	3.7
145.04924	8.3
147.04388	0.9
158.99670	1.0
159.02864	3.4
166.72653	0.9
170.99545	0.9
181.08646	1.3
199.09573	0.9
203.06567	0.8
231.04916	8.7
274.97531	1.8
285.09503	3.4
292.98489	3.3
297.05078	0.9
303.10724	1.8
340.72626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54003	0.8
53.03877	6.1
55.01797	6.4
55.05447	3.5
57.03370	12.0
60.69663	0.9
61.02845	7.1
67.38690	0.9
68.99693	4.5
69.03343	58.2
69.46614	0.9
71.04890	4.5
73.02811	4.2
73.06460	10.5
81.03330	28.0
81.89288	0.9
83.36987	1.0
85.02821	100.0
86.00372	0.9
87.00745	65.0
92.10242	1.1
97.02811	24.7
98.97484	2.1
99.04380	11.9
101.02307	1.0
101.05932	4.2
103.03780	1.4
105.01804	37.4
105.42915	0.9
109.02818	22.9
114.37391	1.1
116.98560	1.4
127.03868	47.6
129.01772	1.7
134.99615	1.3
145.04903	6.0
159.02823	5.2
171.69797	1.0
181.08577	1.4
189.03923	1.2
193.91031	1.0
199.09477	1.1
231.04965	10.5
243.44495	0.9
285.09784	1.5
292.98630	1.8
303.10620	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	339.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03862	0.4
55.05422	0.4
56.96491	2.2
59.25604	0.3
69.03328	0.6
71.04922	0.4
74.62118	0.3
81.03350	0.7
82.61946	0.4
85.02825	0.9
89.03864	0.9
91.05392	3.9
95.04881	0.7
97.02808	0.9
98.97504	7.0
103.05432	0.5
109.02800	0.4
116.98563	9.9
117.03320	5.0
119.04900	6.6
123.04367	5.4
130.06491	100.0
131.06856	0.7
134.99625	11.3
136.07553	19.9
145.02802	11.1
147.04416	3.1
149.05919	0.9
153.00694	2.9
165.05449	5.9
175.03854	0.6
177.05420	10.4
182.08092	6.6
202.53860	0.4
207.06517	0.6
208.96420	0.5
248.10774	0.6
250.97481	0.8
256.96451	0.5
274.97427	8.4
292.98502	10.3
293.12897	4.2
339.13419	1.9
339.17535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.3
53.40557	0.2
54.18977	0.2
54.78391	0.2
54.81936	0.2
56.96496	1.2
57.03363	0.3
60.06543	0.2
63.47219	0.2
65.03848	0.5
67.38708	0.2
68.31693	0.2
69.03342	0.6
71.04884	0.2
76.56570	0.3
79.05401	0.2
81.03331	2.0
84.07990	0.2
85.02824	1.1
86.19824	0.2
87.69155	0.2
89.03828	1.5
91.05407	12.3
93.06939	0.3
97.02824	1.7
98.97513	3.7
99.04407	0.3
100.11142	0.3
103.05398	0.3
105.06936	0.3
107.08504	0.3
109.02821	0.4
110.18005	0.2
116.98598	6.2
117.03329	6.5
119.04897	33.8
120.05246	0.4
130.06496	2.5
132.04373	0.3
134.03613	0.3
134.99620	5.4
135.04350	0.4
137.05956	0.5
145.02824	12.6
145.03970	0.5
146.04819	0.5
146.05997	21.8
147.04391	100.0
148.04739	1.9
149.05949	2.1
153.00693	1.4
158.05983	10.7
175.03976	0.4
175.08632	5.6
176.07043	1.0
177.05440	14.4
178.00769	0.2
186.59576	0.3
190.95580	0.3
193.09715	3.4
207.70699	0.3
250.97398	0.4
256.96368	0.5
262.86337	0.2
274.97418	3.3
292.98547	4.7
321.09018	0.4
321.12592	2.5
339.13525	1.0
348.12924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	81.7
56.75908	37.1
57.07022	39.6
59.37117	38.8
62.06003	53.6
67.05422	48.7
69.06982	100.0
70.99033	37.1
81.06965	85.5
89.19225	46.5
95.08527	91.5
107.08521	59.0
110.54424	42.5
125.96722	43.7
339.28967	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	12.0
57.03373	3.6
57.07007	24.3
57.81588	1.5
58.70656	1.5
63.53985	1.9
67.05424	12.8
69.06979	12.5
79.05403	4.0
80.77250	1.8
81.06961	11.5
83.08570	2.5
91.05389	6.6
93.06971	4.7
95.08530	8.3
98.97524	3.5
105.06976	26.5
107.08504	10.1
109.10093	2.4
116.98561	4.2
119.08532	36.2
121.06446	7.4
121.10094	57.4
123.07951	1.9
132.09337	2.5
133.10092	27.6
134.99620	2.3
136.63649	2.0
147.11658	42.8
160.08778	2.7
175.11163	16.5
240.58540	1.8
274.97513	2.7
283.16833	100.0
292.98474	4.1
323.22775	2.1
339.23154	19.9
339.28622	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	339.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87590	1.0
55.05460	5.2
56.11163	1.3
56.96500	8.3
57.03358	1.8
57.07009	2.5
62.25971	1.1
67.05429	2.4
69.06982	3.1
75.79151	1.1
79.51878	1.3
81.06971	2.6
94.65096	1.3
95.08537	2.0
98.97517	44.8
105.06931	1.6
116.98569	61.6
119.08541	1.9
121.10107	5.4
133.10138	1.8
134.99619	40.3
152.53342	1.4
153.00659	12.1
172.95226	2.3
205.81625	1.4
232.96504	3.2
250.97459	2.8
274.97397	31.9
283.16818	10.4
292.98492	48.9
293.98865	1.7
316.00119	1.7
339.25015	100.0
340.25418	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	339.2888
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.00241	2.5
53.61044	1.7
53.80870	1.9
55.05188	3.0
55.05450	84.6
55.27332	1.7
56.96493	5.1
57.03371	48.9
57.07004	37.8
62.06005	4.4
64.33612	2.3
67.05423	54.4
69.06983	96.6
71.08546	17.1
79.05413	22.1
81.06970	47.9
83.08530	53.4
85.06457	2.4
85.10086	4.4
87.91844	2.0
91.05386	4.3
92.20280	2.5
93.06969	30.4
95.08530	48.4
97.06457	10.0
97.10087	24.1
98.97503	35.1
99.10500	2.2
105.06979	2.8
107.08523	11.4
109.10075	14.5
111.08007	3.7
111.11623	3.5
116.98566	38.4
118.42556	2.1
121.10096	22.2
123.11616	2.5
134.99605	32.3
135.11639	10.8
149.13229	3.5
153.00685	4.3
154.94130	2.7
172.95261	14.7
190.96259	4.3
219.42923	2.2
265.25101	3.3
274.97406	22.6
275.81436	2.3
280.81042	2.0
292.98502	29.4
293.99130	2.5
301.01614	3.9
316.99472	2.3
339.28851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81715	0.6
55.05446	3.1
57.07010	3.9
58.06527	0.7
67.05434	5.9
69.06979	1.4
72.04430	5.6
76.07562	1.0
79.05410	0.6
81.06981	4.6
82.27875	0.5
87.02611	3.0
91.05397	4.0
92.10897	1.2
93.06979	2.6
95.08535	3.7
97.10037	0.6
105.06966	5.1
107.08540	1.4
108.05668	3.6
109.10102	1.4
119.08535	10.7
121.06455	40.0
121.10074	1.5
123.29902	0.6
131.08545	1.4
132.67159	0.6
133.06502	0.9
133.10103	10.7
135.08035	5.7
137.09598	10.4
143.08565	0.8
149.09596	100.0
149.13171	4.4
150.10013	0.9
159.11650	0.8
161.09579	41.5
164.11942	28.9
176.12099	2.1
177.12708	67.8
216.32793	0.6
227.10591	1.4
228.11327	2.4
269.15295	1.3
283.16861	2.7
284.14807	1.0
284.17667	19.1
295.20676	1.1
306.98709	0.7
325.21524	1.0
340.23566	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	340.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	2.2
55.05451	41.3
56.96497	3.6
57.07001	10.2
58.02897	30.3
59.07937	1.7
64.33459	2.0
65.72916	1.8
67.05413	3.7
67.96443	1.8
69.03355	3.0
69.06974	7.9
71.51176	2.1
72.08035	2.2
72.11494	1.8
73.11476	1.9
79.05423	8.1
81.03304	8.4
81.06968	8.7
83.04890	12.5
83.08545	27.0
84.04431	18.1
85.02833	4.1
89.05929	2.2
91.05404	11.9
92.05726	2.4
92.10252	2.8
93.06988	4.6
95.01184	2.2
96.08074	5.4
97.02811	4.5
97.10086	8.6
98.09633	13.3
98.97520	3.9
100.07546	12.5
100.11190	82.1
101.07075	2.5
105.06975	9.4
105.83249	2.2
107.08511	3.1
110.06077	2.2
111.04392	4.6
112.07568	9.0
114.09126	100.0
116.98550	12.5
117.03340	8.6
118.03682	7.6
119.04913	4.2
120.05262	4.9
125.09590	8.7
126.09071	2.4
130.04945	20.0
133.10098	9.0
134.99594	5.2
142.08623	46.5
143.10583	2.9
145.02861	13.9
146.03156	16.6
146.06021	5.1
147.04419	12.2
147.06403	4.3
147.07645	2.4
147.09193	4.0
148.04733	10.7
149.05951	2.5
150.09143	13.0
162.05409	2.5
163.08585	3.2
175.08606	2.7
176.06775	2.4
177.05435	12.0
177.12720	2.8
178.05800	19.5
178.08510	4.6
182.15359	53.0
199.18011	17.7
210.14864	11.1
274.97375	3.0
275.97870	2.6
309.21823	14.9
322.24902	8.9
340.25903	45.8
341.19293	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	340.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80293	5.9
55.05446	13.7
57.07011	9.2
67.05442	64.0
67.05739	8.6
69.06988	35.7
69.82333	6.4
72.04432	77.7
79.05418	17.6
81.06966	67.5
83.08546	12.5
87.02622	43.6
93.06952	32.7
95.08552	19.3
107.08519	11.8
115.53120	9.4
119.08575	7.8
126.70374	7.6
128.54071	8.6
137.80109	8.2
142.12271	7.7
142.13536	7.3
157.09630	7.8
166.04556	7.9
295.20987	17.3
306.27975	10.4
339.29712	37.7
340.26526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25807	1.6
52.71928	2.0
54.36224	1.6
55.05444	21.5
55.43304	1.7
56.04962	4.2
58.02903	16.5
58.06524	8.5
59.03851	1.7
67.05117	3.1
67.05428	41.3
69.06989	45.2
70.06509	100.0
75.69556	2.3
79.05406	10.2
80.04401	2.0
81.06970	45.1
82.06481	19.0
83.08531	3.6
84.04415	18.8
84.08060	3.5
84.43404	2.1
86.09627	3.2
87.65729	1.9
92.10216	3.9
93.06973	15.6
94.06469	3.6
95.08528	41.0
96.08075	2.7
102.18478	2.0
109.10105	9.9
110.69549	2.0
121.10142	3.2
123.08067	2.7
135.11656	3.7
152.14291	3.2
162.12762	9.0
168.17453	68.6
180.13780	19.4
198.14844	60.9
340.28403	47.9
341.28775	2.5
351.58569	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	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	2.3
55.05230	1.1
55.05457	18.5
57.03379	1.4
57.07003	5.7
58.28369	1.2
59.13592	1.1
62.06020	100.0
62.93002	1.0
64.33209	1.1
67.05430	28.1
69.06986	20.8
71.04881	1.2
71.08554	1.6
76.55390	0.9
79.05404	14.6
81.06985	26.0
81.57532	1.1
83.08526	5.1
91.05413	5.5
93.06970	10.2
95.04839	1.5
95.08541	12.5
97.06466	1.8
97.10124	2.5
98.00948	1.1
98.97505	2.5
105.06948	2.1
107.08543	9.6
109.10104	7.5
116.98579	4.7
119.08591	1.2
121.10095	4.2
121.80248	1.2
124.11169	5.4
133.10188	1.2
133.22083	1.1
134.99608	2.7
135.11649	4.6
136.93109	1.1
172.95221	6.1
179.10686	1.3
190.96233	4.5
196.13322	12.7
214.14340	8.5
269.48676	1.2
275.59167	1.3
279.23218	1.7
292.46426	1.3
292.79013	1.2
322.24200	1.5
322.27371	22.9
323.25629	2.2
340.28436	22.4
341.20612	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77431	3.0
53.63949	2.8
55.05450	18.1
56.96501	6.6
57.07016	9.1
57.59270	3.6
58.02895	5.4
60.75391	3.4
65.42402	3.2
67.05428	20.0
69.06988	21.3
70.15214	3.4
71.08548	38.0
79.05433	6.4
81.06976	24.3
83.08520	5.7
91.05438	5.6
91.51118	3.5
93.06973	23.3
95.08534	24.1
97.10116	5.1
98.97533	7.2
99.08033	20.1
104.10724	5.1
105.06982	7.4
107.08532	8.3
109.06485	16.8
109.10103	15.5
111.08039	4.0
116.98572	19.9
119.08533	4.5
121.10061	4.5
134.99654	25.5
165.12744	21.2
172.95186	5.2
193.15788	4.0
224.20020	5.2
275.97742	6.3
284.17004	14.3
291.23358	30.4
292.98639	8.2
293.98904	8.3
322.27313	100.0
340.25278	18.4
345.75479	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	340.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27252	0.8
53.83878	0.8
54.73038	0.9
55.01808	1.9
55.05450	18.9
57.03360	1.5
57.07007	5.3
58.84201	0.9
58.94892	1.0
62.06017	100.0
65.30714	0.9
67.05429	26.3
69.06989	17.4
71.08535	1.5
77.67269	0.9
79.05410	17.9
81.06974	22.6
83.04868	1.8
83.08536	8.4
83.12186	1.0
89.61900	1.0
91.05401	2.6
93.06977	10.9
95.04833	1.8
95.08528	18.8
97.06455	2.4
97.10105	2.3
97.34654	1.0
98.06014	2.3
98.97524	1.9
99.04393	1.5
99.70417	1.1
105.06998	2.3
107.08538	11.7
109.06438	1.2
109.10119	9.9
111.08057	1.7
116.98549	1.6
119.08545	1.6
121.10091	1.3
123.11608	1.2
124.11193	5.4
135.11673	5.2
144.73851	1.1
146.39095	1.1
163.14732	1.3
170.11696	1.8
172.95200	6.6
190.96252	2.1
196.13289	13.2
206.72864	1.3
214.14336	9.0
219.47874	1.2
279.23111	1.4
299.06195	1.9
301.33261	1.2
322.23801	1.4
322.27377	27.5
323.25620	2.3
340.28381	19.0
341.20654	1.4
341.28958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16714	0.7
55.05439	1.6
57.07013	18.1
59.16083	0.8
69.06982	2.1
71.08531	5.6
74.05972	4.7
76.55878	0.9
83.08514	3.7
88.07550	16.2
95.08498	1.1
97.10152	1.0
102.09116	8.7
108.94613	1.0
116.10695	1.4
137.32402	1.1
148.79024	1.0
250.40306	0.8
284.29407	44.8
304.05182	0.9
340.35666	100.0
341.35883	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39814	0.6
50.56389	0.6
51.88520	0.7
54.57206	0.8
55.05409	0.9
57.07010	11.5
66.96214	0.7
71.08547	3.7
72.04441	1.1
72.08060	0.8
74.09629	46.2
96.68555	0.9
100.07549	1.7
106.93269	0.7
130.12233	1.2
131.44583	0.9
133.82985	0.7
144.13800	1.1
316.42722	1.0
340.35666	100.0
341.36093	3.3
357.74155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.3571
Annotation	Docosanamide
Peak:m/z	Relative Intensity
57.06995	4.9
68.88922	1.5
71.08546	2.2
72.04420	4.8
78.86310	1.8
89.21107	1.9
102.09116	3.7
116.10684	4.6
128.95340	2.0
154.17412	1.9
169.27199	2.0
196.85559	1.9
240.34790	1.8
281.64621	1.9
300.79312	2.0
340.35660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	2.9
53.88641	0.5
55.01802	2.6
56.96490	0.8
57.03367	4.4
61.02848	0.8
69.03350	20.2
71.01262	1.2
71.04919	5.3
73.02845	0.8
79.05413	1.2
81.03340	19.9
81.67767	0.7
85.02805	0.9
89.98501	0.6
92.10326	0.8
98.97506	2.3
99.04385	6.3
106.06499	6.2
116.98550	2.7
117.05453	0.6
117.09050	1.1
133.07585	12.2
134.99612	2.6
161.07033	5.2
163.08627	8.1
173.07063	0.7
177.06477	0.7
189.06569	22.5
191.08121	8.3
207.07629	100.0
208.07964	2.4
277.00677	0.8
305.11322	2.4
323.12305	27.6
324.13107	0.6
341.13406	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	341.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05435	2.4
57.07000	1.5
65.97728	1.7
67.05446	2.1
69.06967	3.2
69.93344	1.8
78.75703	1.3
81.06975	2.4
91.96570	1.7
101.74410	1.6
111.46419	1.7
131.01036	1.7
140.52742	1.8
341.20590	100.0
341.26703	3.3
341.52036	2.1
342.20978	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	341.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64939	1.5
53.09790	1.6
55.05446	3.9
55.51113	1.8
57.07001	2.5
59.76550	1.7
59.79310	1.4
59.87783	1.6
62.06014	2.7
62.98172	8.8
67.05441	3.5
69.06979	2.5
81.06963	3.6
83.84180	1.8
89.07447	1.7
91.62252	1.6
93.06934	2.1
95.08574	2.5
101.36359	1.7
121.10092	1.9
172.32700	2.1
198.84808	2.0
295.50708	1.9
323.19482	12.3
340.28949	3.2
341.20563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	1.3
53.13169	1.0
54.82041	1.4
55.05453	10.9
55.05677	1.2
56.04969	2.6
56.96467	2.2
57.06993	2.2
58.02860	1.2
67.05421	7.1
68.14386	1.3
69.03323	1.9
69.06975	7.5
71.04880	1.5
76.56922	1.7
79.05405	16.5
81.06976	10.9
83.04902	15.6
83.06014	22.1
83.08510	3.5
84.04424	98.5
85.02817	6.1
85.06448	2.7
91.05421	17.3
91.05912	2.1
93.06973	27.8
95.04890	2.5
95.08524	3.0
95.32530	1.5
98.97496	3.5
100.11156	8.9
101.07070	10.6
102.05478	2.5
103.05432	1.3
105.06950	8.8
107.04868	10.5
107.08543	17.8
109.06439	2.0
114.09107	6.4
116.98579	2.4
117.06986	8.0
119.08511	2.4
121.06404	2.4
121.10081	2.7
123.08044	1.9
129.06523	23.3
130.04962	100.0
131.08528	7.0
133.10086	16.5
134.99603	6.6
135.11613	11.9
137.05847	1.6
145.02757	3.3
147.04385	3.3
147.07623	32.8
149.05896	2.0
149.13217	7.9
151.03885	1.8
151.11082	1.6
159.11713	5.2
177.05418	2.9
177.12714	20.8
182.15349	2.1
277.00717	1.6
315.75708	1.6
323.19504	10.4
341.15378	5.1
341.19492	12.0
352.22342	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98537	0.6
55.05453	0.8
60.04450	2.8
65.84705	0.6
67.05419	0.8
69.06970	3.0
83.08527	0.7
114.86113	0.8
149.62047	0.8
341.26508	100.0
342.26947	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	341.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	3.0
57.06822	1.5
57.07012	24.7
58.06522	3.8
63.72648	2.0
67.05435	3.6
69.06989	4.5
71.08544	24.1
72.04410	2.0
72.08044	1.7
79.05411	2.9
81.06973	13.6
83.08551	3.1
85.10104	11.0
86.05972	4.0
95.08537	19.0
103.08642	100.0
107.08542	2.4
109.10110	3.9
112.50568	2.0
123.11707	2.5
145.19543	2.2
168.83044	2.1
229.16245	2.1
239.23599	8.6
296.25787	10.3
341.27264	3.6
342.37338	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	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.9
54.55592	0.6
55.01803	0.8
55.05436	4.9
57.03377	6.0
57.07000	0.8
59.04918	1.0
61.02840	5.0
69.03349	10.7
70.06503	7.3
71.04895	4.0
71.08542	7.4
72.08080	0.8
73.02828	1.3
73.06465	62.2
79.05425	0.9
81.03331	3.3
81.06964	8.3
85.02823	33.5
85.06454	1.2
86.06764	0.8
86.09621	1.0
91.03863	1.3
91.05405	1.4
97.02820	9.0
98.97495	3.2
99.04359	0.8
99.08015	9.9
101.05933	3.7
103.03862	0.8
109.02805	3.7
109.06440	3.8
110.07079	1.1
116.98551	3.0
117.09072	100.0
118.09283	0.9
119.04896	1.4
127.03848	3.4
127.07486	6.2
130.06534	0.9
134.05942	1.4
134.99651	2.9
138.32628	0.7
145.02791	1.3
145.04942	4.4
147.04414	6.8
152.07018	1.8
162.05458	3.6
163.03847	1.6
163.05865	0.8
163.09622	12.3
181.04974	1.8
186.35168	0.8
239.77713	0.8
268.30231	0.7
296.83163	0.7
341.34534	1.1
342.23730	3.0
343.08716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	1.3
55.01803	1.4
55.05457	0.7
57.03370	12.4
59.04929	0.6
61.02856	4.0
62.67214	0.6
69.03353	6.0
71.04895	3.5
71.08549	4.5
73.02826	1.1
81.03348	1.5
81.06975	8.3
81.54951	0.6
85.02342	1.2
85.02828	24.7
88.15134	0.7
92.10859	0.8
97.02835	6.4
99.04395	1.0
99.08028	21.8
102.59094	0.7
105.58415	0.6
109.02840	1.3
109.06453	5.7
109.87365	0.6
116.98521	0.9
117.09080	100.0
118.09428	1.2
127.03896	3.4
127.07513	6.7
147.04329	0.8
163.09633	11.9
206.17542	0.7
215.30307	0.6
255.08682	0.6
300.17499	0.8
326.04950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39441	4.5
51.28289	5.0
55.05444	9.9
56.96498	7.9
57.03363	26.2
60.14180	4.2
67.05430	22.7
69.03387	6.2
69.06993	22.8
71.04906	7.4
71.95181	4.7
73.39841	4.3
73.65909	4.6
79.05394	20.1
81.03337	63.2
81.06966	20.3
83.04895	5.9
85.02831	12.5
86.16790	4.6
91.05418	20.1
93.06976	28.3
95.04887	32.8
95.08522	26.3
95.96561	5.5
97.02842	5.2
98.81801	5.3
98.97511	26.5
104.12206	4.8
105.06975	8.2
107.04900	100.0
107.08543	7.3
109.06483	5.4
116.98545	56.7
119.08549	12.7
120.97881	7.1
121.06483	32.2
121.10089	9.7
123.08044	9.0
127.03867	6.8
131.08501	7.9
133.10081	9.6
134.99631	51.1
138.98877	7.8
143.08591	5.6
147.11667	8.3
149.05905	7.8
153.00670	21.8
163.11099	6.5
165.09059	25.9
202.14009	6.0
217.12177	5.9
233.15349	8.2
235.13235	33.8
277.00946	11.2
278.96790	12.1
280.92758	5.1
289.17877	33.8
296.97766	27.0
301.14264	7.0
307.18851	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
55.05456	1.2
57.07012	10.2
59.45257	0.5
67.05424	1.3
67.41423	0.6
69.03357	5.2
71.08557	4.8
81.06963	1.1
85.10097	1.2
86.05988	100.0
87.02692	0.6
87.04389	19.1
95.08543	3.2
102.66447	0.6
104.07030	11.6
150.56285	0.8
342.29877	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42339	0.8
57.07015	16.0
58.06531	1.3
62.06014	4.2
65.81757	0.7
69.03342	1.8
69.06985	0.9
69.35426	0.9
71.08549	7.2
77.57969	0.9
85.02805	1.5
86.01567	0.7
90.15402	0.9
91.05403	1.7
112.81405	0.9
114.10899	0.9
128.25307	0.9
145.04938	1.2
146.80154	0.9
156.17456	1.9
173.53952	0.8
174.18504	7.0
212.23744	1.3
230.24860	6.2
324.36148	1.7
342.37244	100.0
343.37711	2.0
359.96811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.9
53.56310	1.2
55.01807	13.7
55.36252	1.2
56.37281	1.0
57.03371	18.4
59.04935	1.2
61.02609	0.9
61.02847	10.8
62.05998	1.1
62.84015	1.1
69.03345	44.4
70.06503	7.6
71.04899	5.6
72.08063	2.6
73.02833	9.1
73.77341	1.3
81.03327	7.0
84.04426	1.9
84.08079	1.3
85.02821	100.0
87.85056	1.2
90.05466	1.6
91.03849	2.8
97.02812	32.0
99.04378	8.2
99.08044	5.1
101.02287	10.0
108.01363	1.2
109.02815	8.4
115.03843	1.5
116.07040	2.6
117.09051	18.9
118.08627	1.5
118.09416	6.4
127.03869	53.4
145.04916	17.3
149.04347	1.4
163.05960	2.8
163.09685	1.1
172.22852	1.4
260.31348	1.3
294.34158	1.2
316.54794	1.2
341.38043	1.4
344.09006	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55085	0.5
53.03883	0.7
54.81680	0.6
55.01806	4.2
55.05453	4.9
57.03368	4.1
61.02846	3.3
62.60268	0.5
67.05433	4.8
69.03355	5.2
69.06984	3.7
70.06503	1.3
71.01257	1.2
71.04897	1.2
72.08058	0.9
73.02835	14.4
79.05407	14.1
80.23647	0.6
81.03334	1.2
81.06968	7.4
83.04901	4.9
85.02830	3.6
86.09640	0.9
89.03878	0.8
91.05406	38.5
92.10194	1.0
92.67741	0.6
93.06964	10.3
95.04894	8.7
95.08517	1.4
97.02828	2.7
97.06480	1.1
98.97523	0.8
99.04376	0.8
105.06975	44.6
107.04887	1.4
107.08543	2.4
109.02778	0.6
109.06477	4.8
115.03893	1.4
116.98555	1.0
117.03399	0.9
117.06966	2.4
119.04887	0.8
119.08535	10.1
121.06438	2.7
123.08029	1.1
125.05952	7.4
128.06148	0.7
129.06961	3.0
131.08531	15.9
133.10094	100.0
134.10439	1.1
135.08012	1.3
137.05966	2.3
139.00128	0.6
141.07007	1.3
143.08546	3.7
145.06413	0.7
145.10095	5.9
147.07982	2.6
147.11668	6.8
151.07449	0.7
151.11177	3.8
155.07040	1.1
155.08568	1.2
157.10098	3.0
159.07977	0.8
159.11629	2.7
165.09065	4.1
169.10164	2.5
175.11165	5.5
177.05421	1.2
181.10045	0.7
183.11667	1.4
187.11137	1.0
191.10693	1.3
193.12181	15.6
203.10672	0.8
211.11145	1.2
211.13222	1.4
217.12086	0.6
229.12242	1.1
285.50101	0.6
289.14197	0.8
296.72427	0.6
307.15421	1.1
325.16379	1.1
339.05780	0.6
341.96463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2215
Annotation	E-64d
Peak:m/z	Relative Intensity
55.05449	3.9
57.07014	1.1
60.04456	1.8
67.05401	1.8
69.06995	1.5
70.07306	0.8
73.05553	0.9
76.98430	0.9
81.06989	4.1
82.07298	1.2
83.08540	1.7
84.08897	1.0
85.10461	0.9
91.05402	1.2
95.08534	3.8
96.08865	1.2
103.29756	1.0
103.39769	1.0
109.10074	1.3
119.08552	1.2
143.35014	0.9
235.49677	1.0
262.02985	1.0
342.28943	4.1
343.22128	100.0
343.28931	3.2
344.22607	3.9
358.80975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2216
Annotation	E-64d
Peak:m/z	Relative Intensity
55.05440	1.2
56.33797	0.8
60.04453	1.3
67.05411	1.4
69.06999	1.6
81.06965	2.3
83.08528	1.3
83.17807	0.9
92.10909	1.4
95.08522	1.2
174.37259	1.1
342.29016	4.9
343.22141	100.0
344.22305	1.7
368.01813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.4
55.01815	1.3
56.04958	0.5
57.03366	3.1
60.04457	1.0
61.02852	5.6
68.95279	0.5
69.03350	12.4
70.06510	4.0
71.04905	1.2
73.02821	0.9
73.68022	0.5
73.94122	0.5
81.03330	5.0
85.02341	1.3
85.02829	27.2
87.04412	1.1
91.03886	1.0
91.05405	15.4
97.02818	9.4
99.04369	0.7
103.05389	1.0
109.02838	1.5
119.04900	60.4
120.05230	1.2
121.06467	1.0
122.59200	0.6
123.04385	5.0
127.03869	4.4
136.07558	100.0
137.07939	0.9
138.05211	0.7
142.41261	0.7
145.04965	2.4
147.04402	4.4
153.65367	0.7
164.07039	2.8
165.05449	8.2
178.08667	1.1
182.08099	55.9
213.02634	0.8
224.09059	1.1
326.12299	0.8
344.13409	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	344.137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11221	0.6
55.01800	0.7
56.96494	0.8
57.03355	1.5
58.78805	0.7
61.01077	100.0
61.02845	3.2
63.74755	0.6
65.73775	0.7
69.03339	6.3
70.06503	4.0
71.04902	27.0
71.36797	0.6
72.08084	1.1
73.02815	0.8
80.63470	0.6
81.03333	3.5
83.48591	0.6
84.08058	4.8
85.02823	17.5
89.04158	3.6
97.02822	4.8
97.72903	0.7
99.04383	18.7
100.11182	3.6
101.04150	1.6
102.05520	0.7
105.35931	0.6
109.02782	0.8
109.44801	0.6
116.98548	1.1
117.05431	36.5
119.05227	77.4
127.03820	1.4
134.99634	0.7
146.05991	1.2
147.04724	8.5
153.45206	0.7
162.05432	0.9
165.05760	41.7
179.36618	0.7
227.17468	1.2
235.57274	0.7
240.07169	1.0
275.80826	0.9
302.14584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.149
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
53.17426	1.0
54.97902	1.0
55.05407	1.5
63.27509	1.2
69.06991	1.4
70.88791	1.2
79.05423	1.9
81.06974	1.1
89.03837	13.0
91.05403	20.4
95.04849	2.0
117.03327	41.6
119.04891	9.6
134.03583	2.3
135.04384	4.9
145.02824	94.8
149.05931	15.3
151.07553	11.6
156.12148	1.3
163.03886	1.3
177.05428	100.0
181.04883	1.4
209.06741	1.5
304.82483	2.0
344.14813	3.0
368.13724	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	2.5
53.03883	5.2
54.81631	2.3
55.01801	5.2
55.05453	60.5
56.96497	27.3
57.03370	35.7
57.07024	2.6
59.04947	3.5
60.91305	2.1
65.03871	3.8
67.05430	100.0
67.25086	2.3
69.03343	9.0
69.06993	57.1
71.04907	15.6
71.08560	2.2
72.95987	2.1
73.06440	2.6
73.70395	2.3
79.05407	80.2
81.03329	29.6
81.06976	67.7
83.04903	71.5
83.08560	18.9
85.06475	3.1
88.73392	2.6
91.05403	52.5
92.10331	3.4
93.06971	55.9
95.04893	31.6
95.08526	39.9
97.06454	14.5
97.10097	22.1
103.05329	3.3
103.94176	2.2
104.99207	2.4
105.06970	25.9
107.04900	13.7
107.08528	33.8
109.06471	47.7
109.10114	48.5
111.04390	3.7
111.08038	5.8
113.05948	3.1
117.06962	12.3
119.08534	27.5
120.06280	2.5
121.06451	3.2
121.10086	15.5
123.08025	16.6
125.09621	11.0
129.06931	4.9
131.08536	15.8
133.10123	6.1
135.08018	3.9
135.11667	4.1
137.09622	14.7
143.08540	5.7
145.10120	5.0
147.08023	4.9
147.11696	3.3
149.13266	4.5
150.04362	2.8
157.10017	8.2
159.11646	4.5
164.37595	2.3
165.12686	2.8
173.00058	2.6
173.11771	20.1
173.13091	3.5
189.11220	3.7
209.11681	2.5
213.12746	3.5
221.15372	3.4
223.13251	3.9
254.14227	18.5
270.17432	3.4
272.15378	25.4
272.18973	9.9
273.18402	11.6
282.17331	3.9
286.16730	2.9
286.82394	2.8
291.19446	22.7
300.18457	4.6
302.19934	23.1
344.20895	20.5
369.21750	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	8.2
55.01818	16.4
55.05455	63.4
57.03379	38.0
59.04928	3.6
63.81219	3.5
65.03816	4.3
67.05430	100.0
69.06987	47.6
71.04917	20.6
79.05411	93.7
81.03347	31.8
81.06976	63.6
83.04919	8.3
83.08537	29.7
85.02879	4.1
86.06020	4.0
91.05401	71.3
93.06979	63.4
95.04897	58.2
95.08557	43.6
97.02786	4.6
97.06456	19.6
97.10105	24.9
105.06970	37.2
107.04902	23.4
107.08527	44.9
109.06482	23.3
109.10122	32.9
109.12309	4.0
111.04398	4.7
111.08037	10.2
117.06974	21.8
119.08543	45.9
121.06490	8.8
121.10079	17.6
123.08007	8.6
125.09497	5.7
129.06964	15.3
131.08540	27.4
132.38397	4.2
133.06427	5.2
133.10095	9.5
135.08046	9.3
137.09639	7.6
143.08553	7.9
145.10141	18.7
147.08063	5.9
147.11674	6.0
153.09099	4.7
157.10168	4.7
161.09622	9.6
163.11040	5.1
171.11522	4.3
173.11775	5.5
179.10660	5.5
219.13594	6.1
273.18445	37.7
291.19464	55.7
309.20450	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	2.6
55.05449	13.4
57.07011	2.3
57.23804	1.6
63.85081	1.6
67.05423	10.6
69.06984	9.5
70.72544	1.6
71.08556	19.0
79.05401	8.8
80.43121	1.4
81.03345	3.9
81.06991	12.8
83.08521	3.8
91.05418	2.5
93.06971	8.6
95.04903	2.3
95.07238	1.6
95.08524	8.8
97.10101	8.1
99.08020	9.5
101.06029	1.5
105.06954	3.5
107.08511	7.9
109.10109	3.1
119.08514	1.7
123.04384	8.0
155.03830	1.8
165.09055	16.6
167.98018	2.0
189.11313	2.7
193.12210	100.0
194.12532	2.0
205.06969	1.8
241.09042	2.6
245.18797	1.7
291.19513	26.7
295.22659	2.3
309.20425	3.4
353.21558	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	344.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	5.5
55.05451	50.9
56.96517	2.5
57.03376	5.0
57.07012	19.4
59.89054	2.6
60.04460	6.6
62.25430	2.9
67.05428	91.1
68.25490	3.0
69.03338	4.6
69.06996	61.3
71.04905	6.1
71.08539	20.9
71.08900	2.8
73.06460	2.8
75.56299	2.6
79.05408	73.6
81.03335	19.3
81.06974	86.3
83.04896	19.4
83.08542	17.1
84.95934	2.8
85.06467	5.7
85.10104	13.6
91.05412	43.4
93.06973	96.0
95.04890	17.2
95.08535	100.0
97.06448	14.2
97.10106	15.7
99.08018	12.2
105.06974	34.5
107.08552	35.6
109.06469	4.0
109.10091	19.4
113.09601	5.2
114.81298	3.2
117.06919	3.3
119.08563	22.1
121.10094	52.5
123.08047	6.0
125.09557	5.1
131.08559	19.2
133.10132	18.8
135.11639	12.2
137.09619	5.1
139.11145	15.4
145.10080	5.3
147.11682	14.8
149.09619	17.2
149.13264	4.4
151.11067	4.9
157.10117	5.3
161.13248	6.1
163.11266	3.4
165.12732	7.7
193.12265	7.8
241.19553	3.5
277.21622	34.1
295.22656	3.9
309.24249	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	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	8.0
54.48055	3.0
55.01817	6.9
55.05455	43.8
57.03371	4.2
57.07006	8.3
67.05427	92.9
69.03361	3.6
69.06994	47.6
71.04898	5.2
71.08549	15.7
73.06461	3.3
79.05399	53.4
80.06789	3.3
81.03336	45.2
81.06981	58.0
83.04896	17.9
83.08544	5.5
85.06464	3.6
91.05418	23.2
93.06969	82.5
95.04915	37.5
95.08526	50.2
97.06463	15.3
97.10105	8.0
98.90797	3.1
99.08019	4.8
104.99313	3.8
105.06992	18.4
107.08561	26.7
109.10101	37.3
119.08543	21.2
121.10090	28.6
123.11707	4.0
131.08553	4.8
133.10095	8.2
135.11638	7.6
137.09602	30.2
139.11266	4.1
140.92314	3.3
147.11639	11.4
151.11163	22.6
161.62700	3.1
169.80820	3.2
191.14230	3.6
194.46541	3.3
221.36203	3.7
229.12921	4.1
241.06999	3.8
259.20505	3.8
271.27948	3.9
277.21582	100.0
295.22632	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2794
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
53.00251	0.6
55.05450	5.0
57.07011	23.5
60.04458	100.0
67.05434	7.5
69.06990	3.6
70.02859	0.8
71.00455	0.4
71.08547	11.6
76.46201	0.6
78.25559	0.6
79.05407	0.5
79.79297	0.5
81.06973	5.2
83.08548	3.5
85.10114	5.5
88.03915	26.2
88.04437	1.0
89.05991	0.5
93.06950	0.6
93.66140	0.5
95.08530	10.8
95.09087	0.7
97.10103	1.7
104.99230	4.7
106.04972	97.2
109.10109	3.2
110.47578	0.5
123.11662	0.9
179.25507	0.6
239.23662	1.0
262.98111	2.1
280.26288	0.6
326.26886	1.9
344.22397	0.5
344.27777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37321	0.5
55.05449	0.7
56.17346	0.5
56.17667	0.5
57.07001	0.9
65.03855	2.5
67.05415	0.6
69.07005	0.8
70.06519	1.0
88.07549	1.1
89.05976	0.8
91.05408	100.0
96.32777	0.6
97.10120	0.8
97.10771	0.6
106.41222	0.6
108.08078	1.6
108.51927	0.6
117.05647	0.7
166.13612	0.7
343.37448	0.7
344.29245	12.2
344.35120	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0968
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05433	0.5
57.06981	0.5
65.08890	0.5
71.08520	0.5
72.28187	0.5
104.99187	2.9
120.23078	0.5
122.03593	0.5
140.53395	0.6
150.14583	0.5
167.03351	2.9
168.04106	0.8
192.04114	1.0
213.05328	0.6
219.13496	0.5
227.07024	2.1
241.04796	0.7
241.23518	2.6
242.59630	0.6
255.06477	1.0
256.07330	8.4
258.05164	0.8
271.05936	0.6
272.06729	12.8
283.06064	0.9
284.06757	22.3
286.04715	2.3
287.05499	6.9
299.05283	2.5
300.06195	5.1
301.07019	13.6
301.42929	0.5
302.07584	0.9
313.07025	1.9
313.10443	0.9
314.04065	1.0
315.04874	4.7
316.05643	7.2
327.04846	4.5
329.06503	100.0
330.07178	10.5
344.21121	0.7
345.06418	3.7
345.09637	95.4
346.09924	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	345.0968
Annotation	3',4',5'-O-Trimethyltricetin
Peak:m/z	Relative Intensity
51.06161	1.4
55.05449	2.5
56.96494	3.0
57.07024	1.5
67.05424	7.9
69.06970	3.1
79.05397	4.0
81.06974	8.8
86.09628	2.3
87.82410	1.8
91.05414	3.2
93.06981	6.9
95.08547	2.8
104.99209	11.8
105.06950	2.1
106.19023	1.8
107.08508	2.7
115.73243	1.8
116.98595	1.6
131.04886	7.7
134.99591	2.2
137.89171	1.6
147.04332	3.0
153.01846	2.5
154.15392	1.7
163.07581	1.8
185.54329	1.7
190.95352	1.9
234.84993	1.6
242.05736	1.9
253.04950	3.8
253.08508	2.7
255.06456	58.8
255.08951	2.7
256.07178	16.6
257.03284	10.2
262.98282	2.9
267.09921	2.5
283.05991	8.6
284.06766	19.2
286.04785	2.3
287.05499	9.7
295.09470	2.4
299.05460	47.5
299.08850	3.9
301.03552	4.0
301.07047	12.8
311.05484	10.6
312.06421	2.8
313.03531	2.9
313.10648	12.2
315.04929	39.6
329.06522	25.2
330.07004	2.5
345.09628	100.0
345.13300	5.6
346.09967	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37927	1.3
54.52182	1.2
56.04964	2.0
56.58558	1.5
56.96481	1.2
61.01093	1.7
61.48380	1.1
65.51688	1.3
70.06523	3.1
71.04896	7.8
83.06026	2.5
85.02811	6.6
86.03487	2.0
88.36903	1.5
95.05997	2.1
98.97494	2.3
104.99206	8.4
111.05491	9.6
115.16196	1.5
116.98631	2.8
118.24223	1.7
120.04433	3.8
121.70203	1.6
125.05886	1.6
126.06613	6.3
130.06467	1.9
131.03343	1.5
132.04425	39.0
134.05966	9.7
135.39964	1.6
135.41197	1.6
137.04622	2.6
137.36372	1.6
147.04356	2.7
150.05482	6.9
151.06131	23.8
190.95395	7.2
194.06665	10.0
202.09804	1.8
203.08131	2.3
208.96371	6.9
217.70280	1.6
230.09036	1.5
231.07614	3.5
232.10855	3.7
232.96350	6.7
242.09177	8.5
246.48822	1.6
247.84746	1.8
250.97426	2.8
257.10260	9.4
259.11780	19.9
263.61865	1.7
284.11221	6.8
302.12424	35.2
327.12161	2.5
345.12946	100.0
364.06189	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	345.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42588	1.7
55.01809	12.0
55.05446	10.9
56.81303	1.7
57.03377	21.5
57.07007	11.2
59.04913	3.2
60.23710	1.8
60.84561	1.7
61.02860	10.3
67.05426	19.3
69.03355	19.0
69.06976	12.8
70.05294	1.9
71.01272	2.7
73.02839	17.0
79.05407	78.6
81.03342	3.3
81.06983	31.7
83.04892	20.9
84.12868	2.0
85.02827	12.8
87.04401	2.3
91.05402	29.1
93.06973	73.9
94.07288	1.9
95.04893	13.1
95.08548	13.1
97.02813	9.9
97.06458	13.3
98.61014	2.0
103.03883	2.1
105.06997	17.9
107.04896	11.7
107.08539	32.4
108.74131	2.0
109.06466	12.7
109.10157	2.6
111.08011	3.3
115.03899	3.6
115.07531	2.4
117.03314	3.7
117.06969	10.6
118.03664	2.1
119.08524	16.0
121.06467	3.7
121.10075	7.9
123.08036	4.9
124.93819	2.1
125.05953	25.2
129.06952	4.4
131.08531	15.3
133.06447	2.1
133.10069	22.8
135.08018	4.5
135.11659	100.0
139.06523	2.0
139.07491	15.1
140.93602	2.1
143.08553	9.3
145.02843	9.9
145.10130	18.5
146.03149	10.3
147.07980	2.9
147.11642	10.3
149.05957	3.7
149.13252	8.6
153.12753	4.8
155.08527	2.3
157.10110	3.6
159.11671	13.5
171.11630	2.9
173.13239	3.5
177.05455	13.6
177.12733	14.0
178.05765	4.9
183.11655	2.7
187.14490	2.6
195.11913	3.4
195.13737	33.6
199.61179	2.6
205.12106	2.4
213.49802	2.2
231.13797	3.4
232.70529	2.4
280.85141	2.0
291.15952	3.0
291.19250	3.7
309.16965	4.0
328.96765	2.2
355.43680	2.3
364.29099	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11768	3.0
50.58597	2.8
53.03890	3.5
54.27740	2.6
55.01810	4.0
55.05448	47.5
57.03366	80.4
57.03630	4.2
60.88099	3.2
61.60367	3.3
64.33638	3.4
64.57416	3.1
67.05420	100.0
69.03362	4.1
69.06979	19.1
71.04909	21.8
79.05411	54.9
81.03327	23.0
81.06971	56.6
83.04890	73.2
83.08540	18.6
85.06467	6.6
91.05393	27.7
93.06966	35.5
95.04875	27.9
95.08535	51.5
97.06467	14.6
97.10135	8.2
99.08013	3.8
105.06969	19.2
107.04905	8.1
107.08499	25.3
109.06454	15.2
109.10098	59.9
111.08031	7.2
115.07517	3.7
115.42216	3.9
117.06949	6.4
119.08537	21.2
121.10040	7.5
123.07996	19.5
125.09544	5.2
131.08524	5.1
133.10112	5.4
133.79802	3.4
135.07999	7.5
137.09618	8.6
141.09047	4.3
145.10085	7.8
149.09570	5.7
155.10634	22.8
159.11606	5.0
161.09546	4.1
165.09061	3.8
173.11676	18.1
173.13040	4.0
175.22951	3.5
189.11206	3.8
208.96449	5.1
221.15344	17.9
273.18427	6.2
291.19415	24.7
309.20386	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	345.2375
Annotation	Methyl alpha-Linolenyl Fluorophosphonate
Peak:m/z	Relative Intensity
59.67459	1.9
62.98158	8.3
66.50311	1.6
69.68642	1.7
70.91566	1.8
74.32979	1.6
80.22492	1.7
86.92616	1.8
92.85403	2.2
129.89386	1.9
149.87778	1.9
345.23660	100.0
357.55438	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	345.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	2.0
54.81355	2.2
55.05447	13.5
57.03358	2.7
60.15644	1.8
67.05428	31.5
69.06973	5.6
71.04909	100.0
77.93158	2.0
79.05397	18.7
80.15950	1.9
81.03342	3.3
81.06969	49.6
83.08540	5.7
91.05402	14.0
93.06975	28.4
95.08528	28.7
97.06458	5.1
97.10111	4.1
99.07990	2.4
104.99222	26.2
105.06963	13.2
107.04871	4.7
107.08565	20.3
109.10100	11.1
117.06959	10.8
119.08479	8.8
121.10091	12.9
125.09527	3.0
131.04913	4.0
131.08533	11.3
133.10114	4.1
135.11649	5.1
145.10059	4.3
159.11679	5.5
173.11774	3.8
177.12694	4.2
187.14819	3.2
190.44217	2.5
190.95480	3.4
209.15396	3.4
221.81314	2.4
227.16452	17.3
262.98099	12.9
285.18381	10.7
313.10522	10.0
345.13068	3.4
345.20166	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	345.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.7
53.34145	0.7
55.01793	1.4
55.05448	18.3
57.03370	7.8
57.07013	3.0
59.04936	6.5
60.09296	0.8
62.80884	0.6
63.90756	0.6
65.41795	0.7
67.05428	100.0
68.05762	1.2
69.06975	6.4
71.04891	5.0
71.08542	1.0
79.05402	5.5
81.06976	24.6
83.04921	1.1
83.08537	11.1
85.06467	1.9
91.05395	7.6
92.10338	1.1
93.06960	8.7
95.04886	1.4
95.08547	9.9
97.10117	3.2
104.89391	0.8
104.99199	4.8
105.06935	1.7
106.53954	0.8
107.08527	5.5
109.10104	90.7
111.08033	1.3
114.09063	1.0
119.08537	8.0
121.10045	1.8
123.08012	1.2
125.09604	1.2
128.89204	0.7
133.10107	0.9
137.09583	5.3
155.10654	10.2
173.11699	73.5
189.03075	1.0
203.99063	0.8
262.98172	1.9
273.64929	0.8
277.21506	3.4
313.10669	1.7
345.31747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39196	4.6
56.04950	5.4
58.06544	4.9
62.06021	9.2
70.06505	10.6
72.08057	76.2
87.12237	5.6
91.02026	5.2
104.10677	5.6
109.27758	5.3
110.07070	5.2
119.08559	8.9
148.03975	7.2
166.04979	10.4
198.14882	12.0
229.70427	5.5
258.16953	56.2
328.08008	5.4
346.04697	100.0
346.26923	31.1
352.34406	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	346.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09715	0.3
54.81663	0.3
55.05441	1.7
55.28306	0.4
56.04969	0.5
56.26498	0.3
56.96502	0.4
57.03368	0.8
61.02843	1.4
69.03349	4.2
70.06496	2.1
72.08050	1.6
73.02824	0.8
73.06456	0.9
81.03334	1.8
84.04411	0.9
84.08070	0.5
85.02833	4.6
86.09640	1.6
92.04912	0.6
97.02832	3.3
98.97513	0.4
99.07433	0.4
109.02829	0.8
116.07047	1.5
119.01876	0.5
120.04475	1.4
122.16829	0.5
123.04346	0.4
127.03889	0.8
131.01848	0.5
136.06110	0.6
138.05472	4.0
148.03908	56.2
161.02876	0.7
166.04961	100.0
167.05312	0.5
184.06015	50.8
219.57936	0.6
221.04765	0.4
232.59718	0.4
245.05017	0.7
246.05013	0.5
346.11292	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10423	0.5
52.12791	0.5
53.03885	4.1
55.01806	4.2
57.03368	6.1
61.02852	13.1
69.03347	23.4
71.04912	3.7
73.02829	5.3
75.88725	0.7
79.05398	5.6
81.03339	10.9
85.02825	100.0
86.13326	0.7
87.04387	3.3
91.03864	5.1
91.05414	0.9
97.02827	28.8
99.04392	4.9
102.24857	0.7
103.03877	1.2
103.05405	15.5
107.04903	4.5
109.02825	7.8
121.06456	53.6
122.06772	0.9
127.03869	18.3
131.04860	2.8
139.07506	2.6
142.84215	0.6
145.04939	18.6
149.05974	2.4
163.06012	4.2
167.06992	6.1
180.08607	0.7
184.09586	0.9
188.61327	0.6
190.95613	0.6
219.69537	0.7
360.45105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03859	2.5
55.01805	4.8
56.96495	4.1
57.03365	4.1
58.06519	2.9
61.02840	14.3
69.03355	25.3
70.06499	11.6
71.04917	3.5
72.08062	13.0
73.02834	4.4
76.05263	2.4
81.03327	16.1
84.04425	13.4
85.02827	100.0
86.09600	14.0
86.45533	3.6
87.04405	5.4
91.03819	3.7
94.44183	2.5
97.02818	39.7
98.97492	4.7
99.04379	3.6
105.95239	2.7
107.04899	74.2
109.02815	11.2
110.07098	17.0
116.98561	3.7
121.02879	2.9
122.07127	3.7
127.03880	14.5
134.99628	3.0
144.08057	3.3
145.04926	19.0
146.05975	3.7
149.05988	13.7
154.06563	3.3
162.05452	4.7
167.06975	4.9
172.94310	5.3
180.08665	10.4
188.06900	3.4
190.95374	16.6
208.96346	12.7
232.96283	6.2
250.97517	5.6
311.10590	2.7
329.78024	3.5
347.12906	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	346.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64073	1.0
53.12405	1.4
55.01799	2.4
55.05453	20.8
56.96499	3.4
57.03367	9.4
58.06528	1.4
58.86133	1.2
59.77848	1.2
61.01080	43.7
61.02867	5.2
67.05422	7.3
69.03342	7.4
70.06508	3.3
71.04893	7.4
72.08070	79.1
73.06473	1.6
75.02626	1.8
81.03330	3.5
83.04900	76.9
84.04420	1.9
84.08069	3.4
85.02821	25.0
86.09623	14.2
87.02628	14.8
88.07413	1.4
89.04199	1.9
91.05407	2.0
93.06972	2.0
95.04932	1.7
95.08534	7.5
97.02820	9.4
98.97508	1.7
101.05959	75.6
103.05724	9.2
105.91543	1.6
109.10069	2.2
109.17717	1.4
112.11186	2.6
113.04179	5.4
116.98563	2.6
119.07118	1.6
119.08560	11.6
120.08129	1.5
121.10105	1.4
123.04408	2.6
127.03914	2.6
131.05228	18.1
136.11099	1.4
137.09593	7.4
145.04878	1.6
147.08104	1.7
148.94386	1.4
149.06302	100.0
150.96796	1.4
156.13200	1.5
158.49254	1.5
166.04900	1.9
167.07329	47.0
174.24770	1.4
176.76590	1.5
185.16429	1.7
190.95422	6.9
196.16995	7.5
198.14861	12.2
208.96460	6.2
232.96326	3.2
240.15894	5.4
250.97632	3.3
254.52684	1.6
255.46219	1.4
258.16959	50.0
258.73752	1.5
263.67029	1.4
275.19733	1.5
293.73544	1.5
297.05438	1.4
329.24191	15.4
346.26950	37.5
347.13034	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	346.153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	2.5
55.05454	32.3
55.93078	2.2
56.96494	4.5
57.03366	10.5
59.04930	2.2
61.01080	54.8
61.02854	6.2
65.98772	2.2
67.05425	5.8
69.03346	14.2
69.06984	2.9
70.06506	10.5
71.04908	10.5
72.08073	20.0
73.02799	2.8
73.06451	2.9
77.34373	2.7
78.29958	2.5
81.03319	10.8
83.04900	89.6
84.04433	2.8
84.08048	2.9
85.02838	32.8
86.09629	25.4
87.02611	17.1
91.05415	3.8
95.04900	5.5
97.02820	13.3
98.97501	5.2
101.05949	94.1
103.05754	5.8
107.04884	5.1
109.02816	4.6
110.07110	4.0
113.04193	4.5
116.98490	8.4
123.04382	13.6
131.05199	20.9
134.99635	2.9
149.06291	100.0
155.06955	4.1
164.02269	2.6
167.07320	39.0
177.00636	4.3
183.06512	11.6
185.16383	4.6
190.95372	14.5
208.96466	12.4
211.02568	2.9
219.96681	2.7
225.07506	4.1
232.96436	3.9
237.02724	4.6
250.97350	4.4
258.16876	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	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81659	1.3
55.01799	2.0
55.05448	17.5
57.03369	14.6
62.05811	1.3
67.05072	2.8
67.05425	59.3
69.03348	2.5
69.06990	19.0
71.04908	14.8
72.43751	1.4
73.06456	1.4
79.05406	41.8
81.06974	100.0
83.04870	1.6
83.08528	10.5
84.08472	1.5
85.06486	8.3
89.05931	2.4
91.05413	36.5
93.06971	65.1
95.04877	3.1
95.08532	70.3
97.06497	3.5
105.06969	36.2
107.08528	36.7
109.06492	7.3
109.10126	14.2
111.08054	2.2
113.05215	1.5
115.07533	7.4
117.06226	1.6
117.06976	12.8
119.08540	27.3
121.10089	13.2
123.07993	2.2
123.11646	1.9
129.06989	3.5
131.08548	21.3
131.09456	2.1
133.10103	17.0
135.11662	6.2
143.08473	3.5
145.10106	13.4
147.11665	14.0
149.09607	6.2
157.10081	3.6
159.11627	12.3
161.13260	7.1
163.11180	3.7
171.11688	1.5
173.13164	12.8
185.13222	12.5
191.14305	2.5
203.14297	8.2
209.15225	3.0
219.17442	9.1
221.15366	12.8
223.16873	8.7
239.17882	2.8
257.18893	10.2
275.20010	57.7
293.21039	7.1
310.32507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	10.0
55.05449	35.8
57.03354	3.4
57.90020	2.0
63.34543	2.1
67.05424	97.2
67.23856	2.0
69.03349	2.8
69.06986	41.5
71.04896	3.7
72.63573	2.0
79.05409	46.3
80.49948	2.5
81.06969	100.0
83.04916	3.4
83.08546	25.3
84.02757	2.3
85.06470	3.8
91.05405	31.1
93.06963	48.2
95.04901	9.1
95.08532	37.4
97.06456	5.0
97.10102	22.3
105.06963	34.8
107.04870	3.9
107.08530	42.6
109.06443	5.4
109.10094	58.6
109.10773	3.6
111.07995	4.6
117.06954	11.0
119.08591	16.6
121.06438	2.9
121.10095	13.1
125.09602	13.3
131.08493	16.9
133.10104	22.4
135.08028	3.7
135.11612	9.1
145.10132	5.4
147.11627	8.3
149.09595	10.5
149.13226	13.5
149.69281	2.5
155.10608	4.0
159.11630	9.4
161.13348	2.7
163.11131	3.8
173.11713	41.8
173.13136	3.8
189.11234	10.4
195.13756	20.9
213.14819	18.9
254.93268	2.6
275.19962	40.2
293.20935	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40812	1.6
53.03878	3.4
54.56876	1.9
55.01808	11.9
55.05451	58.4
57.03373	11.7
57.07003	7.4
65.03852	2.7
67.05428	100.0
69.03352	4.2
69.06982	30.8
71.04900	15.7
71.08524	3.0
79.05410	60.9
81.03334	12.8
81.06974	59.9
83.04899	28.4
83.08544	15.8
85.02836	3.9
85.06467	4.7
85.10186	2.2
91.05396	43.9
91.13609	2.1
92.10846	2.9
93.06970	55.5
95.04903	23.8
95.08530	81.7
97.02840	2.5
97.06462	9.8
97.10110	12.5
105.06953	30.1
107.04924	9.3
107.08533	31.0
109.06455	3.1
109.10091	33.8
111.08057	4.8
113.09586	12.0
114.35933	2.1
116.57520	2.0
117.06964	7.4
119.08540	25.5
121.10090	37.8
123.08022	4.7
125.09586	10.4
129.07013	3.2
131.08524	15.1
131.73122	2.0
133.10112	20.6
135.08105	2.1
135.11649	9.9
137.09677	7.0
139.11090	13.9
143.10735	2.3
145.10110	9.0
147.11598	3.6
149.09630	12.7
151.11165	9.4
155.10629	3.0
159.11659	3.1
163.11137	4.1
167.10649	9.2
173.11719	12.2
175.11084	2.7
187.13231	2.8
191.10609	2.1
197.11818	2.5
199.34152	2.0
209.11653	2.6
275.19974	7.8
293.21054	20.2
327.42899	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49203	1.3
53.03893	2.2
55.01815	3.5
55.05450	37.0
55.49535	1.4
57.03371	9.1
57.07011	2.1
59.04924	1.9
59.91026	1.8
64.70014	1.7
67.05430	100.0
69.03349	6.7
69.06995	22.1
71.01234	1.8
71.04916	8.5
71.08554	16.3
71.23488	1.6
72.08340	1.5
73.02805	2.1
79.05415	30.8
79.32137	1.7
81.03323	2.8
81.06977	36.8
83.04902	41.6
83.08544	12.2
91.05418	23.5
93.06978	33.1
95.04893	7.5
95.08537	38.6
97.06455	8.8
97.10099	4.1
99.08028	7.6
105.06978	7.6
107.08536	9.9
108.45898	1.5
109.10101	37.3
111.08053	3.6
117.06979	2.8
119.08559	9.7
121.10086	11.4
123.11668	2.1
130.18118	1.7
131.08488	2.7
133.10109	2.3
135.11652	2.9
137.09590	2.3
139.11156	60.4
141.04555	1.6
145.10147	2.0
151.11174	9.0
155.10681	2.5
163.11131	16.1
173.11707	18.9
173.13075	2.4
275.20068	9.0
285.07050	2.1
293.21136	10.5
311.21854	2.1
313.28168	1.8
330.06781	9.2
346.09946	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46423	5.6
53.00237	7.9
55.05452	69.0
57.03355	23.6
57.07000	29.3
57.24176	4.6
58.33546	4.3
67.05421	100.0
69.03301	5.5
69.06976	23.9
71.01260	39.5
71.04902	6.5
71.08550	84.7
74.05975	23.5
79.05405	56.7
81.03333	21.4
81.06978	79.7
83.04888	26.8
83.08524	27.1
91.05403	54.9
93.06989	59.4
95.04897	22.0
95.08527	50.7
97.06448	6.5
97.10088	10.0
99.07998	26.1
105.06970	34.2
107.08538	28.5
109.10124	12.8
119.08552	25.0
121.10101	9.7
131.08586	5.4
133.10088	24.2
135.11647	10.1
147.11639	7.0
151.11147	19.6
159.11571	5.6
161.13301	6.3
163.11168	8.7
166.85164	5.7
172.95226	42.3
177.12593	6.6
190.96234	25.5
277.21573	30.1
305.38531	6.0
313.27072	7.1
314.77017	5.5
316.99170	5.6
335.00287	7.9
347.21594	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	346.3101
Annotation	Funtumafrine C
Peak:m/z	Relative Intensity
52.71715	0.4
57.06994	0.6
65.03853	0.9
67.05447	0.5
84.76003	0.4
91.05404	100.0
92.05765	0.7
95.84092	0.5
346.30933	21.6
347.31290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78471	0.6
53.77102	0.6
55.05454	0.7
57.06774	0.9
57.07010	14.9
58.06528	2.9
62.55478	0.7
62.94331	0.6
63.21654	0.7
66.03905	0.6
68.04956	0.7
70.06144	1.4
70.06509	35.9
71.08549	5.6
71.08866	0.7
74.05981	0.8
84.08018	0.7
85.10080	0.9
86.09579	0.7
88.07552	36.2
91.82913	0.7
102.08479	1.1
102.09116	22.5
116.75319	0.7
132.10205	1.0
150.11215	1.2
181.52782	0.8
240.26773	0.7
245.60550	0.8
258.27979	0.7
284.29410	70.9
285.29617	0.9
311.71600	0.9
328.31946	3.9
346.33090	100.0
347.33429	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.8
55.01801	1.2
56.96498	9.5
57.03358	1.0
61.02840	1.7
69.03333	3.6
70.06499	6.8
72.08044	1.5
73.02808	1.0
74.77534	0.8
79.05406	0.7
81.03326	3.1
83.97948	0.7
84.04433	1.7
84.08044	1.9
85.02824	18.2
86.03138	1.8
86.09592	1.2
97.02806	4.0
98.97472	1.0
100.07217	0.8
103.05385	2.0
107.04855	1.1
107.45252	0.7
109.02805	1.2
110.07078	0.9
111.76006	0.7
116.98518	1.5
120.08061	0.8
121.06451	7.2
122.06779	1.5
127.03854	3.1
129.10222	1.6
145.04935	4.8
162.05443	5.1
163.03851	0.9
192.03267	3.3
200.00269	0.9
202.01607	1.3
206.01303	1.2
206.04254	0.9
208.02785	1.3
210.04326	23.7
220.02785	18.1
224.02246	4.4
228.05351	12.2
236.02257	12.3
237.02750	1.0
238.03777	35.4
238.05983	1.6
246.00758	1.5
254.03275	22.1
256.04858	34.0
264.01678	22.4
282.02771	100.0
283.03168	4.2
300.03763	9.2
305.04300	3.4
317.50986	1.0
324.03848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1309
Annotation	Nordercitin
Peak:m/z	Relative Intensity
53.09859	0.9
56.76110	0.9
56.96478	1.0
61.02849	1.3
62.58012	1.0
66.86314	1.0
69.03347	2.4
70.06508	1.3
85.02792	3.9
97.02826	2.5
104.79413	1.1
113.03448	2.1
118.06490	1.3
119.01881	7.0
130.06485	2.6
132.08110	1.5
136.06148	2.7
137.02971	2.2
167.06750	2.2
185.04202	4.5
185.07820	16.0
190.64919	1.2
203.05232	5.2
229.95447	1.1
248.89127	1.1
285.13095	2.4
301.12534	28.8
347.13043	100.0
348.13449	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	3.4
53.03883	4.6
54.48139	2.7
55.01818	6.1
55.05220	4.5
55.05450	69.7
57.03373	40.5
67.05075	4.3
67.05424	100.0
67.89964	2.9
69.03343	5.6
69.06984	72.4
71.02178	3.7
71.04909	36.9
73.27037	2.7
76.56922	3.5
79.05411	75.1
81.03332	8.4
81.06972	94.1
83.04897	27.6
83.08542	33.7
85.02833	3.7
85.06454	13.8
91.05405	59.2
93.06969	98.9
95.04914	24.2
95.08534	67.3
97.06472	24.6
97.10091	22.8
99.07997	4.9
105.06978	43.3
107.08544	53.2
109.06458	40.6
109.10107	35.5
111.08016	20.3
114.09155	4.5
115.07513	3.0
117.06964	8.3
119.08538	28.8
121.06466	4.0
121.10102	43.4
123.07983	18.8
123.11607	3.8
125.09591	15.1
129.06926	8.1
131.08536	30.7
133.10109	20.9
135.11653	5.0
137.09631	3.9
139.11147	20.7
145.10083	16.5
147.11659	7.6
149.09633	8.4
157.10080	4.3
159.11606	6.0
161.13219	7.0
162.66351	3.5
173.13208	4.3
187.13266	4.3
189.11214	4.9
203.12743	12.7
205.15761	5.2
235.16936	6.1
257.18823	4.1
275.19989	57.0
293.21005	38.4
311.22180	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	348.07
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
55.05446	0.1
55.88070	0.2
56.04960	0.4
61.58083	0.2
61.83514	0.1
69.03345	0.9
70.06502	0.3
70.70808	0.2
72.08046	0.5
72.83707	0.2
73.16676	0.2
84.04411	0.4
84.08056	0.9
85.02853	0.2
86.09627	3.3
87.10500	0.2
97.02821	8.0
98.98388	0.3
107.04896	0.3
114.37086	0.2
119.03501	0.8
129.10214	0.2
130.08632	0.2
131.44556	0.2
132.10196	1.1
136.06160	100.0
137.04546	1.2
137.06538	0.3
144.10335	0.2
166.07188	2.2
167.07037	0.5
208.45602	0.2
300.42953	0.2
348.06857	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	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23281	0.8
54.81810	0.8
56.96510	1.2
60.05568	1.0
61.02861	1.4
65.01295	0.8
65.03867	27.8
69.03349	4.6
70.06507	5.6
73.02823	1.0
81.03331	1.1
84.79204	0.8
85.02824	12.4
86.99738	1.0
91.03898	1.3
93.03342	17.2
96.98248	1.0
97.02825	5.5
98.97504	1.1
110.03618	8.5
111.04395	100.0
116.98564	1.4
123.04408	1.1
125.05952	51.1
131.08516	1.2
134.99634	1.7
136.06201	8.1
146.06001	9.6
151.03894	24.6
151.04985	1.7
155.89786	1.0
169.04924	86.6
191.08157	1.2
202.59219	1.0
285.52496	1.0
348.16537	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48072	2.4
54.48128	2.8
54.50214	2.6
57.03360	3.1
60.05572	2.8
61.02842	5.3
65.03873	27.5
69.03339	13.2
69.06995	3.4
70.06508	33.6
72.08076	4.4
72.50037	2.5
75.02152	2.4
76.02126	15.4
81.03339	10.9
81.23766	2.5
83.71937	2.6
84.04422	7.0
84.08071	4.1
85.02824	39.7
86.09623	6.3
91.05399	5.3
93.03335	6.9
97.02825	26.6
109.02890	3.5
111.04397	100.0
116.07049	20.7
124.97397	2.5
125.05965	47.6
127.03837	3.8
128.01402	2.7
131.08534	31.3
134.99579	3.7
136.06169	64.4
145.04918	4.1
145.10065	5.5
151.03917	22.1
169.04930	87.9
191.10710	3.5
194.70093	2.9
204.86647	2.5
210.78775	2.9
219.07974	4.3
223.36627	2.6
347.13196	3.0
348.17068	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	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	1.6
55.05448	28.3
57.03367	6.9
59.04929	5.4
66.01594	1.4
67.05424	100.0
69.03350	1.5
69.06991	11.3
71.04902	2.4
71.08536	9.1
79.05400	16.5
81.03281	2.7
81.06966	34.0
83.04920	1.5
83.08542	19.0
85.06474	1.7
91.05408	11.1
93.06955	17.7
95.08536	12.5
96.07825	1.3
97.06449	1.9
97.10092	16.5
99.08013	3.5
105.06941	5.8
107.08546	10.7
109.10100	76.7
111.08030	2.6
114.45113	1.4
119.08512	7.8
121.10070	2.1
125.09600	10.4
127.80019	1.8
133.10095	1.9
137.09593	3.0
151.11147	1.9
155.10631	12.3
161.13234	2.3
162.90120	1.3
173.11693	75.2
189.11182	7.2
216.29008	1.7
242.99158	1.4
259.20413	1.9
277.21622	15.9
295.22650	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	348.274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81789	3.1
55.01807	6.1
55.05223	2.7
55.05451	47.9
57.03354	4.7
57.07009	3.0
58.69487	2.1
61.48934	1.8
61.96129	2.0
63.78864	2.3
64.86336	2.1
67.05432	100.0
69.06990	20.0
71.04915	2.5
71.08549	21.7
79.05401	36.3
79.44614	2.3
81.06513	3.2
81.06978	88.9
83.04878	5.3
83.08538	35.5
85.06460	3.3
89.90450	2.1
91.05402	28.0
93.06985	56.9
95.04886	4.6
95.08532	34.7
97.06451	11.0
97.10104	20.6
99.08010	10.2
105.06973	12.9
107.08548	27.4
109.06477	4.0
109.10102	47.4
111.08052	5.5
117.06945	5.1
119.08522	5.4
121.10084	14.2
123.11678	4.6
125.09566	14.6
131.08530	12.1
133.10112	18.5
135.11658	17.3
144.43401	2.7
149.13211	23.1
151.11189	9.8
155.10551	2.4
159.11667	11.2
161.13193	3.5
173.11703	29.4
177.12604	3.3
189.11185	13.1
195.13782	30.5
213.14883	22.2
277.21536	30.4
295.22638	13.7
333.10559	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	348.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77551	0.6
55.01818	1.2
55.05449	11.7
57.03374	9.1
57.07009	1.6
59.04944	5.4
67.05431	90.7
69.03361	0.9
69.06991	6.2
70.91035	0.6
71.04898	3.5
71.45497	0.6
77.92656	0.7
79.05405	4.4
79.98737	0.8
81.03330	0.7
81.06980	24.4
83.04897	1.1
83.08541	9.9
85.06467	3.0
89.37164	0.6
90.41846	0.7
91.05413	5.7
93.06977	6.6
95.04922	0.9
95.08533	6.5
97.06441	1.1
97.10103	0.9
98.74227	0.8
99.08040	0.9
107.08545	3.7
108.14693	0.8
109.10108	100.0
110.10413	1.5
111.08038	3.6
111.10747	0.7
113.82237	0.8
119.08543	7.5
121.10060	0.8
125.09581	1.0
135.11633	1.3
137.09627	6.0
155.10637	17.3
173.11700	84.1
174.12057	1.2
240.07657	0.7
277.21585	3.0
295.22617	3.1
316.00247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	2.4
55.05447	16.6
57.03381	9.7
59.04933	5.4
62.42676	1.0
67.05423	100.0
69.03351	4.8
69.06976	11.4
71.04916	2.1
71.08540	2.1
71.74751	1.1
75.61576	1.2
79.05414	14.9
81.06971	43.3
83.04885	2.4
83.08540	14.0
85.06444	5.4
90.81789	1.1
91.05408	10.9
93.06973	21.6
95.04892	1.6
95.08517	13.0
97.06438	1.4
97.10088	5.7
99.08024	2.0
105.06964	1.9
105.11754	1.2
107.08527	10.6
109.10102	77.3
111.08038	8.1
113.05956	16.9
117.06969	2.4
119.08552	8.7
120.37701	1.4
121.06525	1.4
121.10116	7.8
123.11681	1.5
125.09562	1.5
131.08540	2.2
133.10109	5.4
135.11655	2.7
137.09610	2.6
149.13199	11.7
151.11154	2.2
155.10629	11.8
159.11626	5.1
173.11681	67.8
173.13150	2.5
174.11972	1.7
195.13754	15.9
213.14746	8.7
277.21634	8.4
295.22601	7.1
306.17194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90081	1.5
55.05452	16.7
62.39974	1.7
67.05406	13.3
69.06982	80.8
70.06495	3.6
72.08057	2.2
79.05421	2.3
81.06496	2.4
81.06960	9.4
83.08551	3.1
84.08058	12.7
86.09622	90.2
95.08517	8.5
109.10101	3.1
110.41300	1.9
112.07539	61.5
121.80016	2.1
123.56560	1.9
140.10681	3.2
154.12204	12.1
168.13808	3.0
171.35240	2.0
173.26567	1.8
182.15331	2.1
214.69229	2.0
219.86838	1.9
348.32516	100.0
349.33041	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	349.0893
Annotation	Pibocin B
Peak:m/z	Relative Intensity
52.15797	1.7
54.81900	1.8
55.05441	1.9
56.96505	18.8
64.62318	2.1
67.22082	1.8
69.03345	4.9
70.06501	4.8
72.08074	3.4
74.99235	2.2
81.03348	4.3
84.04433	3.0
84.08055	9.5
85.02834	22.8
86.09622	4.2
97.02824	3.3
98.09609	4.0
98.97508	10.7
100.07555	4.8
107.04933	2.9
109.02859	2.9
110.07108	5.3
112.11192	18.4
115.03886	2.0
116.98564	15.6
121.06486	3.9
127.03896	4.2
129.13824	2.8
134.99635	21.0
147.04379	18.2
151.03879	2.8
153.00642	5.0
155.11736	10.1
184.00369	13.0
185.04184	33.4
187.03659	4.8
199.02693	3.3
202.01443	3.8
203.02052	2.9
204.10045	3.4
213.72449	2.4
227.99292	2.0
243.01752	34.7
246.00389	8.6
261.02753	88.1
261.91290	2.3
285.02664	3.7
303.03763	18.1
349.08850	100.0
349.18155	9.0
349.25897	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	349.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	6.1
55.05455	37.1
56.05782	4.0
56.96505	68.8
57.03371	8.5
57.06999	5.0
60.94030	3.8
67.05430	100.0
68.05776	8.2
69.06985	38.5
71.08556	6.1
71.95174	5.8
79.05405	24.9
81.06974	60.9
82.07299	5.8
83.04902	6.3
83.08531	25.3
84.08838	3.7
85.00072	3.9
91.05405	19.6
92.64404	3.2
92.65038	3.7
93.06976	38.7
95.04914	7.4
95.08535	26.7
97.06484	5.3
97.10104	15.3
99.08022	8.2
105.06967	6.3
107.08540	27.9
109.10112	64.1
110.10441	8.2
119.08514	9.0
121.10145	7.1
125.09604	4.5
128.23279	4.1
128.98575	8.1
133.10098	7.5
134.99586	5.1
135.11639	7.9
146.99603	27.8
147.11765	6.5
149.13203	15.9
155.10629	6.0
159.11716	3.7
161.01112	3.6
165.00726	5.2
173.11697	46.8
174.11995	6.8
187.02827	4.6
189.11182	6.3
195.13832	17.1
199.06458	5.9
203.05930	6.9
205.07457	4.5
211.06442	5.4
213.14835	17.8
217.07350	29.1
223.02676	4.6
223.08501	6.0
225.07973	3.7
229.58862	4.1
237.07974	5.1
255.08969	21.0
269.10709	6.6
273.10059	24.3
277.21735	7.8
278.21979	4.9
288.95081	3.9
295.22513	4.9
296.22937	8.5
322.98947	4.0
331.15631	18.2
349.16690	72.7
367.17749	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58811	3.5
54.81449	4.7
55.05445	29.3
56.96503	98.3
57.07024	5.4
67.05428	88.6
68.05741	4.6
68.96088	3.8
69.06980	21.2
70.39510	3.7
71.08540	18.2
71.37588	4.2
71.95154	5.3
79.05399	22.3
81.06969	63.3
82.07303	4.3
83.08537	29.6
91.05402	17.4
92.10273	8.4
93.06974	34.4
95.04882	5.0
95.08516	25.5
97.06430	5.2
97.10074	20.7
97.51506	4.3
99.08093	4.9
103.29575	4.9
105.06992	18.1
107.08519	18.6
108.08908	4.8
109.10114	56.0
117.06947	7.1
119.08578	6.6
121.10100	11.1
125.09575	6.8
128.98611	7.4
131.08563	5.9
133.10072	6.2
146.99637	20.5
149.13275	8.3
161.01135	5.4
173.11703	48.7
174.12059	5.5
187.02917	5.0
189.11176	6.4
195.13786	6.7
203.06018	5.5
213.14749	13.7
217.07352	5.8
277.11072	29.1
277.21613	17.2
278.21881	6.7
279.12866	7.2
295.12091	28.4
295.22467	9.0
297.13751	7.4
331.15762	37.8
349.16562	100.0
349.20670	7.3
349.64444	5.2
367.17810	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	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40107	2.7
55.01800	4.5
55.05455	47.3
56.96499	3.9
57.03379	8.1
57.07012	12.9
59.04943	4.1
67.05428	100.0
68.05769	13.1
69.03346	4.0
69.06986	28.6
70.06512	5.9
71.04897	4.0
71.08545	8.1
71.76627	3.0
79.05415	33.4
81.06982	69.2
82.07294	5.9
83.08533	32.1
85.06500	4.3
88.07561	6.9
91.05396	24.0
93.06980	50.0
95.04877	4.6
95.08553	19.7
96.08882	3.9
97.06472	7.2
97.10105	22.6
99.08045	4.0
102.09106	5.1
105.06953	6.7
107.08537	21.4
109.10108	68.1
110.10447	14.5
111.08080	5.2
117.06974	4.8
119.08557	6.3
121.10100	5.5
125.09623	13.5
131.08575	3.9
133.10109	12.9
135.11690	14.2
137.09648	6.2
149.13274	14.1
150.13596	3.7
151.11163	4.0
155.10683	4.9
165.96747	3.7
170.33537	3.4
173.11687	45.3
174.12041	15.1
186.96852	3.4
189.11244	5.9
195.13782	20.5
213.14865	16.4
256.26282	19.8
257.26529	6.6
277.21500	17.4
278.22076	5.4
295.22653	7.4
348.31012	17.6
349.16699	9.0
349.19797	21.0
349.31540	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	349.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45953	1.1
54.81877	1.8
55.22731	1.2
61.60557	1.2
83.19896	1.2
91.05458	1.9
92.10827	2.1
115.54608	1.6
122.78531	1.3
348.33713	1.9
349.23416	100.0
350.23416	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	349.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70981	0.9
57.07008	9.4
63.13869	1.1
66.41051	1.0
69.43137	1.0
71.08541	1.8
81.06966	1.1
85.44783	1.2
88.11188	16.5
96.47984	1.4
107.04884	15.7
123.08044	1.3
143.11900	1.2
236.16423	11.8
237.16731	5.5
262.64618	1.2
292.22720	5.5
293.22995	4.9
337.11264	1.2
348.28940	1.5
349.23428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	4.8
53.03876	3.8
55.01803	13.2
55.05223	4.1
55.05450	67.5
57.03366	18.1
57.07008	29.3
61.35973	2.5
67.05428	80.3
69.03352	4.1
69.06988	70.8
71.04897	13.5
71.08540	25.4
73.06466	4.8
76.83538	2.6
79.05405	58.0
81.03335	6.1
81.06973	86.4
81.53070	2.8
81.71363	3.1
83.04896	19.1
83.08521	18.4
85.06454	5.4
85.10096	55.0
91.05427	24.6
93.06959	62.8
95.04873	7.4
95.08535	80.2
97.06454	19.4
97.10099	35.4
99.08018	27.1
103.42052	3.6
105.06952	21.0
107.08530	44.5
109.06467	4.8
109.10101	22.6
113.09602	41.9
119.08530	16.7
121.06441	4.3
121.10110	53.6
125.09607	13.6
127.11132	5.1
131.08537	15.6
133.10080	16.1
135.11649	16.2
137.09579	5.0
139.11189	25.2
141.12711	21.1
144.09068	3.3
145.10120	3.1
146.12137	2.9
147.08003	3.2
147.11668	14.4
149.09540	12.5
151.11156	13.5
155.10628	12.5
161.13226	5.5
163.11124	5.5
165.12660	17.3
167.10686	5.4
183.13762	5.7
185.11700	6.3
203.12836	3.8
207.81039	3.2
211.13280	4.6
277.21576	55.7
280.09494	3.2
295.22626	100.0
313.23669	16.0
313.86908	3.1
349.19492	5.3
349.23331	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	349.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81694	0.7
55.01789	1.2
55.05442	1.0
56.04946	0.8
56.96498	1.3
58.06534	14.1
69.03336	1.5
70.06498	6.3
72.04421	2.1
72.08073	12.5
74.70020	0.8
79.05397	1.2
81.06961	1.1
84.04424	1.2
84.08065	61.3
85.02827	2.1
89.03824	1.3
91.05409	1.7
97.02829	1.6
98.06010	1.2
98.08971	1.3
98.09617	37.7
98.97505	5.3
100.07544	48.2
101.07056	1.2
107.04887	18.4
110.09615	5.4
112.11188	100.0
113.07067	17.0
115.08631	1.8
116.98556	4.1
117.03312	1.2
119.04902	5.7
121.06434	3.3
129.13837	44.1
134.99614	1.2
135.04399	1.3
136.07581	1.8
145.02806	1.4
146.06027	1.1
146.99765	1.1
147.04388	70.1
151.03844	1.8
155.11765	65.7
161.05891	1.6
162.05392	1.2
163.03821	7.6
167.07106	1.3
169.13324	11.9
171.14902	6.7
176.60425	0.9
177.00667	1.8
177.05463	2.0
179.11739	1.3
186.05530	1.4
204.10159	44.1
212.17601	0.9
214.04967	1.6
214.19138	4.3
218.08115	1.5
229.20244	2.2
233.16476	1.2
237.02892	3.2
246.07658	1.2
252.97929	1.4
275.17502	12.1
288.12277	3.7
309.08514	1.0
349.25897	82.8
350.26175	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	349.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69141	0.4
55.05436	0.5
56.96503	5.8
58.06532	8.1
58.09330	0.4
60.99981	0.4
65.77328	0.5
67.05404	0.7
70.06487	3.1
72.08073	7.8
84.08070	37.0
91.05420	4.6
93.06982	0.5
98.97507	0.7
100.26434	0.5
103.46420	0.4
104.76394	0.4
105.06980	0.4
112.11195	81.5
116.15044	0.5
116.42014	0.4
119.04900	15.7
129.13841	35.0
130.06474	0.6
134.99655	0.6
145.02773	0.7
146.05965	1.8
147.04390	100.0
148.04802	0.8
151.03850	1.0
151.04965	0.6
162.05464	0.6
177.05374	0.6
203.11722	0.8
204.10176	43.6
205.10600	0.6
220.02798	2.4
222.04369	1.9
238.03815	1.0
240.05312	0.8
248.02248	1.9
249.07890	0.7
257.53149	0.5
259.01254	0.7
266.03302	5.0
267.08914	4.3
272.67313	0.5
275.17487	13.2
283.48196	0.5
285.10092	8.6
286.10471	0.7
303.10754	0.6
332.23276	0.6
349.25909	36.8
350.26212	2.4
359.17444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04963	0.8
58.06261	0.8
58.06535	13.5
64.33073	0.4
64.65050	0.4
70.06506	3.1
72.04435	2.4
72.08070	7.8
75.09167	1.5
84.08070	62.4
85.08401	0.6
91.05382	1.8
98.09629	32.2
100.07551	43.6
101.07073	1.8
107.04901	15.4
110.09635	6.2
112.11195	100.0
113.07072	16.8
113.11510	0.9
116.98573	0.5
119.04880	7.1
121.06447	1.8
129.13846	40.1
136.07539	0.8
147.04388	61.1
148.04762	0.5
155.11772	55.1
162.05559	0.6
169.13339	8.6
171.14912	8.3
179.11787	2.4
204.10168	45.9
204.21185	0.4
205.10660	0.7
206.11705	0.5
212.17612	2.1
214.19150	4.2
221.12914	0.5
229.20184	2.4
233.16455	1.1
247.76610	0.5
253.20876	0.5
275.17465	12.4
279.48834	0.6
331.24872	0.8
336.40869	0.5
349.18658	1.9
349.25925	67.4
350.26160	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	349.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	1.6
56.96509	1.8
58.06540	14.9
61.02833	1.3
69.03336	3.2
70.06510	7.3
70.40023	1.2
72.04433	2.6
72.08064	12.2
84.04419	2.3
84.08074	57.0
85.02847	5.9
90.70774	1.6
91.05395	2.4
97.02813	2.7
98.09629	17.2
98.97497	2.6
100.07553	31.9
107.04912	10.8
107.16112	1.5
110.09650	2.5
112.10411	3.2
112.11197	100.0
113.07109	10.2
113.11498	1.7
116.98613	3.5
119.04894	14.3
120.08045	1.5
129.10223	1.6
129.13852	38.4
134.99612	1.7
139.04520	2.1
140.05284	2.9
146.06010	2.3
147.04399	92.1
155.11771	38.8
162.05524	1.6
169.13345	5.4
169.80759	1.8
170.06340	30.2
170.62306	1.4
171.14948	6.2
177.00682	1.9
183.52704	1.4
188.07352	7.1
188.10812	1.5
204.10184	48.4
207.06448	1.6
211.09557	1.6
217.04965	10.9
247.18837	1.5
272.05511	2.1
275.17465	16.2
306.99863	1.7
349.25922	52.9
350.26535	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	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05449	2.0
57.07010	6.0
58.08403	0.2
59.80149	0.2
66.96381	0.2
67.05428	2.9
69.06982	2.0
71.08555	2.0
78.96826	0.2
79.05418	1.9
81.06976	5.4
83.08542	0.3
85.06467	2.2
87.57526	0.2
91.05393	0.9
93.06963	1.6
95.08535	5.2
97.06429	0.3
99.08018	0.9
103.65294	0.2
105.06961	1.5
107.08534	2.2
109.06465	21.3
109.10094	1.8
111.08025	0.6
119.08530	1.2
121.10077	1.6
122.07241	2.7
123.08021	27.9
123.11627	0.3
131.08516	0.4
133.10074	1.1
135.08022	4.1
135.11609	0.4
136.08817	0.3
145.10069	0.4
147.11653	0.6
151.09464	0.3
159.11583	0.3
161.13242	0.3
165.12627	0.2
167.14296	0.3
175.14832	0.3
179.14270	100.0
180.14629	1.5
193.15833	2.8
205.42154	0.3
234.28430	0.2
293.21201	0.3
331.26147	1.9
349.27301	45.4
350.27625	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50706	1.4
53.62495	1.8
54.81257	2.0
55.05444	10.3
57.07013	1.8
58.49472	1.8
58.78632	1.5
60.51648	1.4
63.30285	1.7
67.05411	10.5
69.06988	19.8
71.76377	1.7
73.22694	2.0
79.05402	4.0
79.42967	1.7
81.06984	16.3
83.08539	9.2
85.09990	1.6
85.63029	1.8
91.05412	2.0
93.06963	7.8
95.08524	12.0
97.06438	2.1
105.06966	3.9
107.08542	3.8
109.06475	19.6
109.10053	3.8
119.08546	4.5
121.10061	7.7
123.08025	100.0
123.11646	2.3
125.40993	1.8
133.10121	2.0
135.07991	8.7
137.09567	3.8
149.09572	2.6
149.13211	1.8
152.35262	1.7
152.98061	1.8
179.14334	15.0
192.93108	1.8
202.44438	1.6
217.97414	1.9
255.24992	2.0
293.21072	21.3
349.27347	73.5
349.31357	2.9
350.10736	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	0.8
54.60360	0.5
55.01806	1.3
55.05447	1.0
56.96493	0.6
57.03363	1.0
58.99506	0.9
60.50545	0.7
60.85582	0.5
61.02857	2.4
64.56097	0.5
65.03861	9.0
67.05397	0.7
68.99704	2.7
69.03347	6.4
70.06513	1.0
72.08064	4.3
73.02818	1.0
74.22968	0.5
76.02137	3.6
81.03336	2.9
83.04915	5.4
84.04437	4.9
85.02832	16.7
87.04405	0.9
93.03331	2.4
95.12604	0.6
97.02814	7.2
98.03693	0.6
104.17412	0.6
109.02849	1.0
111.04390	53.6
114.66154	0.6
116.98602	1.2
118.08616	1.0
121.02840	1.0
121.03951	4.3
127.03855	2.5
130.04971	1.0
132.97453	0.6
134.99586	1.0
139.03882	100.0
140.04187	1.0
142.03146	0.9
145.04948	1.0
156.04144	3.8
158.06300	0.9
164.02246	0.8
171.06491	57.5
182.03342	1.0
188.03661	0.7
221.09550	1.1
248.72166	0.6
276.07397	2.2
294.08521	0.9
317.55368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	2.4
57.07016	25.2
67.05422	4.0
69.06982	3.0
70.45901	1.8
72.04424	9.1
74.05974	3.1
74.09631	12.6
79.05407	2.0
81.06965	5.2
85.06462	10.8
93.06965	4.5
95.04900	35.4
105.07274	11.3
107.08538	3.7
109.06439	4.8
119.08541	3.4
133.10374	4.5
133.74640	2.5
137.05931	14.6
147.11589	2.2
168.99272	2.3
171.11948	5.2
171.15933	2.1
179.10483	2.7
221.15324	100.0
266.21100	91.3
288.25195	2.3
350.23135	3.8
350.27197	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	350.2688
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
53.03886	0.9
55.05244	0.9
55.05457	12.4
56.36802	0.8
57.07000	1.3
63.65768	0.8
64.33505	0.8
64.59381	0.9
65.03859	1.3
67.05429	32.8
69.06987	6.2
72.04433	20.4
78.37352	1.0
79.05411	32.1
81.06976	33.3
83.08522	1.7
90.05481	100.0
91.05395	17.3
93.06974	34.8
95.04890	4.2
95.08539	20.1
97.10114	1.7
104.48247	1.0
105.06978	6.7
107.08538	21.6
109.06448	1.8
109.10092	7.7
114.09142	1.3
117.06973	4.6
119.08540	6.6
121.10099	12.6
123.11615	3.8
125.09576	3.9
126.00015	1.1
131.08534	8.7
133.10101	6.1
135.08038	1.7
135.11670	7.3
145.10143	5.0
147.11664	1.8
149.13216	6.4
159.11699	2.1
161.13217	1.3
170.15381	8.0
173.13232	4.1
173.62357	1.1
177.16307	1.8
179.10599	5.3
198.14857	13.6
243.21022	2.5
261.22037	7.0
304.26315	1.2
349.23587	3.9
350.23138	8.8
350.26874	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	350.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81102	1.0
55.01793	1.0
55.05446	6.3
56.04977	4.5
57.03352	1.1
60.04452	100.0
67.05421	9.6
69.07001	7.5
70.06503	2.2
71.04880	1.8
72.04427	1.9
72.08075	2.2
74.05972	1.6
74.55078	1.1
79.05423	7.7
80.04939	1.2
81.03304	1.3
81.06962	10.5
81.88383	1.1
82.06522	1.5
83.04907	1.8
83.08527	1.5
84.08088	1.3
85.02832	1.6
91.05409	6.3
93.06959	6.5
94.06479	1.2
95.08540	14.1
97.06480	2.2
98.97518	1.7
100.07545	1.3
105.06958	2.3
107.08546	4.8
108.85318	0.8
109.10101	5.3
110.07139	1.4
117.03344	3.9
119.04928	1.7
119.08480	1.5
121.10114	4.0
133.10114	1.7
135.11674	4.4
145.02802	5.1
146.05951	1.1
147.04398	4.3
147.52357	1.1
153.12723	5.3
154.58267	1.0
156.42455	1.1
162.05495	1.3
177.05434	6.8
207.06467	1.7
214.28775	1.1
215.63864	1.0
260.23608	1.7
266.03226	1.9
278.24747	6.9
296.25745	5.2
314.26904	4.6
332.27768	10.7
350.28943	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47020	0.6
53.00238	0.8
55.05427	1.2
56.96509	0.8
57.07009	10.7
58.06521	3.2
60.03396	0.6
60.04453	0.8
67.05437	1.1
67.16890	0.6
68.04910	0.8
70.06506	51.4
71.08539	5.0
72.08070	6.7
81.06954	0.8
84.08067	9.0
85.02812	1.1
86.05954	0.7
86.09621	10.3
88.07550	5.3
89.05925	3.0
95.08549	0.7
105.06953	0.8
114.09153	4.6
114.09818	0.7
117.29108	0.6
132.10162	13.3
146.11749	16.4
147.04305	0.8
156.17496	7.8
176.12773	3.1
182.18916	4.4
190.14369	2.7
200.20085	2.7
226.17282	0.7
244.22656	77.5
245.22986	1.2
288.25247	32.7
315.07861	0.6
350.28918	100.0
351.21310	1.5
351.29254	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15113	2.1
53.03708	2.0
55.05438	15.9
57.06997	12.0
60.08067	3.5
62.01464	2.7
64.00511	2.0
64.28557	2.2
66.48812	2.3
67.05421	14.2
69.06981	14.9
71.08538	5.5
72.04063	3.8
72.04433	61.7
72.04813	5.2
79.05389	3.7
81.06969	22.1
89.05956	33.3
93.06956	13.7
95.04928	3.5
95.08559	18.4
97.06448	3.0
103.74098	2.6
105.06948	3.0
107.08535	16.8
114.09125	3.0
119.08543	3.8
121.10088	5.6
123.08025	9.4
129.11406	2.7
129.12373	2.4
133.10085	4.3
135.11630	2.7
151.09624	21.4
163.14906	2.9
179.14264	6.3
184.16965	4.4
219.94997	2.7
305.24619	14.3
333.27539	4.3
350.26459	4.7
350.30463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	2.0
55.05455	11.9
57.07019	11.4
57.89943	0.8
60.08097	100.0
61.08434	0.8
67.05430	11.0
69.03326	0.8
69.06996	13.9
71.08550	15.5
72.61709	0.9
79.05414	8.3
81.06985	19.4
83.08528	3.9
85.06486	1.1
85.10130	0.9
86.05993	2.0
89.05956	18.6
91.05388	5.6
91.92755	0.8
92.76833	0.9
93.06966	15.7
95.04907	4.6
95.08537	16.1
97.06439	2.1
97.10094	2.1
98.09595	0.9
99.08032	6.7
104.99200	1.1
105.06970	4.3
107.08543	7.9
109.06473	11.1
109.10126	5.6
111.08078	0.9
119.08528	5.3
121.10094	2.0
123.08016	1.5
123.11650	1.2
128.10701	2.0
133.08556	0.9
133.10103	5.1
135.11632	1.2
137.09592	1.0
142.12236	1.0
149.13271	1.5
151.09642	12.2
153.12759	1.0
159.11746	1.8
165.12714	14.1
170.15361	1.3
175.14844	2.0
177.50371	1.0
179.14317	2.2
184.13257	1.1
196.16809	1.0
203.14285	0.9
226.17900	1.3
252.23146	11.3
291.23190	15.1
308.38690	0.9
332.29633	1.0
350.30469	64.6
351.23047	5.2
351.30960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06734	3.5
57.07011	96.2
71.08541	61.6
73.06435	2.2
85.10098	30.4
89.05949	100.0
107.06996	3.6
133.08569	12.5
137.13972	2.0
151.08412	3.4
151.09631	73.2
238.88071	1.8
275.42688	1.9
282.14688	1.9
293.38516	2.0
333.29868	15.5
360.08499	2.0
361.30264	2.1
373.15482	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	2.0
56.42058	1.5
57.07012	67.1
57.76953	1.4
69.29935	1.4
71.08552	48.9
72.11847	1.6
79.13401	1.6
85.10119	20.4
85.27952	1.5
89.05958	100.0
95.17133	1.6
107.07051	2.2
122.20216	1.8
133.08537	6.6
151.09636	65.6
151.10809	2.7
163.37097	1.8
217.84990	1.9
238.08063	2.0
258.02905	1.7
308.19357	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	62.6
55.57373	3.3
57.07009	14.2
63.94313	2.7
67.05431	18.2
69.06989	66.9
71.08548	76.5
79.05408	5.3
81.06976	32.5
83.08561	24.8
83.08960	2.6
86.05989	6.2
88.11192	95.3
88.30443	2.4
89.05968	30.3
91.05415	4.5
93.07033	3.5
95.08543	24.1
97.10115	14.7
102.82320	2.7
105.06951	3.3
107.08517	4.5
109.10110	14.6
119.08569	3.4
123.11653	4.6
124.71315	3.0
133.08592	4.0
138.06592	3.0
151.09590	11.8
156.13835	5.5
170.15402	5.1
184.17088	4.0
187.96181	3.2
209.09250	3.1
350.34137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46311	1.4
53.97978	1.3
55.05188	2.2
55.05450	63.1
56.04963	1.4
57.07013	11.2
67.05425	26.8
69.06987	71.2
70.06505	1.6
71.08543	75.2
72.08118	1.4
77.78954	1.4
79.05416	11.0
81.06972	27.0
82.31339	1.3
83.08540	23.1
84.08094	1.9
86.05981	10.5
86.09614	2.9
88.11187	100.0
89.05943	7.7
91.05399	3.6
92.10198	2.8
93.06961	11.5
94.06473	2.3
95.08532	26.7
97.06483	3.0
97.10104	9.4
100.07499	1.7
105.06977	7.1
107.08540	7.1
109.10059	11.2
111.08038	1.9
114.09110	1.8
119.08521	6.3
120.28676	1.6
123.11604	1.7
128.39526	1.6
133.10095	6.2
135.11702	1.7
142.12277	2.9
151.09673	6.4
156.13823	10.0
163.14767	1.8
170.15355	8.0
184.16893	7.9
198.18434	3.2
209.35019	1.6
212.19876	1.9
212.99040	1.7
229.08794	2.0
245.22574	3.1
331.32388	1.7
350.27286	3.1
350.34091	89.6
350.45007	1.5
351.34595	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06135	2.2
67.40727	2.1
92.10783	3.4
93.11778	2.5
93.62772	2.4
108.67929	2.4
118.29414	2.3
118.39569	2.5
159.00607	3.2
202.18559	2.3
268.44922	2.4
330.03903	2.5
351.06818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20661	1.6
55.05449	2.0
56.96498	29.7
57.03369	4.0
62.30944	1.7
65.96347	1.8
67.75771	1.7
69.03340	4.9
70.06522	8.9
73.02819	2.1
73.06470	4.3
81.03362	2.2
84.04423	3.8
84.08070	3.5
84.95962	3.5
85.02851	18.8
86.09626	4.2
97.02854	4.8
98.97514	100.0
98.98304	6.0
110.07103	2.7
110.97524	9.5
116.98567	95.4
128.98555	26.1
129.10187	2.0
129.29141	2.5
131.00162	9.6
134.99625	68.3
143.00105	2.1
145.01686	2.3
146.99631	30.8
147.03282	11.1
149.01138	2.2
153.00655	13.8
158.99593	29.7
161.01115	7.0
162.99095	2.4
163.02786	4.6
165.00662	3.7
165.04324	15.2
170.99654	10.6
177.00667	62.4
179.02168	2.8
189.00693	10.4
189.04279	10.7
195.01799	4.2
201.00659	2.8
207.01787	4.8
207.05457	4.2
219.01721	21.7
231.05275	2.0
237.02751	74.0
237.04944	3.6
249.06412	2.1
255.03844	8.4
267.13254	2.9
283.91202	1.9
288.91656	2.1
291.07355	17.1
309.08496	69.3
309.12085	3.3
351.09540	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	351.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81899	1.0
55.05444	8.3
56.95482	1.0
56.96491	1.8
65.03888	1.2
65.63168	0.9
69.03353	2.3
70.06504	5.2
72.08063	2.0
79.05407	1.3
83.04909	10.8
84.04431	2.2
84.08088	4.7
85.02837	5.8
86.09625	1.4
93.06995	2.1
97.02814	2.7
107.04858	1.6
107.08521	1.8
110.07099	1.2
116.98701	1.2
117.03330	1.3
119.04836	1.3
122.24728	1.2
130.06519	1.8
133.03105	1.5
135.08060	2.1
145.02809	2.7
146.06032	6.5
153.09059	2.1
162.05472	6.0
177.05438	5.8
177.99525	5.9
185.04176	9.0
189.05203	25.2
195.28772	1.2
203.05240	2.6
216.08823	2.5
217.09525	6.9
237.02725	1.5
265.03815	1.9
276.10767	2.7
309.03030	1.3
351.10440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	1.9
56.96495	3.4
57.03378	1.8
66.04317	1.7
68.29933	1.6
69.03358	8.0
70.06509	3.8
72.08070	3.0
73.06474	2.6
80.55983	1.7
81.03321	3.1
84.04419	4.0
84.08088	2.3
85.02834	15.9
97.02827	4.8
98.97505	4.5
107.16566	1.9
107.72118	2.2
108.54622	2.1
111.04388	4.8
116.98564	9.0
127.03869	2.2
134.99629	4.5
139.03893	10.9
143.68306	2.1
146.06029	2.7
158.99654	3.4
162.05511	9.3
171.06525	3.0
190.05058	2.1
235.93871	2.1
309.08630	7.9
351.10815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2136
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.19389	1.3
53.47461	1.2
55.05445	3.3
60.19378	1.5
61.77422	1.5
67.05408	3.3
69.06976	2.9
72.39986	1.8
80.00907	1.6
81.06974	2.7
81.15173	1.6
90.26260	1.9
93.06961	1.8
95.08558	6.0
121.45051	1.9
178.37950	1.8
197.55853	2.1
199.94324	1.7
220.64301	1.8
351.21344	100.0
351.25000	5.7
352.21628	1.9
355.96893	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2139
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
67.05419	5.2
71.08558	0.9
75.81176	1.0
79.05421	1.1
91.05470	0.8
92.10954	1.7
107.91262	0.9
110.34192	0.8
119.08588	1.0
127.97684	0.8
151.11343	0.9
304.25302	0.9
351.21344	100.0
352.21652	1.8
373.63718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05224	2.8
55.05454	51.2
56.05761	2.1
57.07008	8.9
57.85580	1.6
59.29322	1.7
67.05439	13.7
69.06992	44.9
71.08559	2.2
79.05406	3.2
81.06972	9.6
83.08537	22.0
91.05400	3.1
95.08544	12.1
97.10098	13.8
104.59232	2.1
105.06925	2.8
107.08566	2.1
109.02910	2.1
109.10094	4.0
124.20922	1.7
156.97495	10.1
174.98575	23.7
175.98552	3.3
181.76440	1.9
182.98975	2.7
194.98949	3.8
198.98489	20.9
201.00169	10.5
213.00063	21.7
216.99553	4.0
231.01117	3.0
240.99702	2.3
283.00775	2.7
301.01602	50.9
302.01855	11.6
319.02750	7.7
320.28616	2.0
333.19949	2.4
351.21390	100.0
356.34976	2.5
357.04269	20.0
358.04520	2.1
371.91547	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42589	1.3
53.00243	2.9
53.03881	3.0
53.29967	1.6
53.80540	1.4
55.05450	69.5
57.03363	3.4
57.07018	18.1
67.05425	55.0
69.03339	1.9
69.06989	59.0
78.04630	2.1
78.69936	1.7
79.05405	88.4
80.95709	1.7
81.03323	3.3
81.06973	58.3
83.08542	27.6
85.06464	2.5
91.04828	2.5
91.05405	74.9
93.06971	100.0
95.04894	16.4
95.08538	38.6
97.10088	19.2
103.62981	1.8
105.06964	64.4
107.08540	49.2
108.65698	2.1
109.02794	7.3
109.06485	2.4
109.10075	13.5
111.11636	1.8
117.07015	13.7
119.08543	46.1
121.10102	32.6
123.08016	2.2
123.11613	2.8
129.06943	8.2
131.08551	14.2
133.10100	31.3
135.11671	21.5
137.09567	2.8
137.13208	1.8
142.07872	2.3
143.08575	8.8
145.10095	14.6
147.11664	26.0
149.13281	10.3
156.23514	1.9
156.97461	16.2
157.10086	3.4
159.11671	7.8
161.13200	15.4
161.47308	2.3
163.14763	3.2
167.59937	2.0
171.11653	3.6
173.13145	2.1
174.98497	37.1
175.14806	3.7
180.97408	2.2
182.99103	2.9
185.13203	3.5
194.99048	8.6
198.98485	19.5
199.14819	2.9
201.00137	10.4
213.00084	41.3
214.00157	4.4
216.99510	8.0
222.98653	2.6
231.01131	9.5
231.21120	2.6
240.99561	8.5
241.19466	9.3
246.98524	2.2
252.91728	2.1
259.20526	40.8
277.21503	9.1
301.01563	43.3
302.01767	7.5
319.02643	3.2
333.24240	2.4
343.63177	2.0
351.21207	3.2
351.25015	20.2
357.04309	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42589	1.3
53.00243	2.9
53.03881	3.0
53.29967	1.6
53.80540	1.4
55.05450	69.5
57.03363	3.4
57.07018	18.1
67.05425	55.0
69.03339	1.9
69.06989	59.0
78.04630	2.1
78.69936	1.7
79.05405	88.4
80.95709	1.7
81.03323	3.3
81.06973	58.3
83.08542	27.6
85.06464	2.5
91.04828	2.5
91.05405	74.9
93.06971	100.0
95.04894	16.4
95.08538	38.6
97.10088	19.2
103.62981	1.8
105.06964	64.4
107.08540	49.2
108.65698	2.1
109.02794	7.3
109.06485	2.4
109.10075	13.5
111.11636	1.8
117.07015	13.7
119.08543	46.1
121.10102	32.6
123.08016	2.2
123.11613	2.8
129.06943	8.2
131.08551	14.2
133.10100	31.3
135.11671	21.5
137.09567	2.8
137.13208	1.8
142.07872	2.3
143.08575	8.8
145.10095	14.6
147.11664	26.0
149.13281	10.3
156.23514	1.9
156.97461	16.2
157.10086	3.4
159.11671	7.8
161.13200	15.4
161.47308	2.3
163.14763	3.2
167.59937	2.0
171.11653	3.6
173.13145	2.1
174.98497	37.1
175.14806	3.7
180.97408	2.2
182.99103	2.9
185.13203	3.5
194.99048	8.6
198.98485	19.5
199.14819	2.9
201.00137	10.4
213.00084	41.3
214.00157	4.4
216.99510	8.0
222.98653	2.6
231.01131	9.5
231.21120	2.6
240.99561	8.5
241.19466	9.3
246.98524	2.2
252.91728	2.1
259.20526	40.8
277.21503	9.1
301.01563	43.3
302.01767	7.5
319.02643	3.2
333.24240	2.4
343.63177	2.0
351.21207	3.2
351.25015	20.2
357.04309	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73518	3.9
55.05444	30.5
56.98592	4.2
57.03371	26.7
57.12698	3.9
60.57133	4.1
67.05429	100.0
69.06977	22.3
71.08553	64.0
74.17223	4.2
79.05424	62.6
81.03337	7.5
81.06985	76.7
83.04883	12.2
83.08530	12.3
91.05407	46.2
93.06970	80.6
95.04890	25.1
95.08538	39.6
97.06464	8.2
97.10088	6.3
99.08018	32.8
105.06953	37.0
107.04910	4.5
107.08552	56.9
109.06438	6.9
109.10112	27.2
119.08559	34.5
120.74636	4.9
121.10098	24.6
133.10117	23.9
135.11684	17.8
141.65578	5.1
147.07895	4.8
149.13219	7.4
151.11171	22.1
157.45674	6.9
163.11081	5.8
165.12659	5.9
179.14304	57.8
232.66757	6.3
259.20529	8.2
277.21509	31.6
283.89899	6.0
351.25287	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	0.2
53.03891	2.0
54.81726	0.2
56.96484	0.2
57.03367	0.9
60.32101	0.2
69.03348	3.7
70.06503	0.8
71.04902	1.2
72.08058	0.3
73.02825	0.8
74.65048	0.2
81.03339	4.6
84.04415	0.2
84.08076	0.4
85.02824	3.7
86.09641	0.3
89.03843	0.2
91.05373	0.3
92.64009	0.2
97.02811	2.1
98.97498	0.4
99.04403	1.5
109.02813	3.1
110.07114	0.3
116.04913	2.0
116.98571	0.7
118.93268	0.2
120.04701	0.2
121.02851	0.2
127.03879	3.6
134.05989	4.3
134.99626	0.2
144.04411	4.4
146.05962	0.8
147.04330	0.3
148.03906	1.2
148.65044	0.2
153.28612	0.2
162.05464	100.0
163.03769	0.2
163.05826	0.8
172.03896	0.2
177.00703	0.2
177.05490	0.4
182.92545	0.2
188.84138	0.2
190.04951	7.5
208.06018	5.6
210.04204	0.2
282.02820	0.9
301.31342	0.2
334.09128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01353	1.4
53.03883	7.8
53.89764	1.5
54.17142	1.4
54.43974	1.5
54.81973	1.9
55.01805	12.1
55.05439	2.4
56.96498	3.7
57.03347	7.7
59.04927	1.9
61.02837	9.2
61.58863	1.6
67.05409	3.1
68.99737	1.8
69.03342	49.9
69.06979	17.9
69.68792	1.6
70.06512	3.0
71.04904	2.8
71.55826	1.7
72.08082	3.6
73.02811	10.3
79.05415	2.2
81.02991	1.6
81.03336	31.8
81.06963	7.7
83.01274	2.0
84.95936	1.7
85.02824	100.0
87.00748	44.5
87.04396	1.7
91.05384	8.6
93.06959	10.0
95.04882	4.5
95.08525	2.2
97.02806	41.1
98.97501	3.1
99.04383	18.2
105.01806	35.9
105.06961	2.9
107.04879	2.7
107.08542	6.7
109.02822	27.4
111.08015	4.1
115.03909	3.4
116.04926	3.8
116.98531	3.2
117.01810	2.9
117.03320	3.4
117.06936	2.7
119.04905	3.2
119.08541	3.1
120.08047	3.7
121.02807	2.8
121.06396	2.3
126.22778	2.1
127.03861	45.8
129.01801	4.0
131.08530	3.2
134.05943	2.8
134.99586	2.2
135.08119	1.8
136.07513	2.3
137.06000	2.2
144.04382	22.3
145.02829	8.0
145.04951	16.1
146.05980	12.0
147.04387	8.6
148.03867	2.6
151.03856	8.0
152.04150	2.5
153.09123	3.2
159.02827	11.3
159.08116	1.8
162.05463	81.4
165.09096	2.3
169.55173	2.2
177.05440	10.5
177.09074	7.1
186.05617	2.2
190.04921	10.5
195.10115	11.2
208.05872	2.8
228.82756	2.0
231.04974	8.9
281.10150	2.2
299.11176	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	352.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63661	1.4
53.00262	1.8
53.03885	1.5
55.01793	2.1
55.05451	29.9
56.04984	12.0
57.07005	1.6
58.02893	18.7
58.06525	9.8
62.27997	1.5
65.03864	1.8
67.05080	2.7
67.05428	64.7
68.04955	1.8
69.03358	1.5
69.06989	41.6
70.06140	3.0
70.06508	76.9
71.08562	2.0
79.05405	43.5
80.04931	1.6
81.03367	2.1
81.05699	2.2
81.06511	2.2
81.06974	56.8
82.06500	27.3
82.67953	1.4
83.04911	1.7
83.08534	12.1
84.04425	12.8
84.08068	6.0
85.06470	1.7
89.05910	1.9
91.05410	22.6
93.06972	38.4
94.06499	18.7
95.04877	7.5
95.07272	5.7
95.08530	33.9
96.08049	29.9
97.10107	2.1
98.06001	2.6
105.06984	15.7
105.72514	2.0
106.06471	2.5
107.08530	14.1
108.08058	9.5
109.08883	2.5
109.10107	17.1
110.09641	3.6
111.11668	1.7
114.12774	6.8
117.06918	2.1
119.08540	9.7
120.43148	1.8
121.10114	8.4
123.11623	1.5
126.12749	45.5
131.08484	1.5
133.10120	8.8
135.11696	7.2
138.04422	1.4
138.12743	2.7
145.10097	6.1
147.11612	3.0
148.95952	1.9
149.09389	1.5
149.13351	1.8
154.12247	15.0
161.13188	2.2
162.12764	6.8
163.11185	1.7
166.15871	23.2
180.13806	10.4
212.16418	35.3
220.16911	16.0
240.15912	6.6
252.19525	43.0
334.27356	2.7
352.28381	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	352.2843
Annotation	Melophlin E
Peak:m/z	Relative Intensity
50.33620	1.7
55.05435	13.1
57.07012	17.6
58.07328	2.3
58.60094	1.9
67.05128	2.6
67.05432	40.6
69.06968	9.6
70.48685	2.4
71.08535	11.5
72.08855	2.1
79.05385	11.3
81.06979	41.4
83.08524	3.3
85.10078	2.2
89.05951	8.8
90.05477	100.0
91.05396	5.1
93.06964	9.6
95.08535	34.3
95.19293	2.0
103.91568	1.9
104.14465	2.6
105.06969	2.2
107.08471	3.2
109.10096	10.7
109.40930	2.3
119.08514	2.1
121.10100	2.9
127.12496	2.5
135.11609	2.2
137.43533	2.0
149.13275	2.3
151.09592	2.5
163.95064	2.1
168.45255	2.4
312.08664	2.3
352.28189	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	352.2844
Annotation	Melophlin R
Peak:m/z	Relative Intensity
55.01792	1.2
55.05457	8.2
57.03365	0.8
57.07006	2.0
58.83860	0.7
59.41891	0.7
62.06019	100.0
67.05421	7.9
67.99027	0.7
69.06978	8.3
70.06481	1.0
71.08551	6.6
72.08067	3.6
72.45501	0.8
73.20184	0.7
79.05407	4.2
80.66438	0.7
81.06977	11.4
83.08531	1.4
85.06451	1.0
91.05408	1.8
93.06964	7.9
95.04884	5.3
95.08524	9.5
97.06471	1.1
98.05968	4.1
99.08020	1.7
104.52019	0.8
105.06997	3.4
106.00425	0.8
107.08532	3.7
109.06458	18.4
109.10100	3.7
109.17359	0.8
111.80954	0.8
119.08531	3.6
121.10148	1.1
123.08021	1.6
133.10086	3.4
149.13243	0.9
165.12715	31.8
173.01015	0.9
175.14749	1.1
179.14308	1.0
232.05621	0.9
235.16888	1.5
236.20027	1.0
238.52768	0.9
254.21170	1.1
291.23135	13.2
319.43466	0.8
328.82101	0.9
334.27274	4.3
334.30966	4.8
335.25772	4.7
352.28403	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	352.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76913	1.1
53.58629	1.1
55.05445	8.6
57.06999	2.2
67.05424	36.6
69.06995	11.6
71.08537	2.6
72.04435	24.9
72.08070	1.8
79.05426	13.4
81.01827	9.8
81.06975	35.5
83.08560	3.3
90.05483	100.0
91.05389	6.6
92.10891	2.0
93.06964	10.9
94.02618	1.4
95.04855	1.5
95.08538	26.3
97.06453	1.9
105.06968	2.5
107.08525	3.4
109.10097	11.3
110.97763	1.4
121.10104	5.9
123.11628	2.4
131.08499	2.6
133.10074	2.4
140.50740	1.4
145.09940	1.4
161.13235	2.2
188.20432	1.7
194.11479	2.4
199.48828	1.6
245.22614	1.9
250.24936	1.4
263.23685	2.0
292.26184	2.0
334.27356	8.9
352.28265	6.6
352.31723	7.5
369.19119	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	352.357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29270	1.0
57.07001	6.2
69.06983	2.6
86.09628	45.5
156.13824	1.7
260.19305	1.1
352.35654	100.0
353.35968	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	352.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	1.9
54.81479	1.2
55.05456	14.2
55.47461	1.4
57.07016	16.7
61.01517	1.1
67.05421	1.3
69.06994	28.9
71.08552	44.1
81.06976	2.5
83.08543	11.8
85.10123	1.7
86.05998	2.7
88.11205	38.9
91.75083	1.2
92.10873	4.5
93.06974	3.4
95.08532	2.4
97.06480	2.1
97.10110	7.9
100.07605	1.7
109.10077	1.5
111.11674	1.8
114.09174	3.1
114.70458	1.5
135.11624	2.7
149.13419	1.4
149.64806	1.3
156.13808	3.2
170.15303	2.7
184.16962	2.1
198.18556	1.8
232.96402	1.4
262.15738	1.4
352.35696	100.0
353.36093	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	5.6
55.05447	5.9
56.96499	2.7
57.03372	15.7
61.02838	1.1
68.99719	2.1
69.03353	28.4
69.06976	1.4
70.06513	2.1
71.04902	4.8
72.08047	1.3
73.02824	2.9
73.06464	12.3
75.68793	1.1
77.55956	1.2
78.18677	1.1
81.03341	23.3
84.08064	5.0
84.95963	1.5
85.02829	26.7
86.09631	8.4
87.00762	3.0
91.05408	6.8
97.02830	16.7
98.97501	3.1
99.04382	6.0
101.02322	30.2
101.05956	6.9
109.02842	17.7
116.98573	4.7
119.03374	100.0
119.04853	5.4
121.02815	5.0
127.03888	22.8
128.98599	1.6
131.03389	2.1
131.08597	1.1
136.01059	1.2
145.02809	1.6
145.04959	1.3
146.05995	34.4
147.04399	7.3
161.01213	2.0
166.04984	1.1
173.04391	1.4
173.13165	2.0
174.05495	2.3
175.03899	2.9
176.04822	1.1
177.00639	1.9
177.05476	1.7
194.89006	1.1
205.31551	1.2
207.06422	2.4
237.02785	2.1
245.06490	4.9
317.12244	1.8
342.19290	1.3
346.73962	1.4
353.10565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	5.3
53.39753	1.0
55.01783	1.0
55.05446	6.2
56.22405	1.3
56.96490	2.7
57.03369	13.3
61.02856	1.7
65.03891	1.2
68.94297	1.0
68.99716	2.0
69.03346	23.8
70.06499	2.5
71.04907	5.0
73.02834	2.8
73.06471	12.2
74.73928	1.0
79.05367	1.2
81.03333	24.5
84.08067	1.3
84.95959	1.7
85.02827	26.8
86.09638	2.4
87.00746	5.2
87.04423	1.4
91.05391	8.8
95.04927	1.7
97.02818	19.4
98.97495	4.7
99.04395	5.6
101.02313	37.4
101.05956	9.0
109.02834	13.8
116.98608	2.4
119.03367	100.0
119.04873	6.1
121.02808	7.7
122.98412	1.2
125.75685	1.0
127.03870	21.7
129.04243	1.2
130.06509	1.3
131.03287	1.9
134.99631	4.4
143.11682	1.3
145.02881	1.8
145.04948	1.3
146.05986	26.8
146.99597	1.5
147.04401	6.4
149.02336	1.1
162.05432	2.0
163.03802	1.2
163.05814	2.1
175.03934	5.6
177.00604	2.0
177.05385	1.2
191.14342	1.4
207.06506	6.1
237.02692	2.6
245.06511	5.1
317.12247	2.6
353.11029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	0.5
58.64220	0.3
65.03867	3.4
66.04641	0.4
66.16948	0.3
70.33173	0.3
77.03859	0.6
79.05415	4.8
82.86224	0.3
91.05402	100.0
92.05656	0.3
101.98502	0.3
107.00410	2.5
108.01218	8.6
152.06244	0.5
183.03537	18.1
184.04285	4.3
185.05084	9.4
191.11948	0.3
201.04564	0.7
202.05437	0.6
219.05652	1.3
261.08194	17.4
261.10941	0.6
262.08984	11.9
293.07120	2.7
294.07968	16.7
353.14441	98.9
353.22644	7.3
354.14645	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	353.1491
Annotation	Moschamine
Peak:m/z	Relative Intensity
51.68102	0.3
55.53608	0.3
59.98301	0.3
61.69771	0.4
63.66111	0.3
78.04608	0.4
79.05403	0.4
89.03840	12.7
91.05362	1.5
92.10914	0.4
103.05373	0.5
115.05438	0.7
117.03325	43.8
119.04873	0.4
124.05199	0.4
132.08041	0.7
134.03638	3.5
135.04413	3.5
137.05945	0.5
145.02821	100.0
146.03177	2.1
147.04408	0.6
149.05948	16.1
160.07567	9.4
163.03854	0.9
177.05432	93.1
178.05763	2.4
186.05450	0.8
279.03012	0.4
308.06870	0.6
353.14905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1492
Annotation	Moschamine
Peak:m/z	Relative Intensity
53.68119	0.3
62.44704	0.3
65.83354	0.3
68.25867	0.3
78.04604	0.5
89.03838	9.7
89.05822	0.3
91.05400	0.4
98.97498	0.5
103.05382	0.4
106.04114	0.5
117.03320	38.7
118.03687	0.5
121.06502	0.3
123.54245	0.3
124.05190	0.5
130.06491	5.3
132.04431	0.8
132.08052	2.5
134.03613	2.5
135.04390	3.3
145.02818	100.0
146.03195	0.8
146.05971	0.6
149.05951	13.9
159.09140	10.7
160.07558	6.0
163.03860	0.7
175.08620	0.5
177.05429	95.0
177.10120	3.3
178.05760	1.7
186.05472	1.7
203.08203	0.5
238.99236	0.4
310.21729	0.4
325.59741	0.4
335.13696	0.5
353.14880	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	353.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	0.4
66.91967	0.3
82.48167	0.3
82.79414	0.3
83.71358	0.3
89.03845	11.3
91.05399	1.3
92.10880	0.6
103.05379	0.5
106.04118	0.4
107.77520	0.3
117.03330	41.7
125.01423	0.3
130.06490	1.9
132.04347	0.5
132.08051	1.6
134.03615	2.5
135.04419	3.7
137.65546	0.4
141.29402	0.3
145.02827	100.0
146.03145	1.3
149.05959	16.1
158.06049	0.4
159.07948	0.5
159.09142	8.9
160.06235	0.4
160.07545	11.9
163.03833	0.8
177.05438	96.0
177.10190	8.8
178.05757	1.8
186.05525	0.6
203.08154	1.5
213.04942	0.3
230.12105	0.4
245.46777	0.3
353.14850	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	353.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93935	2.1
53.59333	2.4
75.59313	2.6
79.26801	2.5
81.07007	2.8
83.08521	2.9
121.57849	2.8
237.80956	2.7
238.09570	2.8
353.20505	100.0
354.21048	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	353.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08755	0.9
52.79178	0.8
53.39421	0.7
65.68402	1.2
86.60513	1.0
87.85912	1.0
89.30696	0.9
107.68015	0.9
144.08107	1.5
147.89957	0.9
177.05336	1.6
180.76772	1.1
277.60339	1.2
353.22897	100.0
354.23318	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	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11360	1.0
79.05402	1.9
91.05402	52.9
92.05759	1.3
97.42049	1.2
108.01221	6.6
165.63300	1.1
174.57410	1.2
183.03568	6.9
185.05113	2.4
243.14253	1.4
261.08234	6.8
262.09079	8.2
294.08002	7.6
353.11041	1.5
353.14493	43.2
353.22900	100.0
354.14792	7.8
354.23303	5.0
361.12796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2293
Annotation	15-keto-PGE1
Peak:m/z	Relative Intensity
51.61879	0.7
74.97263	0.9
216.70340	1.1
293.14514	1.1
353.22897	100.0
354.23499	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03882	2.6
55.05447	15.9
57.03378	6.9
57.07009	3.0
57.28754	1.3
61.43055	1.6
65.03856	2.3
67.05077	3.4
67.05429	98.5
68.28555	1.5
69.06995	17.9
71.04900	2.1
79.05410	50.6
81.06976	100.0
83.08549	7.7
91.05404	24.2
93.06973	66.4
95.04894	3.2
95.08531	72.0
97.10104	1.8
105.06971	18.4
107.08545	35.6
109.10114	26.0
117.06967	8.0
119.08581	14.8
121.10104	26.2
123.11674	14.0
131.08546	15.3
133.10118	13.8
135.01573	1.7
135.11674	17.2
137.13226	2.4
144.08571	1.7
145.10104	14.7
147.11668	7.1
149.13228	13.8
154.57262	1.8
159.11690	9.4
161.13269	3.3
163.14745	6.8
173.13245	11.7
177.12553	1.6
183.50607	1.6
187.14786	3.7
203.13689	1.5
243.21049	12.5
261.22098	44.9
273.52866	1.7
302.34772	2.0
335.25751	11.4
353.26913	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	20.9
57.03373	2.7
57.07006	3.1
62.37817	1.0
65.03861	1.8
67.05428	100.0
68.05759	1.1
69.06989	17.8
71.04906	2.0
75.04411	1.7
78.59472	1.2
79.05408	56.7
79.42326	1.1
81.06973	98.0
83.08543	7.4
85.31980	1.3
87.78358	1.2
88.32103	1.0
91.05408	27.1
93.06374	2.4
93.06971	71.1
95.04907	5.1
95.08533	72.5
96.09667	1.3
97.06441	2.7
97.10109	2.4
105.06973	19.6
107.08539	40.0
109.06443	1.4
109.10104	29.0
114.01546	1.3
116.98592	1.4
117.06968	10.4
119.08528	17.1
121.10104	29.2
123.08020	2.3
123.11671	11.5
125.68209	1.4
129.06987	1.4
131.08524	23.7
133.10091	14.7
135.11662	25.8
145.10094	14.6
147.11652	10.7
149.13255	16.6
151.11217	1.7
151.14758	1.7
159.11671	13.1
161.13307	7.4
163.14815	7.5
173.13237	10.9
175.14780	1.7
187.14801	6.9
222.81659	1.4
243.21065	13.3
261.22067	49.3
324.06516	1.4
335.25766	5.1
353.26801	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.3
55.01807	2.8
55.05223	1.8
55.05454	26.6
55.35470	1.2
57.03359	3.3
57.07015	9.3
67.05433	39.5
69.03329	2.8
69.06990	35.6
71.04906	5.0
71.08551	32.1
79.05418	29.7
81.06977	63.1
83.04913	3.0
83.08551	10.8
85.06448	1.4
90.05470	9.5
91.05397	13.8
93.06975	42.8
95.04904	16.0
95.08542	44.6
97.06463	14.3
97.10081	3.2
98.59068	1.1
99.08043	11.2
105.06960	16.6
107.04250	1.3
107.08536	29.5
109.06473	46.2
109.10104	13.9
111.08006	2.8
118.26439	1.2
119.08543	14.6
119.99126	1.3
120.37446	1.2
121.10114	12.3
123.08013	8.1
123.11637	7.0
123.21281	1.5
133.10068	7.5
135.08055	1.6
135.11758	3.8
137.09601	6.3
145.10126	3.1
147.11671	7.0
149.13280	5.5
151.11165	1.7
153.12772	2.2
159.11534	1.3
161.13214	2.9
163.14772	2.0
163.70894	1.2
165.12721	61.1
166.13063	1.5
173.13409	1.4
175.14874	5.0
179.14288	3.0
193.15862	6.7
235.16895	11.6
249.22435	1.3
291.23132	99.1
292.23447	3.1
309.24008	1.4
317.21497	1.6
335.25861	1.8
353.26807	100.0
354.27225	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45217	1.3
53.03883	2.3
54.54812	1.5
55.05438	12.5
56.51558	2.1
57.03353	2.5
57.06997	9.6
62.56469	1.7
65.03876	2.0
67.05081	4.1
67.05423	100.0
69.06983	16.5
71.04890	1.8
71.08567	2.0
79.05407	54.7
81.06972	84.1
83.08518	7.2
85.06461	2.6
91.05397	25.1
93.06967	63.1
95.04896	3.9
95.07972	2.7
95.08532	65.9
97.06441	3.5
97.10085	3.4
99.08024	2.6
104.22137	2.2
105.06990	16.3
107.08529	38.2
109.10087	21.1
115.20358	2.2
117.07000	3.4
119.08514	11.9
121.10076	26.6
123.08011	4.2
123.11588	3.4
131.08531	14.3
133.10048	3.2
135.11650	15.6
145.10088	14.8
147.11667	3.8
149.13257	13.4
159.11633	4.6
161.13200	3.1
163.14816	4.0
173.13228	8.6
176.09436	1.9
187.14775	3.4
243.20999	14.0
261.22089	33.6
269.43637	1.9
279.23126	2.8
335.25467	4.4
353.20111	2.2
368.79825	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	26.1
56.04982	2.7
56.96505	3.9
57.03362	3.3
57.07007	5.9
65.03855	3.2
67.05080	3.2
67.05429	96.8
69.06990	28.2
77.33612	2.2
79.05413	72.9
81.06975	100.0
83.04839	2.7
83.08540	13.2
91.05405	35.8
92.10251	3.5
93.06969	80.8
95.04890	5.7
95.08537	75.3
97.06452	3.7
97.10102	5.3
105.06978	30.5
107.08564	35.5
109.06457	4.3
109.10107	30.0
117.06942	10.8
119.08537	22.8
121.10091	26.3
123.11675	4.1
126.56109	2.7
128.98560	3.4
131.08546	25.3
133.10117	4.3
135.11665	26.4
136.11139	2.4
137.09573	3.5
145.10109	13.2
146.99664	3.9
147.11653	4.8
149.13235	13.7
154.12254	28.3
159.11655	10.5
161.13197	3.4
163.14815	4.8
168.86584	2.4
171.14876	5.4
173.13234	12.4
175.14885	3.3
187.14807	3.6
189.04329	2.7
215.02214	3.0
235.35333	2.6
243.21034	16.8
247.08525	2.9
257.06927	6.0
258.07608	10.9
261.22061	47.7
275.07822	3.6
276.08707	4.9
277.21674	4.1
295.22537	4.3
300.35876	2.4
309.68292	2.6
333.17456	3.9
335.25696	2.6
351.18320	12.2
353.26782	5.7
354.26492	4.6
369.19449	34.3
370.19836	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23285	2.4
54.81398	2.4
55.05447	19.9
55.90014	2.1
57.03389	4.0
57.07006	5.3
65.60941	2.5
67.05425	100.0
67.05781	5.1
69.06984	14.1
69.22897	2.4
71.08543	6.2
79.05416	56.1
81.06975	94.5
91.05396	35.4
91.69182	2.6
92.10268	6.2
93.06435	5.1
93.06973	79.3
93.07523	5.6
93.54124	2.7
95.04899	5.6
95.08531	66.7
100.98830	2.9
105.06980	23.9
107.08558	40.3
109.10126	21.1
116.23952	3.6
117.06966	6.7
119.08528	7.0
121.10069	32.0
123.11694	4.7
131.08481	20.7
133.10109	11.7
135.11635	14.4
145.10072	11.7
145.73286	3.0
147.11678	5.9
149.13231	14.1
159.11661	5.4
161.13219	6.1
163.14719	3.3
173.13156	3.9
194.17804	2.8
201.16719	2.9
212.32257	2.6
223.36621	2.6
240.04764	3.4
241.07495	2.8
243.21130	20.3
261.22101	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	0.9
53.03882	2.7
55.01817	1.0
55.05451	18.1
57.03376	7.0
57.07002	4.0
65.03855	2.8
67.05429	100.0
68.05763	0.8
69.06989	15.3
71.04890	1.2
71.08546	0.8
71.83460	0.5
72.08055	2.6
72.25790	0.5
76.00597	0.5
79.05408	45.7
81.06976	91.9
83.04877	0.8
83.08541	6.4
85.06460	2.5
86.96803	0.7
91.05409	25.6
92.10283	0.8
92.62764	0.7
93.06973	59.2
95.04890	4.6
95.08533	68.8
97.06456	3.0
97.10078	3.3
105.06981	20.4
107.08540	33.5
109.06446	2.5
109.09397	1.3
109.10101	26.0
111.07973	0.8
112.13625	0.6
114.36259	0.7
117.06970	9.2
119.08528	12.9
121.10096	24.3
123.07975	1.5
123.11649	10.7
131.08542	18.3
133.10110	11.3
135.10651	0.7
135.11661	16.8
137.09642	0.7
137.13237	2.8
143.08514	0.6
145.10115	9.4
147.11676	6.5
149.13226	10.8
159.11632	7.7
161.13239	4.6
163.14790	5.8
165.12788	0.7
165.27481	0.6
168.93819	0.7
173.13219	8.1
175.14742	1.1
177.16309	1.3
179.14223	0.8
187.14764	4.2
189.16518	0.7
201.16373	0.9
215.12910	0.6
228.17537	0.6
233.22626	1.2
234.90376	0.7
243.21048	7.7
261.22092	26.3
279.23181	1.4
335.25684	7.2
347.21844	0.6
353.26779	8.9
353.31168	1.1
353.35361	0.8
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
53.03873	2.4
55.01818	1.9
55.05447	24.0
55.70301	1.6
57.03372	4.5
57.07013	4.4
67.05077	3.8
67.05428	100.0
67.05785	4.2
69.06976	16.9
69.63637	2.0
71.08528	1.9
72.04430	14.7
74.71662	1.6
79.05414	42.6
81.06973	86.6
82.07290	3.5
83.08519	7.8
90.05482	47.8
91.05373	19.7
91.05847	2.0
93.06969	61.1
95.04896	2.7
95.08530	66.3
97.06441	3.7
97.10136	2.1
97.66721	1.9
105.06967	16.7
107.08534	35.2
109.10107	23.2
117.06950	7.2
119.08540	13.9
121.10084	27.1
123.11637	10.6
131.08546	18.7
133.10098	11.6
135.11668	12.4
137.13213	2.4
145.10078	9.5
145.13025	2.2
147.11703	4.1
149.13237	10.7
150.91530	2.0
159.11633	3.4
161.13229	3.2
163.14775	8.0
173.13211	7.8
177.16275	3.5
183.29709	2.1
187.14737	2.7
243.20978	10.1
261.22083	39.2
291.98792	2.0
335.28009	2.0
353.26709	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.91910	2.2
53.03900	2.9
55.05458	23.6
57.03370	5.8
57.07016	20.9
59.06060	38.7
60.05585	5.2
67.05429	99.2
69.06992	14.1
71.08549	6.0
79.05412	52.8
81.06980	100.0
83.08536	5.6
84.73122	2.2
84.82362	2.2
85.02840	5.0
85.10083	19.1
89.57408	2.3
91.05413	27.0
93.06973	68.7
95.08536	75.9
97.06455	5.4
99.08060	3.4
105.06989	22.9
107.08544	35.7
109.06497	2.7
109.10098	24.0
112.99504	2.3
113.09556	8.4
117.06960	4.6
119.08538	15.2
121.10114	29.8
123.11652	13.4
125.58756	3.0
131.08533	20.5
132.22937	2.4
133.10091	12.7
135.11671	24.3
145.10124	12.5
147.11678	10.8
149.13266	15.0
159.11694	12.1
161.13272	4.1
163.14847	4.4
173.13194	5.3
175.11169	4.2
177.16472	3.4
187.14795	3.5
243.21068	14.1
261.22031	41.1
279.23224	11.7
335.25714	4.5
353.26819	32.4
377.76187	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	354.1182
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03879	0.5
54.26429	0.2
57.03364	0.3
64.33491	0.2
69.03343	0.9
69.06989	0.2
71.04902	0.4
72.35402	0.2
81.03339	4.7
84.04424	0.3
85.02832	1.2
89.38836	0.2
99.04388	0.5
103.47981	0.2
109.02815	2.0
117.25587	0.2
118.06487	0.8
127.03986	0.2
128.04924	3.6
132.04442	2.6
133.06662	0.2
140.38094	0.2
145.09032	0.2
146.05988	100.0
147.06354	0.4
160.07545	0.3
162.05453	3.3
174.05479	7.3
174.06892	0.4
188.07037	1.3
192.06529	4.5
208.05977	0.2
288.92703	0.3
318.09650	2.2
336.10703	2.4
377.52011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	6.6
55.01812	9.0
55.05434	0.9
55.73183	0.8
56.96504	0.8
57.03370	10.3
61.02851	7.6
67.05461	0.9
68.99707	2.2
69.03349	45.6
69.06986	1.3
71.04907	5.0
72.08052	3.4
73.02843	7.0
73.03175	0.8
81.03331	26.1
83.01284	1.0
84.04421	1.0
85.02824	100.0
87.00751	48.9
87.01294	1.6
87.04383	1.5
91.05411	2.2
97.02820	30.7
98.97531	2.0
99.04385	16.5
101.02267	0.8
105.01804	47.8
109.02156	1.5
109.02831	25.5
110.07062	0.9
116.98569	1.3
117.01824	1.5
119.04890	5.5
121.70826	0.8
123.02792	1.0
127.03876	49.9
129.01781	4.0
136.07542	4.4
145.04916	13.8
146.05984	10.1
147.04381	13.7
148.04720	2.2
159.02858	10.4
186.27222	0.9
189.03986	1.2
204.10155	0.9
215.31477	0.9
231.04965	14.0
248.83336	1.0
249.06056	6.2
250.91449	0.8
275.04269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	5.5
55.05226	3.9
55.05456	49.3
56.04730	4.7
56.04977	100.0
57.04144	3.9
57.87994	4.0
60.01860	3.9
60.04457	21.7
66.01996	4.4
66.34078	4.4
67.05130	4.5
67.05434	76.1
69.06977	27.1
69.66856	4.0
70.09804	4.1
72.12022	4.1
79.05399	28.5
81.03320	16.8
81.06982	55.7
83.04846	4.3
83.08526	21.7
91.05371	4.7
93.06955	21.7
95.04854	6.5
95.08530	24.2
97.10080	29.1
105.06969	6.8
107.08532	20.4
109.06495	5.7
109.10086	22.5
119.08488	7.0
125.09592	18.9
126.07178	4.1
126.12744	93.0
131.08562	5.3
133.10152	4.8
140.14308	56.0
165.12685	5.1
168.13795	18.0
182.15338	7.8
189.11162	5.5
277.21512	22.1
294.24100	19.4
354.26431	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	354.2636
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
52.83654	1.7
53.40079	1.9
54.38765	1.8
55.01804	3.0
55.05225	2.1
55.05455	28.8
56.04979	3.7
57.03362	2.5
57.07017	3.3
60.04441	5.0
65.05125	1.8
67.05425	30.4
68.04918	3.1
69.06987	16.4
69.07346	1.7
70.06522	3.4
71.08530	12.9
71.40778	1.9
71.87720	1.9
79.05413	23.9
80.04913	4.9
81.06973	32.2
82.06490	4.1
83.04912	3.3
83.08543	8.8
91.05413	16.6
91.12554	1.8
93.06979	33.9
94.06487	3.7
95.04904	4.1
95.08533	15.6
96.08022	2.1
97.10099	14.9
98.97507	2.4
99.08016	3.0
100.11190	10.6
105.06954	11.6
107.08570	15.6
108.08059	4.7
109.10096	12.5
116.98579	2.4
119.08522	10.7
121.10098	11.4
125.09582	4.3
126.12765	4.3
133.10092	4.0
135.11655	3.9
138.12776	2.9
147.11613	3.2
149.13242	3.7
150.12769	4.6
151.11142	2.5
152.14355	3.3
173.11664	2.3
177.12717	15.0
186.19872	2.0
206.15363	2.6
222.14871	3.1
237.04555	2.4
246.22249	2.6
254.80161	2.1
258.12317	2.0
259.20609	3.7
274.21646	17.2
276.23169	30.1
277.21552	20.1
292.22635	10.6
294.24222	100.0
303.60489	2.1
318.24072	3.8
336.25229	12.0
354.22751	4.4
354.26407	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78905	1.3
53.27490	1.0
55.01802	2.4
55.05451	22.3
56.04970	6.5
57.03364	1.4
60.04445	9.7
62.06021	1.5
63.48986	1.3
67.05424	28.7
68.04948	2.2
69.06976	8.6
70.06500	3.1
71.08536	1.8
79.05408	21.7
80.04916	7.6
81.06972	25.8
82.06485	7.3
83.04906	1.8
83.08537	11.0
84.08076	1.6
91.05390	9.1
93.06969	30.1
94.06497	7.1
95.04877	6.7
95.08553	13.6
96.08064	2.7
97.10096	11.6
101.83588	1.3
103.25605	1.5
105.06966	12.0
107.08536	19.8
108.08060	2.6
109.10110	7.8
116.98590	2.0
117.06956	1.8
119.04890	2.5
119.08539	6.0
121.10081	7.0
123.11642	2.1
124.11185	1.6
125.09581	5.9
126.12756	5.4
133.10052	1.6
134.99667	2.3
135.11641	3.1
138.12733	6.4
140.14375	2.2
143.08618	1.8
147.04344	2.7
147.11653	4.7
149.13249	2.2
150.12711	3.4
151.11153	1.9
152.14311	7.2
161.13179	2.1
163.13547	3.0
164.14250	2.0
174.12488	1.7
189.11119	2.5
210.14819	1.4
246.22118	5.7
248.23853	1.6
259.20483	7.2
274.21567	17.3
276.23141	33.9
277.21545	17.3
279.73831	1.5
292.22598	13.6
294.24203	100.0
318.24313	2.1
336.25369	7.9
354.22961	14.0
354.26685	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60671	0.7
53.03895	0.8
54.57080	0.7
54.81237	0.9
55.05449	9.2
57.03354	2.0
57.06998	4.0
57.74966	0.8
60.05571	5.0
62.07323	0.9
63.10023	0.8
66.34497	0.8
67.05424	10.2
69.06975	6.7
71.08548	22.2
72.04430	23.2
73.24072	0.8
76.81837	1.1
79.05417	7.6
81.06975	18.0
83.08537	1.4
85.02816	8.0
91.05415	2.2
93.06966	11.5
95.08537	11.5
97.06438	2.0
99.08014	11.7
105.06950	5.3
107.08524	6.8
109.06471	4.9
109.10107	4.2
111.99852	1.1
114.09134	1.6
119.08511	1.5
121.10107	2.4
133.10086	2.3
137.09532	1.6
147.11703	2.1
151.11211	1.5
153.12711	1.2
165.12712	10.1
175.11156	1.4
182.15565	1.2
193.15845	1.2
209.33278	1.2
221.11758	2.0
235.16786	1.3
238.21524	11.9
291.23126	12.9
309.24051	4.1
310.14032	1.1
336.28885	100.0
337.29053	1.2
354.26624	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60600	0.9
54.81797	1.2
55.05457	18.4
56.04976	6.3
57.03373	1.2
57.07000	2.2
59.26497	1.1
67.05434	40.8
69.06996	19.4
70.06264	0.9
70.06527	14.1
74.05998	100.0
79.05416	7.7
81.06973	29.6
83.08544	4.8
83.44250	1.0
88.07557	18.4
91.05402	5.7
92.07049	89.6
93.06966	5.9
95.08543	17.6
102.09122	4.5
105.06952	1.4
106.08620	7.5
107.08530	1.5
109.10104	4.6
119.08502	1.5
128.07050	5.9
163.38489	1.1
192.58066	1.1
262.65060	1.1
263.52792	1.2
264.84113	1.3
336.28955	44.9
336.32645	5.3
354.29858	12.3
354.33649	78.9
373.16730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85051	10.8
55.05437	16.0
67.05428	49.9
69.06980	28.4
69.96355	10.7
70.06509	100.0
81.06979	19.2
84.04420	14.9
95.08533	23.6
96.08058	13.1
96.54179	11.2
111.80163	11.4
168.17436	30.1
180.13937	11.9
212.16463	73.0
258.26370	14.2
260.61514	12.8
354.29816	24.9
355.28137	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	1.0
54.12910	0.6
54.44312	0.7
55.05454	20.2
56.11328	0.6
56.30032	0.6
57.03363	1.0
57.07006	5.9
61.30965	0.7
67.05428	19.9
68.05750	0.7
69.06987	24.3
70.07299	1.0
71.04899	0.9
71.08547	7.4
74.09621	3.5
79.05407	11.0
81.06977	20.1
81.88195	0.9
82.07307	1.8
83.08537	12.9
84.49210	0.7
85.06454	1.6
85.10092	0.9
90.05482	100.0
91.05396	3.2
93.06971	14.3
94.07280	1.3
95.04898	1.9
95.08538	18.2
96.08839	2.0
97.06461	4.0
97.10086	7.3
97.13303	1.0
99.07980	1.1
105.06981	1.6
106.07293	0.9
107.08530	7.9
108.08829	1.4
109.06487	6.1
109.10085	6.0
110.06864	0.8
110.15105	0.8
111.08025	1.3
111.11649	1.1
119.08574	1.1
121.10081	10.2
123.11627	1.5
127.11060	0.8
135.11678	4.3
149.13245	3.3
161.79681	0.9
165.12712	7.9
166.13034	3.6
236.17284	1.0
247.24181	1.9
265.25198	3.8
291.23105	4.9
292.23419	14.8
353.26889	6.2
354.26624	14.6
354.30710	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	1.1
55.69572	0.7
57.07009	10.9
57.91441	0.6
68.40105	0.7
69.06962	1.1
71.04892	0.8
71.08549	6.9
74.05979	3.9
78.61199	0.6
83.08524	1.1
83.47824	0.7
88.07551	15.8
88.11195	1.4
94.56535	0.7
94.61933	0.7
102.09117	9.6
107.56360	0.7
116.10664	1.5
132.12386	0.7
144.13814	1.3
157.41574	0.7
284.29410	36.3
285.29779	1.0
301.83667	0.8
354.37238	100.0
355.37708	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	355.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	1.6
56.96507	0.7
65.03846	1.8
67.05407	1.0
74.39519	0.5
79.05405	2.5
81.06974	2.1
83.08531	0.5
91.05405	23.9
92.52264	0.4
93.06978	1.9
95.04922	0.6
95.08544	0.6
97.10114	0.4
98.97519	0.6
105.06963	0.6
105.51266	0.5
107.04903	5.0
110.83646	0.5
116.98597	2.0
119.04897	57.7
121.10094	0.4
129.07033	0.5
134.99623	2.1
145.02811	0.8
145.76695	0.6
147.04388	100.0
148.04727	2.5
154.89822	0.5
165.06851	0.5
166.34377	0.5
177.05455	1.0
177.12852	0.5
181.06424	0.5
207.08099	1.1
208.08801	1.1
211.07506	1.7
217.08684	0.5
218.07274	0.9
219.07967	2.2
230.88374	0.4
233.09601	0.8
235.07487	0.6
236.08368	0.7
236.98705	0.7
247.07529	0.9
251.10667	0.8
254.99458	0.8
271.09540	1.7
292.22614	0.6
294.24280	3.0
295.24487	2.0
347.97440	0.4
354.26462	1.7
355.18399	0.5
355.24365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80398	0.1
60.19181	0.1
65.95345	0.1
68.63146	0.1
81.03329	1.3
85.02832	0.2
99.04390	0.2
103.05412	0.5
109.02824	0.8
130.06488	100.0
130.43770	0.1
131.06839	1.1
148.86888	0.1
163.03830	1.3
176.07018	2.0
320.11172	0.9
338.12228	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	355.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03864	0.1
57.03354	0.2
60.99433	0.1
67.68274	0.1
69.03345	0.2
70.77476	0.1
71.29433	0.1
81.03336	1.7
85.02821	0.3
91.05398	0.2
92.10249	0.4
94.03979	0.2
99.04417	0.3
103.05374	0.2
105.07009	0.2
108.77317	0.2
109.02827	1.0
112.78360	0.2
130.06491	100.0
131.06822	1.5
133.10023	0.3
134.17847	0.2
146.05939	1.3
147.06322	0.7
176.07033	2.0
285.01697	0.2
320.11343	1.3
330.24750	0.2
338.12277	1.9
351.42160	0.2
355.45737	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01054	0.1
51.26917	0.1
53.03886	0.4
56.96499	0.2
57.03342	0.6
65.28509	0.1
69.03336	0.7
69.06977	0.2
71.04872	0.2
72.08071	0.2
81.03331	7.0
84.69936	0.2
85.02824	2.1
89.03790	0.2
91.05399	1.1
95.04881	0.2
98.97514	0.4
99.04407	0.2
103.05382	0.3
105.06962	0.8
109.02827	2.0
116.98545	0.2
119.04893	0.2
119.38112	0.2
127.03873	0.2
130.06488	100.0
131.06828	0.9
131.08510	0.4
133.10072	1.0
135.04390	0.3
136.02986	0.1
136.06134	2.0
145.02814	0.3
146.05969	0.7
147.04408	0.3
147.06284	0.3
147.11754	0.2
148.06142	0.3
163.03824	1.2
163.48219	0.2
173.46373	0.2
176.07027	11.7
217.90590	0.2
222.13391	2.8
223.13753	1.5
237.02800	0.2
238.93115	0.2
320.11176	0.9
338.12256	3.6
355.18024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.4
56.96492	0.4
57.03363	0.4
64.33701	0.2
67.05424	0.2
69.03348	3.2
70.06503	1.0
71.04892	0.3
77.03812	0.3
79.05413	0.4
79.21788	0.2
81.03336	8.2
81.06969	0.3
84.04404	0.3
84.08048	0.5
85.02815	2.3
86.09617	2.9
89.80455	0.2
90.04525	0.2
91.05400	2.5
92.10866	0.3
93.06975	0.5
95.04855	0.3
95.08553	0.4
97.02810	1.3
99.04392	0.4
103.05428	0.5
105.06987	2.4
107.04881	0.4
109.02838	4.0
109.06493	0.3
116.98553	0.2
117.06934	0.3
119.04871	0.4
119.08515	0.5
127.03880	1.1
130.06493	100.0
131.06833	1.6
131.08525	1.1
131.10661	0.3
132.04362	0.2
132.10196	1.0
133.02866	0.5
133.10081	3.0
134.99596	0.5
137.26823	0.3
146.05992	6.0
147.04439	2.1
147.06334	4.6
147.11664	0.4
148.04729	0.3
151.03882	0.3
174.05476	0.9
175.05885	0.4
175.11232	0.3
176.07011	5.3
192.06525	0.3
192.10161	0.5
193.04967	1.2
193.06700	0.3
200.64514	0.2
278.01251	0.2
320.11362	0.5
338.08490	0.4
338.12250	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	355.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	0.7
55.01803	0.6
55.60531	0.3
56.04968	1.8
56.14525	0.4
56.96500	0.7
57.03366	2.1
61.01076	0.6
61.02842	2.0
66.33984	0.3
68.67225	0.4
69.03357	4.0
70.65923	0.4
71.01266	0.5
72.08047	0.6
73.02829	2.0
79.05393	1.0
81.03336	2.9
81.06963	0.5
84.08062	0.8
85.02341	0.7
85.02823	13.5
86.09616	0.6
91.05401	1.9
94.57391	0.5
95.04897	2.3
95.08526	0.5
97.02827	6.2
98.06018	0.5
98.97525	0.6
104.05274	0.8
105.03336	33.7
105.06948	0.7
106.03640	0.4
107.04890	0.6
109.02858	0.8
116.98560	0.7
119.04916	1.0
123.04427	2.0
124.03909	0.8
127.03889	1.8
127.07479	0.5
130.06496	100.0
131.06889	0.6
133.10124	0.8
134.05986	0.5
136.07544	2.0
143.07297	0.7
144.08080	5.1
146.06157	0.6
147.04401	2.5
151.03897	0.5
170.05876	0.5
172.07549	9.5
176.07028	35.0
177.05457	0.6
179.06987	4.2
181.04948	1.8
182.05263	0.5
188.07033	2.1
197.08096	2.2
218.08043	4.9
242.08090	0.6
259.67914	0.5
261.15149	0.4
280.57104	0.4
302.10123	0.7
316.25415	0.4
320.11191	1.6
337.09018	1.0
338.12326	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03859	1.9
54.81349	1.8
55.01803	2.0
55.05450	13.1
56.96493	2.8
57.03370	2.1
64.33006	2.0
66.20374	1.6
67.05423	9.1
69.03338	11.5
69.06978	3.9
79.05418	11.2
81.03326	11.0
81.06970	5.0
83.04908	3.5
83.29381	2.3
85.02824	13.6
91.05408	61.9
91.05959	3.9
92.10231	7.5
93.06969	10.2
95.04893	10.3
95.24283	2.1
97.02841	8.0
98.09572	2.0
98.97435	2.2
100.11174	8.1
105.06271	2.8
105.06972	72.3
109.02834	2.7
109.06503	2.7
114.09062	2.9
117.06959	4.0
119.04910	8.5
119.08534	11.2
121.06409	7.2
129.06958	3.0
130.06471	11.2
131.08534	39.3
133.06430	4.6
133.10092	100.0
136.07549	29.8
143.08565	2.0
145.02837	4.0
145.10088	4.6
146.05986	51.4
147.04376	11.9
147.06302	2.7
147.08022	2.4
147.11629	17.8
157.10065	2.7
175.11134	18.4
193.12175	13.6
220.66420	2.5
237.02750	3.5
309.12143	4.9
319.15259	2.2
337.16141	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	355.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.3
53.65782	0.5
55.01799	1.0
55.05457	6.1
57.03364	1.2
64.11977	0.6
67.05423	6.4
69.03342	7.6
69.06966	2.8
71.04896	1.3
73.02826	0.8
79.05413	13.0
81.03340	10.2
81.06972	6.2
83.04881	3.9
85.02833	12.0
91.05405	58.9
93.06985	7.8
95.04887	7.8
95.08490	0.6
97.02824	5.7
97.06475	1.2
99.04371	1.4
103.05373	1.1
105.06975	71.8
107.04894	3.4
107.08529	4.1
109.02823	2.5
109.06446	4.1
117.06973	5.0
119.04903	0.9
119.08546	13.1
121.06451	3.4
121.10158	0.7
125.05955	1.5
127.03864	3.7
129.06981	4.5
131.07516	0.8
131.08530	44.5
133.06467	6.3
133.10097	100.0
134.10394	1.4
135.08028	1.0
137.05922	2.9
141.05504	0.6
141.06956	1.1
142.07741	1.4
143.08560	4.4
145.06454	2.7
145.10089	7.6
147.04344	0.9
147.08032	3.5
147.11665	16.3
149.09570	2.5
151.07472	1.5
151.11108	1.2
155.08449	1.0
157.10085	4.9
159.07985	0.7
159.11678	1.1
163.07513	1.3
163.11108	0.8
169.10043	2.8
171.11577	1.1
173.09563	1.4
175.11140	18.8
181.10059	0.7
187.11188	1.0
191.10701	1.2
193.12170	8.6
199.11113	2.4
217.12210	2.5
241.12115	0.8
273.14716	0.8
282.60779	0.8
283.13309	0.7
301.14294	1.2
319.15192	4.0
337.16193	3.2
355.17160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2266
Annotation	Guayulin B
Peak:m/z	Relative Intensity
53.03891	0.5
53.53033	0.5
54.81454	0.6
55.05463	1.2
57.07015	12.4
62.23242	0.6
62.23624	0.6
65.03864	0.5
67.05418	1.1
70.06520	0.6
73.03183	0.6
79.05423	1.3
79.81693	0.5
88.07558	1.2
91.05407	10.6
92.10852	0.8
93.06979	5.5
95.04886	1.0
95.08537	1.3
105.06961	6.4
107.04884	0.6
107.08531	2.4
117.06963	3.6
119.04906	5.4
119.08535	23.3
121.06458	30.9
121.10109	1.1
123.07996	2.7
129.06995	1.1
130.07625	0.7
133.10106	6.5
134.10875	2.2
135.04387	5.3
135.08026	8.0
135.11702	2.3
137.09584	22.0
145.10054	0.9
147.04378	2.3
147.08038	4.5
147.09183	2.1
149.05920	2.6
149.09605	3.3
149.13242	6.9
158.61815	0.6
159.11668	1.1
161.09575	8.1
163.11174	1.2
165.05440	7.0
175.07509	39.5
176.07848	0.8
177.12711	93.5
178.13109	2.4
179.10661	1.0
191.10631	100.0
192.11002	2.1
299.16412	11.5
300.67688	0.6
354.33490	1.4
355.22583	17.7
355.33743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17841	1.7
55.05452	28.9
57.03365	10.4
57.07005	12.1
60.73049	1.7
61.91685	2.1
62.01805	2.0
62.25265	2.1
67.05078	3.9
67.05429	98.2
69.06985	31.5
69.98620	1.8
71.08546	3.9
79.05390	22.0
81.06509	4.6
81.06975	100.0
82.07320	2.2
83.08516	21.0
86.22487	1.8
86.56545	1.9
91.05405	20.9
92.10894	3.0
92.64671	2.2
93.06980	28.7
95.08532	83.2
97.06463	2.5
97.10083	11.9
100.65907	2.3
105.06958	12.5
107.08530	12.9
109.10111	37.4
111.07970	3.3
113.09635	2.4
119.08526	14.0
121.10093	13.7
123.11636	22.2
133.10091	9.2
135.11652	8.3
137.13234	3.5
147.11661	3.7
149.13164	4.5
150.15405	2.3
151.14758	2.6
161.13152	7.3
163.14749	3.2
175.14777	4.7
245.22615	19.3
263.23517	20.3
298.57684	2.8
309.24527	2.4
337.27341	17.1
355.28125	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
52.69512	1.4
53.03879	1.5
55.05458	21.9
57.03368	6.8
57.07010	12.5
65.03876	1.6
67.05426	99.2
69.06989	34.7
71.08555	3.7
79.05408	29.5
81.06976	100.0
83.08538	18.5
91.05403	18.7
93.06976	35.5
95.08531	88.4
97.06449	8.0
97.10101	8.7
105.06964	13.6
107.08540	17.7
109.10110	37.0
119.08544	12.2
121.10107	16.2
123.11655	12.3
133.10124	11.9
135.11682	7.6
137.13251	3.0
147.11652	8.4
149.13261	8.5
151.14801	4.4
161.13269	4.1
163.14761	8.2
175.14783	8.5
179.41869	1.7
245.22618	22.4
263.23669	26.9
337.27255	17.7
355.28198	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	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82008	2.7
55.05447	35.2
57.03353	3.8
57.06994	15.4
65.15514	2.4
67.05426	100.0
69.06981	29.7
74.70884	2.8
79.05406	30.7
81.06972	95.6
83.04922	2.4
83.08520	18.0
91.05397	23.0
93.06969	34.3
95.08527	87.0
96.08918	2.9
97.06451	6.0
97.10084	6.2
103.38416	2.4
105.06964	14.9
107.08518	15.2
109.07512	2.8
109.10081	40.5
109.12418	2.4
111.59321	2.4
119.08516	17.6
121.10084	15.1
123.11648	12.5
127.38393	2.7
133.10068	11.5
135.11658	12.6
137.13222	5.5
161.13246	4.7
175.14864	4.6
192.76826	2.8
230.95735	2.6
245.22588	25.7
263.23654	27.4
337.27289	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.02266	1.3
53.81473	1.3
55.05449	36.3
57.03375	11.9
57.07016	15.4
57.08007	1.4
67.05427	99.9
69.06653	2.2
69.06990	36.0
71.04874	1.5
71.08543	3.2
79.05411	26.8
81.06975	100.0
82.28460	1.6
83.00541	1.5
83.04865	1.8
83.08542	29.0
85.06466	2.1
91.05412	22.1
93.06971	30.8
95.04860	3.0
95.08535	86.7
97.06439	7.2
97.10091	11.2
99.08008	2.1
100.20071	1.5
104.32803	1.6
105.06975	13.5
107.08538	19.3
109.10113	37.1
111.08038	1.8
119.08538	14.7
121.10092	20.0
123.11654	12.5
133.10089	12.7
135.11661	8.7
137.13197	3.5
147.11646	9.5
149.13216	3.1
161.13231	6.5
163.14767	3.2
173.94733	1.7
175.14764	3.6
179.17799	1.9
184.30110	1.6
189.16319	2.1
219.99507	1.7
245.22554	15.1
263.23679	22.4
337.27383	19.0
355.28317	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.2
55.01804	1.4
55.05454	30.3
57.03366	7.6
57.07015	12.2
60.00498	1.2
63.65434	1.3
65.03887	1.5
67.05429	95.9
68.05784	1.5
69.06990	33.6
71.08554	3.7
76.55979	1.7
78.13702	1.5
79.05406	27.9
81.06975	100.0
83.08532	21.9
85.06455	1.9
91.05398	22.5
93.06979	31.1
95.04888	2.0
95.08532	80.5
97.06459	8.7
97.10091	11.1
105.06965	18.0
107.08542	18.4
109.06487	1.5
109.10110	33.7
111.98984	1.7
119.08545	15.3
121.10108	16.5
123.08010	1.8
123.11667	12.5
133.10063	17.1
135.11670	8.4
137.13216	2.2
147.11754	10.9
149.13194	6.0
151.14835	2.3
161.13214	8.9
163.14809	3.8
165.16403	2.4
175.14824	6.2
189.16293	1.9
196.15793	1.6
220.00813	1.4
226.35316	1.5
245.22569	19.3
263.23639	24.2
297.01425	1.7
337.01068	1.5
337.27258	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05215	2.2
55.05448	29.8
57.03372	2.3
57.07010	12.9
67.05427	89.4
69.06981	24.8
71.08521	2.4
72.86138	1.6
79.05404	25.7
81.06975	100.0
83.08533	15.6
85.06479	2.4
85.10105	2.1
91.04917	1.9
91.05408	20.5
92.64182	1.9
93.06967	27.1
95.08527	75.7
97.06441	6.8
97.10075	8.8
99.08012	1.8
105.06948	13.4
107.08520	15.5
109.10099	32.4
119.08525	14.0
121.10104	20.6
123.11629	11.9
133.10103	16.0
135.11623	6.9
147.11644	7.2
149.13228	6.9
151.14810	3.4
161.13202	9.2
163.14760	2.6
164.11023	1.6
165.16190	2.5
171.15112	1.5
175.14761	2.8
179.17929	2.3
184.07347	1.8
189.16278	1.8
235.33893	1.5
245.22569	20.1
263.23599	22.3
263.26099	2.2
337.27399	16.4
357.18353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50116	1.3
53.00239	2.5
53.03876	1.5
54.71820	1.5
55.05191	2.1
55.05451	45.1
57.03372	16.7
57.07016	47.3
65.03879	1.6
67.05430	90.7
69.06990	45.9
70.06501	4.2
71.08551	38.7
78.25230	1.9
79.05408	24.2
81.06978	100.0
81.07452	4.2
81.20646	1.7
82.07330	1.7
83.04883	2.5
83.08546	23.6
85.10100	11.7
88.07574	6.3
88.59161	1.5
91.05414	19.1
92.10286	2.7
93.06976	26.7
95.08537	88.6
97.06487	3.6
97.10103	15.0
99.07990	2.8
105.06963	10.9
107.08550	11.7
109.10109	33.6
109.89882	1.6
111.11650	4.1
119.08556	14.1
121.10103	10.5
123.07997	2.0
123.11682	13.4
133.10109	10.9
135.11670	2.7
137.09570	2.3
137.13210	3.3
137.52547	1.8
141.12764	2.1
147.11687	7.3
155.14317	2.6
161.13229	6.8
163.14833	1.9
166.06601	2.1
175.14792	2.7
190.84088	1.8
204.99658	1.9
208.49654	1.8
245.22595	13.9
263.23621	11.3
309.77170	1.8
337.27432	2.4
354.33475	13.5
355.28342	33.4
355.33942	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	356.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	6.4
54.34278	0.7
55.01800	5.1
55.05445	4.0
57.03370	6.4
61.02852	9.6
63.81264	0.9
68.99690	2.0
69.03343	51.3
71.04902	5.8
71.90286	0.9
73.02831	3.6
73.06461	9.9
81.03331	28.0
85.02821	100.0
87.00751	58.3
87.01294	1.9
97.02821	33.7
99.04387	14.4
101.05945	5.6
104.73946	0.9
105.01807	44.4
109.02823	24.1
117.01842	1.7
127.03861	62.8
129.01819	1.4
136.06129	10.5
145.04907	11.1
159.02841	4.4
181.08577	3.9
189.03847	1.5
199.09700	1.8
213.03908	1.3
231.04883	13.6
249.06071	4.6
271.83286	1.1
285.09616	1.8
303.10715	15.4
321.11551	2.1
331.73596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12260	0.9
51.58266	1.0
53.18278	0.9
54.23870	1.3
55.01799	1.2
55.05447	1.3
57.03373	12.3
57.07002	5.6
61.02851	2.2
67.05426	1.8
69.03348	9.1
69.06956	1.7
70.06506	5.0
71.04904	5.0
73.02800	1.8
81.03315	5.8
81.06979	5.1
81.26588	1.2
84.04419	2.1
84.08048	1.9
85.02827	33.2
85.06416	1.3
85.10090	2.8
86.09617	9.1
87.09929	2.1
90.83069	1.3
91.05392	2.1
95.08529	55.9
97.02804	8.7
99.04372	1.5
99.77001	1.3
100.81995	1.1
109.02794	1.9
113.09576	32.4
123.07983	4.5
127.03866	5.9
127.26949	1.1
130.08588	2.0
131.10640	100.0
144.08055	2.7
145.02815	1.7
145.04912	1.7
146.05997	2.4
147.04393	6.8
162.05415	2.1
172.99075	1.3
177.05380	2.8
177.11166	14.9
208.30272	1.3
236.42081	1.3
282.02545	1.4
286.91769	1.4
315.23074	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.8
55.01815	0.8
55.05444	1.3
57.03375	14.6
57.07008	4.6
59.04921	0.7
61.02859	4.4
67.05424	3.6
69.03363	8.4
69.06995	0.9
69.19737	0.6
70.06511	1.4
71.04901	3.7
71.08511	0.5
72.08067	0.5
73.02840	0.8
73.06445	0.6
74.05961	0.6
81.03345	4.6
81.06983	0.8
83.04937	0.5
84.04423	0.6
84.08058	0.7
85.02832	26.3
85.06480	2.6
85.10091	4.6
86.09613	0.9
87.04406	0.6
89.03852	0.8
91.03912	0.8
93.06974	0.6
95.08540	49.8
97.02838	9.1
97.06397	0.6
97.24998	0.6
98.05988	0.6
98.97487	0.8
99.04385	0.7
109.02814	2.8
113.09596	23.6
114.36971	0.6
115.07471	0.6
117.03358	2.5
119.04953	0.7
123.08025	2.7
125.81284	0.6
127.03839	4.0
130.06499	1.1
130.15878	3.2
131.10652	100.0
132.10999	0.7
141.09082	0.8
145.02840	10.4
145.04955	2.6
146.06021	0.7
147.04382	3.5
149.05960	0.9
162.05450	1.2
177.05418	12.0
177.11198	14.0
261.55099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76535	3.0
51.96421	3.2
55.05443	25.0
56.04965	5.2
62.06018	33.5
64.18846	3.3
65.95254	3.4
67.05421	5.9
67.79156	3.3
69.06973	16.6
69.44096	3.6
69.79456	3.3
72.04419	6.1
74.05966	4.4
75.96210	3.4
79.05389	6.3
81.06974	27.3
83.58286	3.8
84.08026	4.6
84.73866	3.9
91.05396	4.7
93.06973	15.2
94.26449	3.6
95.08495	17.9
98.05367	5.9
98.05976	100.0
98.97495	5.8
99.06752	16.9
100.07553	4.4
105.06927	4.5
112.07545	6.8
116.07048	8.1
116.98582	4.9
124.07497	6.4
134.99591	5.6
142.57692	3.5
155.13025	4.5
159.44102	4.5
196.13297	5.9
198.14807	4.7
208.13315	5.1
214.14195	4.6
216.15904	5.6
226.14368	13.2
227.15024	34.4
320.25751	19.4
338.26773	92.6
356.27853	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	3.7
53.03877	2.2
53.36974	1.8
54.32811	2.7
55.05455	70.2
56.04971	5.5
57.03360	3.3
57.07010	26.7
57.94438	2.1
58.96552	2.2
60.04436	2.4
60.66376	2.2
61.02825	1.9
67.05429	79.0
67.35567	2.7
68.04951	2.5
68.05759	2.3
69.06985	66.8
70.06510	40.0
70.07294	2.3
71.04914	16.3
71.08546	10.3
74.02354	4.8
79.05413	43.4
81.03352	4.0
81.06972	100.0
82.06509	12.2
83.04900	10.5
83.08530	44.4
85.06474	2.7
86.05967	3.2
88.07560	4.2
91.05412	39.3
93.06971	56.5
94.06488	6.1
95.04887	26.9
95.08528	65.9
96.04399	3.6
96.08065	11.7
97.06467	12.2
97.10122	18.5
99.08031	2.9
105.06989	28.5
107.08526	31.7
108.08092	4.6
109.06470	3.5
109.10099	43.6
110.06017	3.8
110.09644	2.8
111.11684	3.3
114.48358	2.6
116.95549	2.8
117.06956	3.6
119.08524	30.9
121.06466	5.4
121.10100	18.9
122.09657	4.5
123.08055	4.2
123.11672	12.0
131.08517	10.7
133.10098	25.1
135.11656	4.9
137.09557	8.7
138.47873	2.7
143.08476	3.2
145.10112	5.2
147.11649	5.7
149.13199	6.0
150.12737	3.8
151.11238	2.8
160.11127	3.4
161.09666	4.2
161.13222	5.0
164.14400	4.1
166.15834	4.4
167.14224	3.6
179.10597	21.4
182.15413	3.2
189.51083	2.6
197.41502	2.6
245.22589	5.4
262.25229	25.3
272.23633	3.4
280.26178	5.2
285.22290	3.0
288.23056	3.2
290.24692	46.4
303.23206	5.8
308.25723	3.9
310.27396	10.3
320.25882	11.5
321.24213	5.4
338.26889	38.5
338.34033	5.5
356.28058	31.7
356.35068	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22710	3.6
52.49252	3.4
53.29370	3.7
54.81228	4.3
55.05457	17.0
56.96498	8.1
57.06997	5.6
62.06017	100.0
67.05419	26.5
69.06990	17.5
70.48238	4.3
79.05397	21.1
81.06972	19.7
89.33939	4.6
91.05421	18.9
93.06963	28.2
95.04938	6.1
95.08517	21.5
98.97510	21.9
105.06987	5.9
107.08562	5.9
116.98574	27.7
119.08521	8.8
121.10094	5.0
133.10049	5.1
134.99620	26.4
149.89499	3.9
162.87849	4.7
268.94080	4.6
274.97516	9.1
277.21518	5.3
278.49191	4.2
292.98453	9.6
338.26666	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	356.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02456	1.7
54.82051	1.6
55.01808	2.5
55.05455	14.3
57.03349	2.2
61.23067	1.8
62.06012	100.0
63.84377	1.7
66.25917	1.9
67.05421	28.2
68.36376	1.9
69.06980	10.6
71.08555	3.2
73.01469	1.8
79.05411	15.1
79.98965	1.7
81.03308	3.2
81.06959	20.8
82.40038	2.1
83.08532	9.4
85.02808	2.5
85.10104	3.4
91.05386	14.7
93.06976	21.0
95.04923	2.3
95.08521	15.2
98.05978	2.6
104.25439	2.3
105.06977	8.7
107.08514	4.4
109.06412	2.6
109.10087	4.7
116.98552	2.1
117.03307	4.8
119.08517	4.6
123.11652	2.5
133.10115	4.3
137.82294	2.0
145.02817	13.3
145.70679	1.9
161.79807	2.1
162.03087	11.8
165.12779	2.6
177.05421	37.4
198.14928	3.3
205.04927	73.2
208.16954	2.6
216.15866	7.8
238.17932	17.0
277.21655	3.5
301.23578	2.0
302.17404	2.1
320.25824	33.7
338.26895	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	356.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28657	0.4
52.59908	0.4
55.05452	11.0
57.05753	0.8
57.07014	7.3
58.20759	0.3
64.89269	0.3
67.05428	3.1
69.06985	1.9
69.49246	0.4
70.06502	0.8
71.08546	4.3
72.08068	100.0
81.06973	1.9
83.08543	0.8
85.10103	2.0
88.07501	0.4
88.63646	0.4
92.10340	0.8
95.08531	3.1
99.01627	0.5
106.38680	0.4
109.10111	0.8
114.71289	0.4
118.08600	23.2
172.66412	0.4
310.31064	0.5
356.35150	4.0
368.40298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	1.5
62.05776	0.5
62.06022	9.3
62.36086	0.6
67.05415	3.7
69.06980	1.2
70.08471	0.5
79.05393	1.3
81.03336	0.7
81.06958	4.1
84.60390	0.6
85.02829	0.9
89.99109	0.6
91.05391	2.9
93.06948	2.7
95.08506	1.5
97.02813	1.1
98.97521	1.1
105.06919	0.8
105.13286	0.6
109.06448	0.9
109.10095	0.9
116.98571	1.1
117.03336	0.9
117.06969	0.7
134.99654	0.9
145.02811	4.3
149.05904	0.7
162.03079	16.6
163.05811	0.8
177.05424	37.3
190.02565	1.1
201.82954	0.7
205.04918	100.0
206.05275	0.8
233.04449	4.7
238.17828	1.3
320.25766	2.7
321.26019	1.3
324.06332	1.0
338.27060	0.7
346.50375	0.9
357.09323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1179
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
50.87980	0.3
52.90729	0.3
56.96508	0.5
62.44191	0.3
63.02303	0.6
67.05402	0.4
69.03346	0.8
70.06515	0.6
71.27585	0.3
72.08057	2.0
78.04619	0.9
81.03335	0.8
85.02818	0.8
89.03846	17.0
91.05406	2.6
95.04891	0.6
98.97469	0.4
103.05399	0.5
106.04089	0.8
116.98555	0.5
117.03333	32.3
119.04886	0.7
121.06451	0.7
130.06508	8.1
131.06847	4.5
132.07208	0.6
134.03624	5.0
134.99661	0.5
135.04398	5.4
139.57330	0.4
143.47234	0.4
145.02827	69.4
146.03188	0.8
147.04369	0.7
148.93719	0.4
149.05965	16.9
153.25345	0.5
162.03049	1.5
163.03870	6.6
177.05438	100.0
178.05772	1.8
186.05513	0.5
195.06505	17.9
267.62009	0.4
268.18951	0.7
357.15036	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	357.1178
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.03883	0.9
54.19881	0.4
56.96490	0.6
57.03363	0.6
69.03340	3.3
70.06512	0.6
71.02095	0.4
71.05679	0.4
78.03333	0.6
79.00630	0.6
81.03326	5.1
84.08057	0.7
85.02829	6.0
89.03833	13.1
91.05415	2.2
95.04893	0.7
95.08526	1.1
97.02812	3.0
98.97453	0.6
105.03338	3.3
106.02863	5.7
109.02797	2.0
113.09571	1.0
116.98573	0.7
117.03324	41.8
119.04893	0.9
121.02798	0.9
124.03922	6.4
124.05227	0.8
130.06458	2.7
131.10655	1.0
134.03604	3.7
134.99658	0.7
135.04376	3.0
145.02818	96.2
146.03206	1.1
147.04398	2.4
149.05942	17.8
163.03888	1.2
177.05431	100.0
178.05766	2.1
181.47894	0.5
184.01659	0.6
186.05525	0.6
195.06357	0.9
268.07849	1.8
290.17889	0.5
321.09573	1.3
339.10620	2.9
357.10757	0.9
357.18665	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03866	0.5
55.05435	0.3
56.96507	0.3
57.03347	0.3
63.02284	0.5
69.03336	2.1
69.07005	0.3
70.06494	0.6
71.04886	0.4
72.08054	0.3
73.02814	0.4
73.08405	0.3
77.11857	0.3
78.04604	0.4
81.03330	4.3
81.06969	0.3
84.04410	0.3
84.08060	0.4
85.02830	2.3
88.11493	0.3
89.03835	12.8
91.05389	1.6
93.06995	0.3
95.04847	0.6
97.02825	0.4
103.05390	0.4
104.05449	0.3
106.02818	0.3
106.04122	0.4
107.05743	0.3
109.02828	1.5
117.03325	41.8
118.03662	0.5
118.25502	0.3
119.04875	0.7
120.24290	0.3
121.02782	0.6
121.06358	0.3
124.03925	0.5
124.05172	0.5
124.43672	0.3
127.03869	0.6
130.05006	0.4
132.01625	0.3
132.27977	0.3
134.03583	3.6
134.84776	0.3
135.04372	4.6
145.02818	90.5
146.03152	1.5
146.06055	1.0
147.04381	1.6
149.05956	16.3
155.37102	0.4
163.03867	1.9
177.05428	100.0
178.05762	2.4
186.05446	0.6
195.06465	0.4
230.29526	0.3
274.97379	0.4
282.02795	0.4
321.09610	1.8
339.10623	1.6
357.11450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	13.2
55.01802	16.5
55.05445	35.5
56.96485	2.9
57.03379	23.2
61.34635	3.9
62.06004	13.2
67.05430	63.3
69.03349	80.2
69.06996	22.3
70.36323	2.6
71.04906	13.0
73.02829	6.0
79.05410	43.9
81.03339	36.7
81.06516	4.0
81.06976	100.0
83.04894	29.2
83.08534	12.6
85.02808	23.9
85.06416	3.0
91.05410	51.5
92.10263	8.3
93.06965	47.1
94.30251	2.6
95.04879	19.1
95.08533	32.1
97.02823	20.6
97.06448	16.9
98.97497	6.7
99.04365	15.1
99.07993	3.7
103.05387	3.1
105.06982	38.5
107.04881	16.8
107.08542	28.4
108.11459	2.9
109.02843	5.9
109.06439	11.3
111.04371	16.8
112.13654	2.8
115.05379	5.1
116.98575	6.3
117.03326	18.0
117.06952	16.2
118.38899	2.6
119.08515	19.3
121.06415	4.8
121.10086	19.8
122.03622	3.2
123.04414	4.2
123.08038	5.1
123.11662	7.3
127.03865	6.9
129.06920	11.7
131.04852	3.6
131.08473	13.4
133.06447	4.5
133.10085	14.4
134.99620	12.4
135.04337	4.7
135.08005	4.9
135.11676	5.8
137.05946	11.5
143.08469	4.0
145.02812	38.1
145.06499	4.7
145.10098	3.0
147.04341	3.2
147.07999	4.9
147.11662	24.2
147.23468	3.1
149.05940	5.7
149.13243	25.8
159.11641	14.6
165.05431	3.2
177.05405	38.7
188.91835	3.2
191.08519	3.8
195.13795	20.7
213.14827	7.4
219.08026	5.3
236.07648	4.9
247.07471	5.8
249.14636	20.9
261.09048	3.9
274.97504	5.9
279.10297	4.4
289.08481	3.0
292.98492	4.9
303.15826	6.6
307.09637	5.9
321.11130	5.6
321.16776	4.3
339.17926	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	357.2008
Annotation	3-Methylthiofentanyl
Peak:m/z	Relative Intensity
50.12268	2.4
54.81445	2.3
55.05457	4.5
62.98172	2.7
66.36949	2.1
67.05418	10.6
79.05398	4.5
79.90411	2.1
81.06971	3.1
83.08540	2.6
84.83758	2.3
93.06973	3.4
93.18155	2.7
97.10098	3.1
98.97516	4.2
116.98552	8.8
134.99608	14.9
143.19609	2.2
177.12648	2.5
195.07805	2.6
217.08128	13.8
274.97528	4.5
291.89307	2.2
292.98511	4.5
304.07141	2.3
339.19046	22.2
357.20013	100.0
369.54657	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	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	2.9
53.84892	1.7
55.01820	2.8
55.05191	2.9
55.05453	76.8
57.03366	8.8
57.07016	23.1
67.05434	75.0
69.03366	2.3
69.06991	100.0
71.04917	2.3
71.08544	13.9
79.05405	43.4
81.06525	2.7
81.06981	77.1
83.04893	3.0
83.08542	58.4
85.06462	2.7
85.10096	9.0
91.05398	13.6
93.06982	50.0
93.32561	2.5
95.04926	2.5
95.07957	3.9
95.08539	77.1
97.06468	18.6
97.10102	33.6
102.55503	2.1
107.08555	29.6
109.10121	30.6
111.08028	10.7
111.11637	5.1
121.10098	52.4
123.11648	12.4
125.09627	2.4
131.08516	3.1
134.99609	3.1
135.11636	32.1
137.09639	2.4
137.13246	3.4
139.11139	5.2
139.25008	2.3
149.13223	13.2
153.48764	2.1
163.14662	4.0
247.24084	21.0
265.25262	32.1
291.19406	2.3
297.23593	2.3
317.20718	10.3
321.18741	3.9
339.20041	4.2
339.28903	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	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	3.8
55.05194	3.5
55.05450	97.1
57.03369	7.0
57.06759	3.4
57.07010	34.4
60.92355	3.5
67.05119	5.1
67.05422	79.9
69.06982	100.0
71.04867	6.4
71.08530	19.7
79.05408	47.6
81.06973	85.1
83.04930	3.5
83.08540	62.0
85.06472	4.7
85.10072	5.6
91.05374	4.6
93.06959	56.4
95.04872	4.2
95.08529	95.3
97.06444	14.7
97.10114	39.1
107.08510	39.7
109.10094	38.6
109.39931	3.5
111.08007	4.7
111.11690	9.3
121.10080	41.4
123.11648	8.0
134.99661	5.9
135.11682	37.3
149.13232	15.9
153.12630	4.3
153.76404	3.7
165.16496	4.6
247.24132	26.7
265.25174	49.8
274.97546	5.1
283.04242	4.3
317.20923	43.5
339.28876	52.4
357.26065	30.2
361.14124	3.9
366.67755	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	357.2996
Annotation	MG(0:0/18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.74821	3.4
55.05221	5.6
55.05455	93.1
57.03366	6.8
57.07015	33.0
62.92150	4.0
67.05080	4.5
67.05430	81.8
69.06989	100.0
71.08543	18.7
79.05079	2.9
79.05415	45.0
81.06976	73.3
82.07243	3.4
83.08542	75.6
92.10265	7.9
92.31009	3.5
93.06974	52.8
95.08537	68.6
95.88279	3.5
97.06468	20.3
97.10105	39.4
107.08532	33.8
109.10110	35.4
111.08012	6.1
111.11669	7.5
116.98607	5.0
121.10108	49.5
123.11691	5.9
135.11646	42.7
149.13211	14.8
163.14743	4.5
247.24051	28.0
262.20004	3.7
265.25287	41.3
296.29388	16.0
339.28790	46.8
357.20105	6.8
357.34927	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	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63366	2.4
52.84776	1.9
53.00246	4.2
54.07586	1.9
55.05454	89.9
56.92078	2.4
57.03359	2.7
57.07015	33.3
61.84339	2.2
66.11280	2.3
67.05130	3.3
67.05437	52.5
69.06990	88.0
70.06507	24.4
70.07338	2.5
71.08545	12.7
79.05408	27.0
81.06976	62.1
83.08531	48.7
84.08871	3.1
85.10085	4.0
88.07558	30.2
89.07878	2.8
91.05411	3.9
93.06978	34.2
95.04877	2.1
95.08537	62.6
97.06454	11.2
97.10091	25.4
97.64949	2.2
102.09120	8.9
106.08607	14.0
107.08510	24.7
109.10099	26.4
111.08002	5.1
111.11667	9.3
121.10094	42.4
123.11649	2.9
135.11671	26.0
139.11183	3.7
149.13214	10.1
156.65211	2.5
163.14789	5.2
165.16362	3.3
209.56845	2.3
247.24214	19.4
265.25253	34.6
283.26059	2.6
339.28879	31.7
339.34445	5.0
356.35263	38.9
357.35495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.2
53.03879	2.5
54.81781	0.6
55.01804	2.3
55.05452	84.3
56.38012	0.5
57.03133	0.7
57.03376	13.6
57.07012	33.9
58.97335	0.5
60.24007	0.6
65.03854	1.5
65.81068	0.5
67.01157	0.6
67.05427	74.1
69.06987	100.0
70.06513	2.0
71.04896	3.9
71.08552	14.4
74.09597	0.6
75.04392	3.1
76.56348	0.6
79.05408	41.8
80.05737	0.7
81.06973	76.9
82.07296	0.8
83.04906	2.6
83.08538	61.5
84.08881	0.7
84.74971	0.6
85.06455	2.9
85.10105	7.4
88.07552	2.6
91.05390	4.6
93.06974	48.6
95.04905	1.4
95.08533	74.1
97.06461	15.2
97.10094	34.0
99.08012	1.4
106.08621	1.0
107.08538	27.7
109.10104	25.8
109.10840	0.7
111.08027	8.9
111.11669	8.2
121.10101	49.5
123.11650	7.2
125.09580	3.0
125.13297	0.6
127.34571	0.6
135.11658	29.8
137.13252	1.3
139.11188	2.5
149.13239	12.1
149.19725	0.6
151.14774	3.3
153.12584	0.6
163.14796	4.5
165.16316	2.9
177.16373	3.0
191.17946	0.8
205.19524	0.6
247.24136	19.3
265.25183	24.6
266.25488	0.6
283.26233	2.4
339.28864	34.0
339.33743	1.1
339.34537	1.0
340.28683	0.7
356.35196	4.2
357.31009	0.9
357.35419	10.4
358.26956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	2.8
53.03884	2.4
55.05452	74.8
56.24097	2.2
57.03370	11.4
57.04958	2.4
57.07011	36.7
61.80056	2.1
67.05428	58.2
69.06985	100.0
70.06502	6.1
71.08546	17.8
72.08069	19.4
79.05402	36.5
81.06975	68.2
83.08536	56.0
85.10131	5.2
88.07544	4.9
93.06979	44.3
95.08530	73.1
95.25404	2.6
97.06464	13.1
97.10088	21.6
107.08518	29.2
109.10099	31.5
111.11656	11.7
121.10081	38.3
123.11672	5.7
135.11650	27.7
139.11180	5.0
149.13245	13.1
163.14824	5.2
188.02435	3.1
218.48018	2.9
247.24144	24.1
265.25180	39.2
275.38919	2.6
339.28809	33.7
356.35199	5.6
357.35483	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	358.113
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
51.60865	0.2
54.13928	0.2
55.01818	0.3
55.05445	0.3
57.03362	0.5
61.02845	0.6
65.03860	0.3
66.95445	0.2
69.03349	2.1
70.06510	1.4
72.08069	0.3
73.02795	0.3
73.08315	0.3
81.03329	1.4
82.01108	0.3
84.04450	0.4
84.08081	0.5
85.02819	5.1
86.09609	0.6
91.05385	0.4
94.06509	0.4
95.04887	7.6
97.02820	1.5
98.97488	0.6
106.02864	0.5
107.03658	0.4
108.05652	0.4
109.02856	0.4
116.07005	0.4
116.98584	1.3
117.03310	1.3
122.05972	9.3
123.04337	0.6
124.03879	0.7
125.05939	0.6
130.06473	0.3
134.99612	1.4
135.03120	7.4
141.05428	2.2
145.02805	2.2
145.04881	0.7
147.04375	0.6
149.06020	0.3
150.05472	95.0
151.05800	1.7
177.05426	2.0
178.04948	100.0
179.05417	2.0
179.34782	0.3
196.06009	8.0
213.20270	0.3
246.70990	0.3
274.97354	0.6
292.98154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	22.1
56.96498	9.7
59.05955	3.9
61.73707	3.7
62.06011	100.0
67.05416	32.6
69.06981	11.4
70.40798	3.7
71.08540	6.0
79.05386	9.2
81.06972	38.1
83.08524	7.5
83.13012	4.7
87.76784	4.2
91.05374	9.3
91.37100	4.8
93.06960	11.6
95.08535	35.8
97.10114	5.7
98.97517	47.3
99.07983	5.4
107.08526	10.8
109.06470	6.7
109.10085	19.5
111.08047	6.0
116.98539	53.2
119.08530	7.9
121.10130	9.8
133.10095	9.0
134.99614	52.3
141.61147	4.3
153.00613	5.7
173.70384	5.4
196.31187	4.3
199.24178	5.3
250.97273	5.9
274.97461	26.1
292.98465	30.4
322.27325	55.0
340.28387	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	358.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65512	0.9
55.05442	5.2
56.04977	52.1
57.03384	1.1
57.07010	14.6
62.27087	1.0
67.05415	4.5
69.06982	5.2
70.06493	5.1
70.07317	1.1
71.08544	11.5
74.05991	100.0
81.06971	5.9
83.08545	4.0
84.04396	1.6
84.08884	1.1
85.10102	4.6
88.07555	2.4
95.08553	8.4
100.50757	1.2
102.05485	59.7
102.53793	0.9
105.17706	1.0
106.08588	1.3
109.10101	1.8
120.06533	82.8
127.57684	1.0
133.89854	1.1
301.39279	1.1
301.42648	1.2
314.07306	1.0
340.28146	1.6
357.35583	14.1
358.29568	3.6
358.35971	11.8
359.80521	1.1
384.32693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	22.4
56.96493	14.6
62.06017	100.0
67.05419	24.8
69.06979	19.9
79.05399	8.7
81.06982	35.3
91.05399	7.7
93.06973	22.0
95.08527	16.4
97.06460	4.9
98.97517	28.1
107.08496	6.6
116.98562	39.7
134.99620	41.2
135.11751	4.1
135.75208	3.9
153.00662	7.0
162.68292	4.1
181.11275	3.5
190.95341	3.7
274.97363	23.0
292.98489	24.0
322.27423	35.1
335.20511	6.3
340.28400	22.6
358.23361	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	358.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17266	0.3
51.96807	0.3
53.42185	0.4
55.05453	4.5
56.04989	0.3
56.05786	0.6
57.07016	13.8
62.05992	0.4
67.05441	3.3
68.05723	0.6
69.06991	5.0
70.06145	0.9
70.06511	20.7
70.07316	1.0
71.08550	4.3
72.08063	2.3
72.91476	0.3
76.08165	0.4
79.05413	1.0
81.06975	2.9
81.14599	0.4
82.07302	0.7
83.08528	1.8
84.08849	0.6
85.10120	1.6
88.07555	24.5
88.24221	0.4
93.06984	1.0
94.07262	0.5
95.08544	3.1
96.08878	1.6
97.10074	1.1
102.09119	5.7
106.07921	0.6
106.08616	10.9
107.08521	0.7
108.08865	0.5
109.10113	0.7
110.10458	0.5
112.77389	0.5
121.10090	0.8
122.10416	0.8
124.32574	0.5
124.65928	0.5
134.67780	0.4
135.11665	1.5
152.31583	0.4
233.12820	0.5
266.25525	1.9
314.34024	0.6
340.29303	1.7
340.35666	8.8
357.74707	0.4
358.36722	100.0
359.37103	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	360.1049
Annotation	4-ADNT glucoside
Peak:m/z	Relative Intensity
50.21858	0.9
55.01802	5.0
56.96502	1.2
57.03362	4.9
60.61922	0.9
61.02841	1.6
62.51297	0.8
69.03348	11.4
69.12582	1.2
70.06499	1.2
72.08068	1.0
73.02837	1.3
81.03330	1.9
85.02816	28.7
86.09602	4.5
91.03890	0.9
97.02812	9.4
99.04346	1.7
101.02306	1.6
109.02816	1.7
116.98540	1.5
119.46781	1.0
125.26577	1.1
127.03867	18.4
130.06467	4.7
140.07062	1.1
145.04951	9.5
155.05234	1.1
163.03897	1.3
163.06010	4.3
237.02676	1.1
276.54544	1.2
360.10446	100.0
361.10718	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	360.105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27711	1.4
55.01799	10.1
56.04962	1.7
56.75811	1.4
56.96491	3.8
57.03361	6.3
60.04446	8.6
61.02844	3.0
64.33212	1.9
65.97889	1.6
69.03342	30.4
69.80344	1.6
70.06508	13.8
72.08076	14.5
73.02811	1.9
76.35736	1.6
81.03331	8.7
84.04413	6.7
84.08060	3.3
85.02342	3.1
85.02826	58.3
85.06463	2.4
86.09624	7.8
87.04382	1.9
89.03829	3.2
90.17413	2.0
91.05379	8.2
92.10201	1.6
97.02827	19.6
98.00535	2.0
99.04388	6.1
101.02312	3.3
109.02836	3.9
110.07108	2.0
116.07056	1.7
116.98566	3.6
117.03316	7.5
119.04900	6.7
120.08034	2.1
127.03878	33.8
130.06520	2.2
133.06531	1.6
134.99612	3.7
135.04388	2.1
138.11786	1.8
144.79190	1.5
145.02821	13.6
145.04965	19.1
146.03160	2.2
147.04405	11.0
149.05943	3.0
151.07591	1.8
163.03885	8.0
163.05969	2.5
164.04378	2.0
175.03889	2.2
177.05414	14.6
178.05887	2.1
192.06671	1.6
197.03917	1.6
197.08119	2.7
207.06612	2.5
237.02771	3.2
255.01649	1.8
265.22174	1.8
273.02875	6.1
279.03687	1.9
342.22818	3.4
360.10471	100.0
361.10968	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	360.1051
Annotation	4-ADNT glucoside
Peak:m/z	Relative Intensity
55.01807	6.4
55.05448	0.8
56.96482	1.2
57.03360	4.5
61.02856	3.9
69.03348	16.1
70.06509	7.2
71.04915	1.1
72.08076	8.0
73.02824	4.4
79.05423	0.9
81.03336	4.1
82.08240	0.9
84.04454	7.4
84.08058	1.1
85.02830	39.8
86.09632	7.0
95.04865	0.9
97.02815	13.7
98.97481	1.6
99.04378	4.3
101.02331	2.2
109.02840	2.3
116.07060	1.3
116.98572	1.3
125.50532	1.0
127.03873	24.7
128.98642	0.9
129.10168	1.4
130.06512	8.5
134.22609	1.2
134.99680	1.2
145.02849	1.3
145.04939	12.6
150.05453	1.3
151.03883	1.5
161.09657	0.9
163.06024	2.2
177.05554	1.1
201.12344	1.4
227.13292	1.2
237.02715	1.3
250.49017	0.9
267.16061	1.2
360.10458	100.0
361.10803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.9
55.01812	13.3
57.03367	11.3
61.02848	8.0
64.33546	0.7
69.03346	48.4
71.01231	0.7
71.04893	1.5
73.02831	9.2
81.03323	5.1
85.02823	100.0
87.04385	1.1
91.03882	1.3
93.36614	0.8
97.02817	35.8
99.04370	10.9
101.02317	9.9
109.02841	7.2
115.03871	3.5
122.29513	0.6
127.03867	65.8
145.04926	33.1
145.06091	1.1
163.05969	8.5
180.08621	1.4
217.45514	0.6
218.94609	0.7
250.84708	0.6
250.88918	0.6
272.59277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	7.9
55.05442	2.1
57.03379	12.9
59.04933	1.3
60.72118	1.1
61.02856	13.5
67.05426	64.1
67.05782	2.4
69.03345	18.6
69.06985	2.6
71.01260	4.7
73.02827	100.0
78.37078	1.0
79.05400	17.0
81.03324	6.4
81.06965	9.0
83.04879	5.1
84.04429	1.2
85.02826	22.7
86.09610	2.6
87.04386	1.7
91.05402	51.6
93.06963	8.7
93.80932	1.0
95.04890	7.1
97.02809	7.8
97.06449	1.3
99.04375	1.4
105.03344	1.3
105.06979	22.8
107.04889	6.5
107.08519	2.2
109.06459	1.9
115.03868	6.8
115.54696	1.1
117.06933	5.5
119.08543	17.4
121.06454	1.8
125.05934	7.5
127.03867	6.4
129.06960	6.7
131.08531	26.1
133.04918	6.0
133.06459	2.6
133.10092	91.3
135.08008	1.9
137.05873	1.2
141.06976	1.7
142.07719	1.6
143.08508	1.9
145.04932	2.3
145.06493	1.3
145.10095	5.3
147.08006	1.5
147.11617	7.4
149.05968	1.3
150.07652	2.3
151.07513	1.3
151.11119	2.3
155.08516	4.7
157.10072	7.6
159.11682	2.8
161.09656	1.6
164.14494	1.1
167.08646	1.3
168.09296	2.1
169.10106	2.5
171.11565	1.4
175.11125	7.4
179.10599	2.4
181.10188	1.7
183.11633	2.6
187.11130	2.2
191.10568	2.5
193.12187	15.5
195.96115	1.2
197.13254	1.5
199.11197	1.9
201.12740	1.5
211.11111	6.2
217.12210	2.6
225.12737	1.3
227.75291	1.4
229.12154	4.6
231.67369	1.2
237.02675	1.3
243.13779	2.3
248.01784	1.5
253.12178	1.5
271.13144	5.9
289.14249	5.3
307.15302	2.4
325.16370	1.5
359.73224	1.3
360.10339	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74165	1.0
55.01799	5.3
55.05458	1.0
57.03360	1.7
61.02850	1.3
67.05427	2.1
68.73447	0.9
69.03344	10.2
69.06969	4.8
71.87323	1.0
79.05403	4.0
81.03330	1.8
85.02814	20.8
86.09625	18.3
88.45477	1.2
91.05390	5.9
93.06963	2.1
95.04900	2.2
95.08521	1.5
97.02790	6.9
99.04313	1.4
99.09071	1.2
101.02269	1.5
103.05406	1.7
105.03323	19.5
105.06979	9.8
107.08523	1.6
117.06939	5.2
119.08537	100.0
127.03905	12.3
129.07018	2.3
131.08513	6.0
132.10197	1.7
133.06464	35.8
134.99628	1.3
141.06938	1.4
142.07695	2.1
143.08543	10.0
145.04921	8.8
145.06343	1.5
145.10106	1.5
153.06946	6.9
155.08519	16.1
157.10112	4.7
159.07887	1.7
159.11652	5.1
167.08501	2.3
168.09311	34.3
169.10042	2.3
173.13187	2.4
181.06511	4.7
181.10007	2.6
183.08055	12.0
183.11670	31.3
187.11191	2.1
193.10014	8.6
196.08780	14.8
201.12711	6.2
211.11147	56.9
229.12161	6.9
262.78186	1.3
266.20947	1.2
273.47461	1.2
296.20029	2.7
314.21115	4.7
342.20462	1.9
342.70966	1.3
360.21350	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	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	2.4
55.01805	6.0
55.05450	33.4
56.05775	3.6
56.96494	2.7
57.03375	4.4
57.06990	3.6
63.17553	2.4
67.05073	4.1
67.05428	100.0
69.03364	18.5
69.06989	32.7
70.07299	3.1
71.04913	4.5
75.09435	2.6
78.78443	2.5
79.05404	15.7
80.14924	2.5
81.03345	2.9
81.06976	61.9
83.08514	15.0
85.02823	28.1
85.06427	2.5
91.05402	13.2
93.06974	19.5
95.04891	4.1
95.08536	38.1
97.02828	13.0
97.06488	3.2
97.10101	11.6
99.04379	3.5
105.06972	19.0
107.08546	12.2
109.02800	2.5
109.06430	4.2
109.10099	39.3
119.08517	10.9
121.06448	3.6
121.10084	12.9
123.08014	2.7
123.11650	16.8
125.09572	3.0
127.03818	18.1
131.08499	5.2
133.10062	11.0
135.11655	4.5
136.93112	2.3
145.04948	11.7
145.10074	4.4
147.11615	3.0
149.13274	4.1
154.94157	11.0
159.11644	5.5
163.11089	3.2
172.95186	34.6
173.13260	6.1
179.10562	3.2
179.37080	3.0
190.96269	27.6
228.97792	17.7
229.19482	3.5
247.20497	12.9
257.19058	5.8
265.21628	19.0
267.77750	2.8
275.19977	41.6
293.21017	20.2
307.22507	11.4
311.22144	3.6
325.23547	3.4
335.00348	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	2.4
55.01805	6.0
55.05450	33.4
56.05775	3.6
56.96494	2.7
57.03375	4.4
57.06990	3.6
63.17553	2.4
67.05073	4.1
67.05428	100.0
69.03364	18.5
69.06989	32.7
70.07299	3.1
71.04913	4.5
75.09435	2.6
78.78443	2.5
79.05404	15.7
80.14924	2.5
81.03345	2.9
81.06976	61.9
83.08514	15.0
85.02823	28.1
85.06427	2.5
91.05402	13.2
93.06974	19.5
95.04891	4.1
95.08536	38.1
97.02828	13.0
97.06488	3.2
97.10101	11.6
99.04379	3.5
105.06972	19.0
107.08546	12.2
109.02800	2.5
109.06430	4.2
109.10099	39.3
119.08517	10.9
121.06448	3.6
121.10084	12.9
123.08014	2.7
123.11650	16.8
125.09572	3.0
127.03818	18.1
131.08499	5.2
133.10062	11.0
135.11655	4.5
136.93112	2.3
145.04948	11.7
145.10074	4.4
147.11615	3.0
149.13274	4.1
154.94157	11.0
159.11644	5.5
163.11089	3.2
172.95186	34.6
173.13260	6.1
179.10562	3.2
179.37080	3.0
190.96269	27.6
228.97792	17.7
229.19482	3.5
247.20497	12.9
257.19058	5.8
265.21628	19.0
267.77750	2.8
275.19977	41.6
293.21017	20.2
307.22507	11.4
311.22144	3.6
325.23547	3.4
335.00348	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	2.6
53.03883	1.6
54.37056	0.8
55.01811	7.7
55.05456	42.9
57.03362	2.2
57.07003	1.0
59.04931	1.5
61.02848	1.3
67.05084	1.7
67.05428	45.8
69.03335	7.6
69.06988	44.9
71.04910	100.0
72.88426	1.0
73.06464	1.6
78.88512	0.9
79.05406	41.9
81.03319	1.6
81.06971	64.0
83.04882	4.9
83.08534	20.6
85.02833	11.7
85.06453	5.5
91.05403	32.9
93.06970	44.2
95.04890	6.9
95.08530	30.2
97.02837	3.8
97.06449	9.3
97.10104	24.0
98.78694	1.1
99.04388	1.8
99.08020	1.6
105.06974	29.7
107.04881	2.1
107.08534	43.1
109.06443	5.9
109.10110	14.8
111.08025	2.5
113.05924	1.7
117.06971	11.2
119.05096	1.1
119.08539	19.6
120.08034	2.0
121.06479	2.3
121.10101	15.3
123.08037	5.2
123.11626	2.6
125.09605	23.1
127.03851	6.2
131.08540	14.4
133.10081	15.0
133.21954	1.1
135.08038	4.9
135.11620	13.3
135.68149	1.1
137.09619	2.4
145.04945	2.3
145.10095	9.3
147.11636	9.5
149.09595	10.6
149.13211	6.4
151.11110	1.4
153.12717	1.4
159.11685	11.9
161.13187	4.4
163.11166	4.4
165.09158	1.2
171.11667	1.1
173.11658	8.1
173.13153	4.2
177.12692	6.3
179.14207	1.4
189.11162	12.5
195.13753	10.3
201.85022	1.0
209.15343	4.8
213.14694	1.1
227.16350	34.0
229.19554	1.2
239.17899	1.3
247.20473	1.4
255.97731	1.1
257.18909	5.6
275.20004	39.6
275.22470	1.4
293.21051	1.7
307.22534	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	360.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23672	0.5
55.01803	0.9
55.05454	1.3
57.03362	1.0
57.07014	21.4
58.06536	6.9
58.71611	0.6
59.56975	0.6
62.99002	3.1
63.53144	0.7
66.89567	0.6
67.05435	3.1
68.31319	0.6
69.03348	4.0
69.06991	3.9
71.08549	12.2
75.02625	1.3
77.00544	6.1
81.06982	6.2
83.08541	3.1
85.02390	0.8
85.02830	7.6
85.10098	7.1
87.02634	1.3
93.27372	0.7
95.08539	8.9
97.02830	3.2
97.10123	0.7
101.02272	0.8
105.03675	75.9
109.10139	2.8
122.06323	17.3
123.11646	1.0
127.03828	5.3
145.04951	3.5
239.23747	1.0
296.29431	100.0
297.29776	2.8
360.29218	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	360.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91768	0.2
53.03899	0.3
55.05451	0.5
57.07011	8.5
67.05429	1.1
69.06980	0.5
71.08543	3.4
71.97691	0.3
73.74091	0.2
77.03806	0.3
77.60431	0.2
78.01727	0.2
79.05407	4.2
81.06967	1.3
83.08543	0.4
85.10117	2.2
88.07550	0.5
92.10949	0.7
95.04895	1.2
95.08572	1.8
97.54528	0.2
103.05392	2.6
105.06976	100.0
106.07327	0.6
109.10125	0.3
122.09619	15.6
122.10505	0.5
127.41177	0.3
136.83923	0.3
160.40495	0.3
170.11696	0.2
256.26404	0.6
283.89697	0.3
293.03455	0.3
312.95047	0.3
359.37085	1.2
360.32574	21.2
360.36954	1.1
361.33008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.11
Annotation	PD 169316
Peak:m/z	Relative Intensity
85.02814	2.4
113.05730	1.4
125.54451	1.0
126.28170	1.0
138.88672	1.0
149.32071	1.1
163.80185	1.0
173.06477	1.2
227.05199	1.7
275.11002	11.2
317.11996	31.8
361.10956	100.0
362.11264	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24159	0.4
55.05439	2.3
56.04966	2.2
56.96482	0.5
57.03358	1.0
57.07023	0.5
67.05420	3.1
68.56071	0.5
69.06979	2.2
70.95736	0.5
74.05982	1.2
79.05396	3.6
81.03307	0.6
81.06969	5.7
83.06020	100.0
85.02818	1.3
91.05396	3.2
93.06964	3.8
95.04912	1.2
95.08527	4.3
97.02809	0.7
97.06444	1.0
98.97544	0.6
105.06970	6.6
107.08535	3.5
109.06441	2.5
109.10088	3.3
117.06988	1.1
119.08536	6.9
121.10100	4.0
123.08002	3.2
123.11663	4.1
128.04164	0.6
129.06554	74.6
131.08498	3.5
133.10088	3.7
135.04338	0.7
145.10101	2.7
147.11652	1.2
149.05991	0.8
149.09589	0.5
159.11711	0.8
163.07436	0.8
165.09045	1.9
171.11716	0.5
177.05426	0.7
177.09113	0.7
187.14790	1.3
285.79828	0.7
289.17920	0.8
314.59924	0.7
361.21115	28.0
362.21353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	23.9
54.37669	1.9
54.81876	2.4
55.01813	2.9
55.05449	8.7
63.96427	1.8
65.03860	2.6
67.05418	11.4
69.06983	10.5
70.51619	2.1
79.05405	39.9
81.03333	19.9
81.06966	10.6
85.78767	2.1
86.09630	32.1
91.05404	60.1
93.06966	18.8
95.04885	10.5
95.08519	4.3
97.06485	4.4
105.03320	15.9
105.06976	64.7
107.04895	74.9
107.08537	100.0
109.06448	17.9
109.10087	4.4
113.31496	2.2
115.05431	3.9
117.06938	4.8
119.04888	14.2
119.08523	36.4
121.06502	3.9
121.10109	2.7
123.42465	2.4
125.09569	2.2
128.06155	21.8
129.06972	26.4
131.08530	12.0
132.10179	3.0
133.06422	10.8
133.10071	10.6
135.07974	5.8
141.06937	3.1
142.07733	13.7
143.08543	95.6
144.09283	2.8
145.10098	12.5
150.00105	2.6
155.08528	2.6
156.09338	2.9
157.10085	37.6
159.11705	8.0
161.13260	15.1
165.26924	2.3
169.10056	2.7
170.10785	4.0
171.07977	3.5
171.11613	9.2
173.94441	2.6
175.14742	4.4
185.13205	60.6
189.12669	5.5
195.11591	4.3
198.10312	3.3
203.14265	22.1
213.10864	4.4
213.12720	75.4
231.13820	3.4
238.14337	10.9
276.92065	2.7
291.19568	2.7
344.22290	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	362.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00263	1.2
53.03892	1.6
55.01814	7.8
55.05451	32.1
57.03367	6.0
57.07001	2.3
59.04930	5.9
59.93526	1.2
63.22292	1.3
64.71170	1.2
67.05431	80.7
69.03343	2.0
69.06991	12.6
71.04910	29.4
71.08547	7.9
79.05412	21.4
81.03320	2.1
81.06977	32.7
83.04901	5.2
83.08537	23.0
83.58002	1.2
85.06484	1.7
88.03927	2.1
91.05424	19.6
93.06979	23.0
95.04893	4.9
95.08526	16.6
96.17295	1.2
97.06511	1.4
97.10097	19.3
99.08018	2.8
105.03349	24.1
105.06979	14.1
105.29145	1.1
107.04916	7.3
107.08553	15.0
109.06514	2.9
109.10109	74.4
111.08030	2.5
116.98615	2.7
117.06990	1.8
119.04941	1.7
119.08533	12.1
121.10091	7.4
123.08042	3.2
123.11633	1.4
125.09598	11.6
128.06212	6.9
129.06949	10.5
131.08545	7.2
133.10097	2.2
135.07993	1.4
135.11662	2.1
137.09624	2.9
141.07001	1.7
142.07771	6.4
143.08557	23.6
143.55205	1.2
144.09337	1.5
145.10124	6.0
147.11636	1.9
149.13226	2.0
151.11150	3.0
155.08592	2.0
155.10640	6.5
155.14299	6.4
156.09357	2.9
157.06488	2.9
157.10107	16.4
159.11687	2.5
161.13080	1.4
165.12758	1.5
167.07007	2.0
167.10667	2.3
170.10936	2.9
171.08008	8.3
171.11652	1.6
172.08850	1.6
173.11713	67.7
175.11252	1.4
178.84096	1.5
183.07945	1.3
185.09598	6.1
185.13219	20.4
189.11208	9.9
193.12228	4.9
195.11774	2.1
195.13800	1.9
198.10492	2.8
211.13281	2.2
213.12720	100.0
214.13136	2.3
231.13754	55.3
246.89258	1.3
251.97481	1.3
277.21628	12.4
293.21082	5.4
295.22717	3.2
325.99338	1.5
362.22903	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00263	1.2
53.03892	1.6
55.01814	7.8
55.05451	32.1
57.03367	6.0
57.07001	2.3
59.04930	5.9
59.93526	1.2
63.22292	1.3
64.71170	1.2
67.05431	80.7
69.03343	2.0
69.06991	12.6
71.04910	29.4
71.08547	7.9
79.05412	21.4
81.03320	2.1
81.06977	32.7
83.04901	5.2
83.08537	23.0
83.58002	1.2
85.06484	1.7
88.03927	2.1
91.05424	19.6
93.06979	23.0
95.04893	4.9
95.08526	16.6
96.17295	1.2
97.06511	1.4
97.10097	19.3
99.08018	2.8
105.03349	24.1
105.06979	14.1
105.29145	1.1
107.04916	7.3
107.08553	15.0
109.06514	2.9
109.10109	74.4
111.08030	2.5
116.98615	2.7
117.06990	1.8
119.04941	1.7
119.08533	12.1
121.10091	7.4
123.08042	3.2
123.11633	1.4
125.09598	11.6
128.06212	6.9
129.06949	10.5
131.08545	7.2
133.10097	2.2
135.07993	1.4
135.11662	2.1
137.09624	2.9
141.07001	1.7
142.07771	6.4
143.08557	23.6
143.55205	1.2
144.09337	1.5
145.10124	6.0
147.11636	1.9
149.13226	2.0
151.11150	3.0
155.08592	2.0
155.10640	6.5
155.14299	6.4
156.09357	2.9
157.06488	2.9
157.10107	16.4
159.11687	2.5
161.13080	1.4
165.12758	1.5
167.07007	2.0
167.10667	2.3
170.10936	2.9
171.08008	8.3
171.11652	1.6
172.08850	1.6
173.11713	67.7
175.11252	1.4
178.84096	1.5
183.07945	1.3
185.09598	6.1
185.13219	20.4
189.11208	9.9
193.12228	4.9
195.11774	2.1
195.13800	1.9
198.10492	2.8
211.13281	2.2
213.12720	100.0
214.13136	2.3
231.13754	55.3
246.89258	1.3
251.97481	1.3
277.21628	12.4
293.21082	5.4
295.22717	3.2
325.99338	1.5
362.22903	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	5.8
55.01798	6.0
55.05220	4.0
55.05448	64.0
57.03375	25.9
59.04927	3.2
67.05078	4.7
67.05424	100.0
69.03323	14.2
69.06978	94.9
71.03802	2.8
71.04889	16.1
73.06485	3.0
74.73562	3.0
79.05411	59.8
81.03339	14.9
81.06972	51.0
83.04894	59.7
83.08530	25.8
85.06445	4.7
91.05399	33.3
92.10614	6.8
93.06970	52.6
95.04889	22.0
95.08541	29.0
97.06440	5.9
97.10100	37.3
98.24985	2.8
100.28670	3.1
105.06960	17.3
107.04893	11.7
107.08527	30.7
109.06450	7.0
109.10098	37.3
111.08048	3.8
113.05925	4.4
117.06908	12.1
119.08510	19.9
121.06470	4.6
121.10052	13.2
123.08015	12.8
125.09577	19.2
131.08499	16.6
133.10046	5.7
135.08034	5.6
135.11653	3.5
137.09558	18.5
143.08469	3.9
145.10060	4.6
155.10637	3.6
159.11708	6.1
173.11650	19.3
178.52251	3.4
189.11118	12.7
221.15283	5.6
223.13232	22.3
240.41945	3.1
241.14211	4.1
261.07474	3.2
269.33643	3.6
273.18338	12.9
291.19391	28.8
309.20532	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	362.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	2.0
55.01807	6.3
55.05446	13.6
57.03373	33.8
57.07006	12.0
61.02851	9.2
67.05430	30.7
69.03356	9.7
69.06980	20.2
71.01267	2.0
71.04912	9.9
73.02831	79.5
79.05406	67.2
81.03324	7.4
81.06969	37.5
83.04903	19.7
83.08541	7.7
85.02834	7.3
85.06466	5.6
91.05411	18.1
92.10268	1.3
92.10741	3.2
93.06969	60.1
95.04872	13.4
95.08527	16.8
97.02818	6.8
97.06458	62.6
97.10096	1.8
99.08019	13.0
100.73478	1.4
103.26929	1.4
105.06956	16.2
107.04908	11.6
107.08536	31.9
109.06466	14.3
109.10112	6.0
111.08018	2.2
113.05920	1.4
115.03873	12.1
117.06976	11.3
119.08525	13.3
121.06435	7.1
121.10090	10.8
123.08030	7.0
123.11695	1.9
125.05943	21.2
125.09534	1.6
127.07531	3.0
129.06946	5.3
131.08516	14.1
133.04947	1.9
133.10092	16.1
135.08023	7.5
135.11649	100.0
136.11896	1.3
137.09586	1.7
139.07515	12.9
143.08521	6.3
144.90088	1.3
145.10085	2.9
147.08061	1.8
147.11674	2.5
149.09587	6.4
149.13239	13.1
150.07596	2.1
151.11162	1.7
153.09087	2.1
153.12709	2.1
155.08606	1.9
157.10124	5.4
159.11679	7.5
161.09541	1.7
161.13197	2.3
171.11632	1.7
175.11171	2.3
177.12711	15.0
189.28311	1.5
195.13757	73.5
213.12849	2.7
213.14845	8.0
217.15855	2.5
219.13885	2.6
231.13683	1.8
233.15387	1.8
251.16391	13.0
263.20044	2.6
273.18430	10.6
291.19437	31.1
297.39520	1.4
309.17514	1.5
309.20563	14.7
318.93082	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78554	16.9
55.05453	100.0
67.05434	30.8
79.05406	22.3
81.06968	91.2
83.04874	21.1
83.08541	76.9
95.08562	71.5
105.06938	22.4
107.08539	43.4
109.10091	29.5
119.08502	30.3
123.04522	20.0
143.08499	20.1
152.60460	22.5
157.10223	19.1
167.07030	34.6
178.07735	18.5
185.13174	21.4
213.12677	30.1
215.38927	20.8
243.14400	29.7
353.21658	35.6
361.22690	24.6
371.22665	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	362.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56608	1.4
53.57124	1.5
55.01807	7.1
55.05455	19.4
55.65725	1.2
57.03373	9.9
57.07008	2.9
59.04930	7.9
64.93681	1.2
67.05077	3.2
67.05429	89.1
67.05787	3.1
69.03339	2.2
69.06979	12.2
69.26116	1.3
71.04908	3.5
79.05415	8.1
81.06975	27.7
83.04910	2.5
83.08535	12.1
85.06454	3.1
91.05423	6.5
93.06982	12.3
95.04898	2.1
95.08546	10.7
97.06459	2.7
97.10109	8.2
100.42472	1.5
107.08539	3.0
109.10110	100.0
119.08555	9.4
121.10107	7.2
125.09592	6.5
132.10132	1.7
132.15683	1.7
133.10072	2.5
137.09608	6.6
139.11148	8.2
155.10674	9.2
173.11703	98.0
203.12749	10.8
212.23695	8.3
240.99583	1.6
277.21436	2.3
295.22678	2.5
300.28888	2.0
362.32431	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	362.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81630	1.7
55.01805	3.6
55.05450	39.4
57.03374	1.8
57.06999	1.9
65.03864	1.6
67.05425	77.6
69.03336	2.3
69.06983	7.6
71.04908	100.0
71.08546	16.6
79.05422	17.4
81.06977	46.4
81.39478	1.5
83.04898	3.4
83.08542	19.2
86.37758	2.1
91.05407	9.1
93.06981	17.0
95.04898	2.6
95.08524	13.3
97.10098	25.4
99.08017	11.7
105.06961	8.0
107.08538	14.8
109.09383	3.3
109.10098	47.1
111.08062	3.2
117.06975	3.1
119.08519	9.8
121.10107	2.1
123.11673	7.4
125.09584	17.4
131.08543	2.3
133.10103	3.5
135.11664	3.6
137.09695	2.7
151.11168	10.0
155.10648	3.0
155.14287	36.8
159.11685	2.3
173.11685	42.7
189.11189	12.7
195.67429	1.8
213.12624	6.6
225.04192	2.7
227.16373	7.7
264.59393	2.2
277.21539	13.5
309.20541	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	1.6
55.05452	33.8
57.03368	8.2
59.04937	5.6
62.37598	1.1
65.28709	1.0
67.05428	100.0
69.06977	15.7
71.04906	34.1
71.08546	6.7
79.05415	15.3
81.03342	1.2
81.06975	50.1
83.04911	2.0
83.08533	20.9
85.06473	2.8
91.05412	8.2
91.65287	1.3
92.10865	2.0
93.06982	16.0
95.04881	6.4
95.08543	16.6
97.06487	1.7
97.10104	20.6
99.08046	2.3
105.06966	6.1
106.10863	1.2
107.08537	14.1
109.10109	93.9
111.08047	2.5
117.06867	1.3
119.08526	8.8
121.10097	5.5
123.11625	4.2
125.09583	12.8
133.10092	1.9
135.11658	3.0
137.09601	1.7
147.11642	2.3
149.13264	2.5
151.11151	4.8
155.10686	13.0
155.14262	9.7
173.11694	92.5
189.11226	9.1
195.13834	2.0
199.40273	1.4
213.14894	1.8
277.21533	17.6
295.22720	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	362.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91788	0.7
55.05459	7.5
57.24931	0.7
67.05416	1.5
69.06976	1.8
70.06487	1.6
70.99996	0.7
71.08543	5.8
72.08070	100.0
74.16355	0.8
79.05404	1.1
79.73996	0.9
81.06963	4.4
83.08517	1.0
87.25242	0.8
92.10876	0.8
93.06971	1.3
95.04837	1.0
95.08514	4.2
98.05983	12.6
99.08009	1.0
104.88380	0.8
109.06448	1.6
109.10093	1.0
119.22202	0.9
121.10005	1.0
140.10687	1.1
147.11670	1.1
165.12726	2.1
172.18918	0.9
197.82489	1.0
253.40221	0.8
264.23068	7.6
291.22974	3.6
304.35370	1.0
362.30453	34.5
363.30756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	1.4
55.05444	10.9
57.03358	1.9
57.07011	11.1
57.10894	0.7
59.04935	1.4
67.05080	1.6
67.05427	36.6
69.03325	1.1
69.06968	4.0
70.06508	23.3
71.04889	1.9
71.08537	5.2
79.05421	3.5
80.03177	0.9
81.06966	13.6
83.08525	8.5
84.08083	1.4
84.97901	1.0
85.06462	1.5
85.10121	1.1
86.09583	1.2
88.07553	23.7
89.05910	1.0
91.05382	4.4
93.06966	8.3
95.08521	5.2
97.06469	1.4
97.10104	7.7
99.08000	1.5
102.09085	2.3
107.08530	5.9
109.04546	0.9
109.10098	36.8
109.30796	1.0
111.08003	1.5
114.09126	13.3
118.08581	1.8
119.08531	2.2
121.10043	1.4
125.09570	5.6
131.08516	1.3
132.10167	45.4
133.10133	1.0
137.09488	1.5
149.13239	1.5
155.10646	4.7
173.11700	36.0
176.12785	5.0
189.11169	4.4
194.13837	7.8
209.81743	1.1
239.50777	1.1
256.26169	7.5
274.27188	3.7
277.21512	8.0
295.22571	4.0
318.29938	1.8
326.28406	0.9
343.92316	0.9
362.32556	100.0
363.32886	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.8
56.80092	0.7
57.06770	1.0
57.07011	15.1
58.06518	4.9
64.33449	0.8
67.05907	0.6
70.06507	39.1
71.08559	5.5
72.08055	2.9
82.50443	0.7
84.08067	4.4
85.10090	1.0
86.09627	5.6
88.07542	11.4
89.05972	1.5
92.10900	1.1
102.09128	5.7
111.87701	0.7
132.09239	1.2
132.10159	14.9
146.11737	16.0
150.37294	0.7
164.20987	0.8
181.86241	0.8
212.23683	4.1
238.25189	0.9
242.22256	0.8
246.18060	0.7
256.26294	21.1
300.26117	1.3
300.28894	61.9
362.32568	100.0
363.32684	1.4
376.00735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53616	2.4
55.05225	3.2
55.05450	64.3
57.03355	15.1
57.06995	6.0
67.05431	59.1
69.06985	68.2
71.04903	4.2
75.51326	2.9
77.29096	2.4
79.05392	30.1
81.06970	90.1
83.08539	49.4
85.06458	5.5
91.05405	26.1
93.06962	37.3
95.04955	2.6
95.07967	3.9
95.08536	81.4
95.36153	2.7
97.06456	6.8
97.10101	29.3
99.08062	2.8
105.06969	18.0
107.08537	26.8
109.06480	3.8
109.10128	34.7
109.73444	2.8
111.08057	4.2
111.11662	5.0
119.08521	22.8
120.05225	2.6
121.10102	28.1
121.14970	2.8
123.04344	3.1
123.11656	12.4
125.09565	6.3
133.10065	16.2
135.11664	21.1
137.09589	6.0
137.13174	3.8
139.11087	5.4
147.11623	11.2
149.13164	2.7
151.11188	3.6
161.13214	13.5
167.06966	19.3
184.83536	2.6
217.19481	7.0
235.20528	11.0
252.41428	3.0
253.21577	12.2
309.24277	3.8
327.25189	100.0
329.68793	3.5
345.26294	5.6
374.49365	3.3
378.32791	3.2
380.88358	3.7
389.33795	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53616	2.4
55.05225	3.2
55.05450	64.3
57.03355	15.1
57.06995	6.0
67.05431	59.1
69.06985	68.2
71.04903	4.2
75.51326	2.9
77.29096	2.4
79.05392	30.1
81.06970	90.1
83.08539	49.4
85.06458	5.5
91.05405	26.1
93.06962	37.3
95.04955	2.6
95.07967	3.9
95.08536	81.4
95.36153	2.7
97.06456	6.8
97.10101	29.3
99.08062	2.8
105.06969	18.0
107.08537	26.8
109.06480	3.8
109.10128	34.7
109.73444	2.8
111.08057	4.2
111.11662	5.0
119.08521	22.8
120.05225	2.6
121.10102	28.1
121.14970	2.8
123.04344	3.1
123.11656	12.4
125.09565	6.3
133.10065	16.2
135.11664	21.1
137.09589	6.0
137.13174	3.8
139.11087	5.4
147.11623	11.2
149.13164	2.7
151.11188	3.6
161.13214	13.5
167.06966	19.3
184.83536	2.6
217.19481	7.0
235.20528	11.0
252.41428	3.0
253.21577	12.2
309.24277	3.8
327.25189	100.0
329.68793	3.5
345.26294	5.6
374.49365	3.3
378.32791	3.2
380.88358	3.7
389.33795	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59842	1.4
53.00257	1.5
55.05442	2.8
57.06743	2.6
57.07013	68.3
58.00743	1.7
71.08182	2.7
71.08545	39.1
73.06438	2.7
79.65819	1.5
85.10106	18.0
87.04337	2.1
89.05950	100.0
92.10870	1.8
104.52701	1.7
107.07001	3.9
133.08577	22.0
177.11160	7.0
195.12242	15.6
205.22925	1.6
363.31009	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	364.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	41.8
59.08992	9.3
63.89629	10.1
67.05415	53.7
69.06979	40.8
79.05396	41.8
81.06963	23.7
91.05396	18.0
93.06961	38.7
94.06460	14.3
95.08511	15.2
105.06935	16.3
105.23431	10.3
106.06516	12.1
120.08029	11.7
123.54877	9.0
131.10045	11.7
162.12660	9.5
162.62206	10.6
164.04089	8.7
185.15033	10.7
270.92789	10.7
292.63263	11.7
300.22675	10.0
318.24255	61.2
346.23813	40.0
347.61130	12.4
364.24765	100.0
364.32553	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	364.248
Annotation	Cardiopetalidine
Peak:m/z	Relative Intensity
55.01809	2.2
55.05440	15.3
57.03386	2.6
57.07005	3.6
67.05415	19.2
69.06977	6.0
79.05402	5.6
81.06969	15.6
83.08543	5.8
89.05970	4.6
91.05400	14.7
93.06966	12.1
95.08537	4.6
97.10091	11.0
105.06944	6.3
107.08578	9.8
110.05994	100.0
119.08533	4.7
125.09592	5.5
133.10078	13.5
136.40060	2.6
143.36823	2.7
174.59506	2.9
177.88635	2.8
197.58395	3.0
224.63548	3.3
238.14267	4.6
288.44232	2.9
296.41446	3.0
318.24371	27.1
336.25186	17.0
346.23721	27.2
364.24844	37.4
364.32025	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	364.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	10.3
55.05449	56.4
57.03363	9.4
57.06999	7.2
59.04929	3.5
63.80151	1.6
67.05425	75.5
69.03345	8.0
69.06984	41.3
71.04900	7.2
71.08548	22.7
79.05405	44.1
81.03331	17.5
81.06970	70.4
83.04899	23.3
83.08529	31.0
85.02792	2.6
85.06457	8.3
85.10102	7.2
91.05386	27.5
93.06969	41.1
95.04915	16.1
95.08535	48.6
95.09090	3.6
97.06441	12.2
97.10093	27.4
99.08014	11.0
103.05413	3.8
105.06988	16.2
107.04893	3.1
107.08531	32.1
109.06453	4.2
109.10107	38.5
111.08041	10.3
111.11636	2.7
113.09580	12.2
117.06964	7.7
119.04926	8.3
119.08535	16.8
121.06449	4.3
121.10089	32.7
123.07990	3.3
123.11626	2.7
125.09607	13.5
129.06958	2.2
130.06496	3.0
131.04861	8.0
131.08534	11.4
133.10065	15.7
135.07988	3.2
135.11662	14.5
137.09610	3.1
139.11163	32.5
145.10075	10.3
147.04341	17.1
147.11635	9.9
149.09613	8.1
151.11151	9.7
153.09122	2.3
155.10591	2.1
157.10097	3.8
159.11636	2.9
163.11166	8.0
165.12735	3.2
167.10666	2.9
173.11723	17.5
173.13083	4.6
175.11139	3.6
177.05408	2.0
177.12782	3.0
181.12202	2.2
183.64314	1.9
185.11565	2.3
189.11107	2.5
193.12219	10.7
211.13228	24.3
217.81763	1.9
219.14769	2.4
229.19298	2.2
239.17912	2.4
247.20557	2.3
248.13783	2.0
257.18869	3.0
265.21640	2.3
275.19931	27.4
289.22678	2.1
293.21033	100.0
294.20972	2.2
311.22211	16.8
328.25342	4.6
334.83395	2.1
359.12521	1.9
365.19196	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	2.8
57.07027	0.4
67.05426	6.9
68.04944	0.3
69.03354	6.2
69.06981	2.2
79.05408	7.7
81.06976	5.7
83.08533	0.5
86.05988	100.0
87.03865	0.7
87.04393	19.8
87.06290	0.6
89.05950	0.4
91.05411	3.6
92.10939	0.6
93.06974	6.9
95.04930	0.7
95.08527	4.2
97.06451	0.4
102.59926	0.3
104.07043	15.9
105.06983	2.2
107.08540	2.9
109.10103	0.7
119.08544	1.4
121.10137	2.7
131.08542	0.5
133.10143	0.4
135.11642	0.8
147.11688	0.4
149.13293	0.5
149.74345	0.3
163.14771	0.4
261.22168	1.5
364.28696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81564	2.4
55.05441	12.4
57.07013	57.8
57.77583	2.1
58.31476	2.2
64.69352	2.3
66.89688	2.2
67.05423	10.0
69.06966	10.1
71.08551	21.5
74.09631	100.0
79.05397	4.6
81.06973	15.0
89.05952	17.0
91.05364	2.4
93.06973	14.1
95.04887	2.4
95.08524	12.1
99.08002	4.9
100.07537	3.5
105.38618	2.2
107.08538	10.4
109.06453	9.8
109.10102	4.0
119.08530	3.4
124.49293	2.7
151.09615	11.3
165.12695	12.1
226.31078	2.5
266.24649	5.9
291.23215	12.4
364.32101	60.5
365.32291	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78627	0.7
78.80634	1.0
85.54909	0.9
107.88873	1.0
109.59788	0.9
111.12550	1.0
114.00755	1.0
126.12656	1.0
138.25961	1.0
164.51625	1.1
169.01523	0.9
185.04178	18.5
191.68353	1.1
203.05241	66.4
236.14650	1.1
365.10477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56385	0.9
59.95742	0.9
67.30413	1.1
69.48634	0.9
74.26662	0.8
76.41376	1.2
78.31544	0.9
102.08857	1.0
144.89938	1.1
151.51633	1.1
185.04195	18.9
203.05228	61.3
365.10486	100.0
378.39261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13448	0.1
63.37732	0.1
65.03856	0.8
72.07662	0.2
72.08070	6.0
89.10730	0.7
91.05405	13.5
95.04892	0.6
103.05403	9.5
119.04897	39.8
120.05213	0.3
131.04895	51.5
132.05235	0.6
147.04388	100.0
148.04707	1.6
148.07506	0.1
201.13818	0.3
202.12242	17.9
203.12534	0.3
217.13350	0.2
218.11696	0.7
219.14890	27.2
220.15196	0.7
235.14351	0.6
245.12718	1.6
261.12265	0.5
365.18564	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23803	1.0
76.77811	1.0
77.51785	1.1
81.06989	1.5
84.17908	1.1
92.10224	1.5
94.34174	1.0
95.35892	1.0
103.53315	1.0
114.84451	1.3
129.75391	1.1
354.65219	1.4
365.19342	5.4
365.22952	100.0
366.23273	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	365.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51382	0.3
53.60090	0.3
54.98062	0.3
55.01805	1.9
55.05248	0.3
55.05452	3.9
57.03367	1.6
57.07006	0.8
67.05427	6.3
69.06984	12.7
71.04906	0.6
71.08552	1.4
77.04357	0.3
79.05410	5.8
80.06177	2.0
81.03328	0.4
81.06977	4.8
83.04884	0.7
83.08543	1.9
85.06496	0.5
88.04041	0.3
91.05399	2.0
93.06976	6.3
95.04887	0.4
95.08540	4.1
97.06458	3.6
99.08015	0.6
105.06962	0.6
107.08545	4.1
108.05662	0.4
109.06464	2.0
109.10109	1.4
111.08029	1.5
119.08527	0.7
120.33463	0.4
121.10104	0.9
123.04397	0.5
123.08036	0.6
135.11662	6.0
136.05174	2.9
137.05936	3.9
137.13216	0.5
145.10097	0.5
147.11620	0.5
151.07526	2.0
153.12718	1.4
167.14272	1.7
179.14305	3.8
193.12207	100.0
194.12561	1.6
203.05151	0.5
205.15826	2.9
212.86024	0.4
217.14297	4.3
221.15274	2.0
319.26215	2.2
347.25735	26.7
365.10434	0.7
365.26767	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	365.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17435	0.4
55.01801	0.9
55.05449	4.0
57.06992	0.7
64.07104	0.4
67.05434	4.7
69.06985	9.6
71.04906	0.7
71.08540	1.0
79.05402	4.6
80.06178	0.9
81.06972	4.3
83.04886	0.7
83.08535	1.8
85.06470	0.8
89.18784	0.4
91.05380	2.0
93.06969	6.1
95.08546	3.7
97.06452	3.4
99.08057	0.5
107.08543	5.0
109.06454	1.9
109.10106	1.0
111.08014	0.6
119.08540	0.6
120.58301	0.5
121.10103	1.7
123.08034	0.9
135.07994	0.5
135.11668	6.0
136.05162	2.3
137.05951	5.4
137.13214	0.6
142.64012	0.4
145.10097	0.6
151.07533	2.5
153.12727	1.9
167.14288	1.9
168.80638	0.5
179.14273	3.6
181.47575	0.5
193.12207	100.0
194.12518	0.9
195.13730	0.6
196.55968	0.4
196.90480	0.4
203.63763	0.4
205.15869	2.8
209.15370	0.5
217.14314	4.0
221.15331	2.5
319.26315	3.1
347.25748	26.3
348.25931	0.7
365.26718	4.5
366.09937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.6
55.01797	0.6
55.05453	15.4
56.96500	11.2
59.06042	1.3
60.05574	3.0
64.33222	0.6
65.03857	1.4
67.05424	17.8
69.06654	0.5
69.06979	4.3
71.04893	1.2
71.08558	4.7
71.65620	0.6
79.05396	11.7
81.06974	43.6
83.08538	13.5
91.05399	6.5
93.06966	17.7
94.04094	5.3
95.04890	1.1
95.08538	14.0
97.06453	1.3
97.10102	1.2
99.08017	4.3
101.01479	1.4
101.09599	0.8
105.06962	5.0
107.08539	7.4
109.06436	0.7
109.10104	4.3
117.06981	3.3
119.08537	3.0
121.10148	1.7
122.03601	13.2
125.09580	1.4
131.08524	4.0
133.10085	4.5
135.07999	1.2
135.11652	10.0
137.05954	100.0
138.06287	8.5
140.23537	0.8
145.10097	0.7
146.01231	0.6
146.35078	0.6
149.13217	6.1
151.11134	5.9
159.11613	4.4
161.13246	1.0
163.11130	2.5
164.96774	0.6
173.11679	1.1
177.12758	5.7
179.14258	1.1
189.11212	0.7
195.13742	12.0
198.01889	2.2
208.10092	1.2
213.10390	1.0
216.03035	2.5
224.09485	1.3
226.11090	22.8
227.09401	0.7
227.11501	1.0
240.60527	0.7
242.10551	3.9
244.12161	30.1
245.12502	2.6
277.21588	6.5
283.48651	0.7
325.17932	18.2
325.68060	5.5
329.13089	1.2
344.15204	4.5
362.16278	4.1
367.24454	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	366.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.6
55.01797	0.6
55.05453	15.4
56.96500	11.2
59.06042	1.3
60.05574	3.0
64.33222	0.6
65.03857	1.4
67.05424	17.8
69.06654	0.5
69.06979	4.3
71.04893	1.2
71.08558	4.7
71.65620	0.6
79.05396	11.7
81.06974	43.6
83.08538	13.5
91.05399	6.5
93.06966	17.7
94.04094	5.3
95.04890	1.1
95.08538	14.0
97.06453	1.3
97.10102	1.2
99.08017	4.3
101.01479	1.4
101.09599	0.8
105.06962	5.0
107.08539	7.4
109.06436	0.7
109.10104	4.3
117.06981	3.3
119.08537	3.0
121.10148	1.7
122.03601	13.2
125.09580	1.4
131.08524	4.0
133.10085	4.5
135.07999	1.2
135.11652	10.0
137.05954	100.0
138.06287	8.5
140.23537	0.8
145.10097	0.7
146.01231	0.6
146.35078	0.6
149.13217	6.1
151.11134	5.9
159.11613	4.4
161.13246	1.0
163.11130	2.5
164.96774	0.6
173.11679	1.1
177.12758	5.7
179.14258	1.1
189.11212	0.7
195.13742	12.0
198.01889	2.2
208.10092	1.2
213.10390	1.0
216.03035	2.5
224.09485	1.3
226.11090	22.8
227.09401	0.7
227.11501	1.0
240.60527	0.7
242.10551	3.9
244.12161	30.1
245.12502	2.6
277.21588	6.5
283.48651	0.7
325.17932	18.2
325.68060	5.5
329.13089	1.2
344.15204	4.5
362.16278	4.1
367.24454	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	366.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20436	6.1
53.03857	8.2
53.18175	6.5
55.05439	31.9
64.33566	8.0
67.05412	73.8
69.06976	15.8
79.05396	38.6
81.06951	46.9
89.05957	9.5
91.05383	19.1
93.06947	18.5
94.06465	17.0
95.08541	12.3
97.10081	9.8
105.06979	17.4
106.06480	33.4
107.07272	15.2
107.08555	15.1
110.06002	41.2
114.07114	7.9
114.88790	8.0
120.08029	18.7
124.07523	7.8
125.09515	8.0
128.60257	8.2
135.08095	7.7
142.85423	10.5
162.12723	9.2
180.13756	11.0
326.34174	15.6
366.26328	100.0
366.33432	16.1
374.99274	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09624	1.8
55.01814	53.6
55.05454	34.1
67.05408	3.7
69.03320	2.0
69.06990	44.7
70.06509	18.5
72.04436	20.2
81.06989	2.1
82.06506	3.4
83.04906	11.4
83.08543	26.0
84.04431	70.6
84.08097	3.0
86.09631	25.6
100.07551	11.0
100.11189	64.5
100.11845	2.5
111.04397	21.5
112.07549	16.3
116.98593	2.3
126.09082	2.1
127.41542	2.1
128.07074	10.7
140.07065	2.1
145.02786	2.4
154.12247	69.0
168.13799	100.0
171.14899	20.1
182.15410	9.8
196.13306	54.0
210.14828	11.3
222.19734	2.4
228.15875	2.7
238.49811	2.7
281.18466	26.8
348.26236	9.9
366.27441	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55645	2.3
54.58403	2.6
55.05451	74.0
57.07020	2.5
57.21590	2.9
58.06524	41.8
67.69991	3.0
69.06982	5.0
70.06500	6.4
79.05431	3.5
81.07005	5.1
83.04902	13.9
83.08522	37.2
84.04434	33.8
84.08072	4.1
92.10363	6.1
92.10876	4.5
92.18148	2.9
98.05990	10.7
98.09631	6.1
100.07547	18.5
100.11182	100.0
109.61659	2.9
111.04391	21.1
111.90733	2.9
112.07556	16.4
116.98610	4.1
117.03305	6.4
119.04945	5.0
122.09597	4.0
124.45652	3.4
126.09102	12.5
127.07645	3.0
128.07039	6.8
136.06093	3.8
140.10686	93.4
145.02803	15.6
147.04402	4.4
148.94699	3.2
149.64905	3.3
154.12262	17.1
156.52821	3.5
168.10176	40.8
168.13800	6.4
177.05405	13.6
181.04924	23.5
182.11719	14.7
182.15340	69.4
185.16440	4.3
199.18045	13.3
207.35025	2.9
210.14914	21.3
228.16016	5.2
309.21484	22.5
348.26367	6.2
357.74869	3.5
366.27466	60.8
367.20871	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3002
Annotation	Melophlin P
Peak:m/z	Relative Intensity
52.00555	0.7
53.03881	1.0
55.05447	12.7
57.07001	3.1
58.06535	100.0
65.03872	1.5
67.05428	35.0
69.06991	12.7
72.60761	0.6
78.77566	0.7
79.05400	6.6
80.80439	0.8
81.06974	34.0
81.07449	1.3
83.08533	5.5
91.05407	66.5
93.06991	7.0
95.08540	22.2
97.10125	1.5
99.04422	0.8
104.07043	44.3
105.06969	5.3
107.08542	3.9
108.08047	1.1
109.10109	6.5
117.26936	0.8
119.08534	1.0
121.10110	1.7
123.11680	1.5
128.01642	0.7
133.10022	1.2
135.11639	1.3
141.06941	1.6
147.11649	1.0
161.13245	1.8
194.07953	0.8
197.05980	5.0
245.22639	1.9
307.26300	11.3
320.29617	1.5
366.27530	12.7
366.33350	13.1
367.13074	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3001
Annotation	Melophlin P
Peak:m/z	Relative Intensity
55.05453	2.7
59.06049	0.9
60.38313	0.6
67.05428	11.8
69.03354	7.2
69.06981	1.3
79.05402	2.8
81.06966	10.1
83.08528	1.1
86.05988	100.0
87.04397	22.7
88.69306	0.7
91.05442	1.0
93.06961	1.4
95.04868	0.7
95.08534	5.8
104.07045	16.6
105.06966	0.8
109.10110	1.5
119.08501	0.9
121.10059	1.1
135.03284	0.6
146.80550	0.6
177.54442	0.8
280.69852	0.7
366.29858	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	366.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21847	0.5
52.22264	0.5
53.00245	0.7
53.03873	0.8
55.05193	0.7
55.05452	19.6
57.03383	0.7
57.07001	3.7
58.06533	100.0
61.51162	0.5
65.03862	1.3
67.05426	51.6
69.06986	20.9
71.04901	0.7
71.08544	1.0
73.02832	0.8
75.41042	0.6
79.05411	11.4
81.06974	47.3
83.04906	0.7
83.08543	6.7
85.06422	0.6
91.05404	34.7
93.06974	11.6
95.04881	1.4
95.08535	33.2
95.09151	1.2
97.06487	1.5
97.10104	1.1
99.04361	1.4
104.07040	43.2
105.06978	3.2
107.08527	5.1
109.10113	11.1
113.79238	0.6
116.19134	0.7
119.08528	3.9
121.10088	4.4
123.11655	2.8
133.10077	1.5
135.11649	1.5
137.13184	0.6
139.74174	0.8
141.06924	1.2
147.11586	1.2
161.13174	0.8
175.14764	0.7
197.05933	3.9
245.22774	0.8
264.08548	0.8
307.22943	1.2
307.26263	23.1
308.26364	1.2
348.26086	1.0
366.26819	4.7
366.33603	27.1
367.13162	1.2
367.27301	1.1
367.33707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	1.8
54.81292	1.2
55.01806	1.5
55.05453	47.6
55.72356	1.4
56.37238	1.3
57.07007	6.4
60.08071	2.1
65.03851	3.0
65.94453	1.3
67.05430	100.0
69.06988	46.5
73.02840	1.9
79.05412	18.4
81.06978	98.3
83.04881	1.9
83.08540	16.0
86.05963	7.8
86.09625	20.1
87.04401	1.5
91.05400	9.6
93.06973	16.6
95.08535	63.6
95.09148	2.3
97.10117	5.6
99.04383	5.5
105.06982	8.4
107.08542	9.7
109.10126	19.6
111.11604	1.6
115.81954	1.5
117.02047	1.4
119.08525	2.6
121.10086	8.0
123.11658	7.0
132.10150	3.0
133.10083	1.7
135.11678	5.8
161.28821	1.4
222.45192	1.4
307.26260	68.5
308.26529	2.5
329.20837	1.7
337.58252	1.5
353.30331	1.4
366.29840	4.0
366.33624	82.9
367.33844	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	366.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10466	3.1
55.05450	18.0
57.07012	16.0
61.40300	3.5
67.05424	6.2
69.06997	7.0
71.08547	6.0
74.06027	3.7
79.79328	3.5
81.06968	7.9
83.08536	15.2
88.07549	23.6
89.05937	4.5
95.08491	8.7
102.09120	8.9
117.49436	3.9
117.89231	3.5
125.51504	3.6
172.29642	3.7
239.67528	4.0
284.29431	100.0
366.37268	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1289
Annotation	N,N-Didesmethylgrossularine 1
Peak:m/z	Relative Intensity
55.05440	0.6
63.02298	0.6
68.61640	0.3
69.03352	0.5
72.47739	0.4
77.37732	0.3
79.13208	0.3
85.02825	2.1
89.03848	13.4
91.05418	2.0
93.35696	0.4
100.11231	0.6
103.05410	0.8
107.25814	0.4
117.03339	39.8
118.03601	0.4
119.04881	1.6
120.79534	0.4
121.06503	1.3
134.03630	3.5
134.06012	0.7
134.52881	0.4
135.04382	4.2
145.02837	100.0
146.03143	0.6
146.05992	2.5
147.04378	2.4
149.05968	16.1
161.52557	0.4
162.05467	14.0
173.07040	3.3
174.05449	5.2
177.05449	91.3
178.05807	2.4
186.05449	0.9
191.08109	10.0
217.06001	0.6
312.69321	0.4
341.26584	0.4
366.84595	0.4
367.12781	2.0
367.20895	10.4
373.15533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04274	1.7
56.96506	2.7
57.03363	3.1
59.79959	1.5
64.16403	1.7
69.03341	11.8
70.02850	1.6
70.06506	2.9
72.13442	1.7
75.49084	1.8
81.03310	3.2
82.02864	2.8
84.04403	2.2
84.86150	1.6
85.02819	12.2
86.09615	2.9
91.05358	2.2
93.81022	1.7
96.04433	2.0
97.02832	4.2
98.02358	2.3
98.97537	4.5
103.03889	3.0
109.02769	1.9
110.07117	3.1
116.98573	4.2
118.06484	35.7
126.05457	1.8
127.03856	2.8
129.06978	2.8
130.06499	49.2
132.08054	21.9
134.99652	2.0
141.44843	1.7
142.06569	2.3
143.07251	3.8
144.08058	40.1
146.05983	100.0
146.99608	2.2
156.08064	37.0
158.06044	1.9
158.15291	2.1
159.09160	3.9
162.05470	8.6
162.07549	2.1
167.07076	2.2
168.08044	16.5
169.07567	2.6
170.05951	18.2
172.06065	3.6
182.05933	3.8
183.09099	18.4
184.07561	4.1
188.07027	52.5
198.05388	2.6
202.08609	3.1
212.07027	4.2
218.06537	8.7
222.09065	2.9
229.09692	33.8
254.07938	2.7
258.11130	8.6
276.12259	8.3
282.02719	2.6
331.12766	9.9
332.11337	14.2
349.13831	25.5
367.14948	2.6
378.89462	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	367.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.9
55.01814	1.4
56.96515	1.2
57.03357	2.4
61.02853	2.6
69.03332	6.9
70.06502	4.9
73.02827	1.7
81.03342	1.8
84.04445	1.2
85.02823	19.6
89.61008	0.9
91.05402	1.5
97.02791	5.9
98.97477	1.4
99.04400	1.3
103.03886	1.2
109.02801	1.2
116.98515	1.7
117.06949	1.3
118.06496	19.1
120.08068	1.1
127.03844	2.3
130.06454	8.6
132.07228	1.0
132.08038	9.4
134.99646	1.2
142.06442	1.7
143.07271	9.9
144.08052	24.8
145.07520	1.7
146.05981	78.6
156.08037	13.8
158.05960	1.2
158.15492	1.4
159.09178	2.5
160.07536	8.7
162.05441	1.1
168.08052	2.3
170.05942	9.0
178.04883	2.1
184.07506	4.7
186.05522	1.1
188.07025	100.0
202.08508	4.6
205.09689	25.3
206.04448	2.3
230.08051	24.1
247.10732	6.6
337.28104	1.0
350.12207	10.4
367.14993	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	367.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	1.1
56.96501	0.9
57.13890	0.4
59.04940	0.4
67.05434	0.8
69.06992	0.6
79.05398	2.0
81.06969	0.7
88.42607	0.5
89.03844	14.6
91.05396	3.3
92.10901	0.9
95.04894	1.1
98.19626	0.5
100.11168	1.0
106.04112	1.0
107.08498	0.5
117.03335	46.5
119.04885	1.2
134.03607	3.8
135.04370	4.9
143.07320	0.6
145.02831	100.0
146.03300	0.7
147.04401	2.8
149.05972	15.2
157.93028	0.5
159.06746	3.2
163.03920	0.7
174.09100	9.3
177.05443	93.9
186.05499	2.1
217.07745	0.5
217.09789	0.8
240.45059	0.5
269.10251	0.7
275.20270	0.6
287.11737	0.7
367.16705	0.7
367.21204	6.2
394.21439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80994	1.1
55.05447	1.8
59.04943	0.9
85.02826	1.6
89.55067	1.1
91.05401	4.4
92.62866	1.1
93.06947	1.4
95.08549	1.5
97.02811	1.2
100.49681	1.2
109.42403	0.9
116.98551	1.0
119.04876	8.2
127.03921	1.0
131.08492	1.0
147.04399	18.6
177.05486	1.4
188.78065	1.1
216.89975	1.0
279.15649	19.9
322.92133	1.2
367.20850	100.0
368.20944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.209
Annotation	6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03901	0.9
54.35727	0.7
55.05444	1.5
65.85476	0.7
67.05420	1.2
79.05402	1.2
81.06955	1.7
84.04443	1.9
91.05431	1.0
93.06985	1.7
95.08559	0.9
136.29573	0.9
212.84589	0.8
282.02802	1.4
349.19748	1.5
359.73413	0.9
367.17282	6.4
367.20898	100.0
368.21356	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15747	0.6
50.58019	0.7
55.05439	0.8
55.92595	0.7
56.96498	1.3
70.06496	1.0
72.08064	1.4
76.50994	0.8
81.06992	1.4
84.08040	1.2
91.05399	10.4
95.01981	0.9
107.27796	1.0
116.98577	0.9
119.04884	11.2
134.10391	1.1
139.97484	0.8
147.04390	30.6
148.04704	3.4
204.10147	2.0
204.40874	0.8
275.17477	1.0
367.24454	100.0
368.24893	3.2
370.54214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2452
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
50.15747	0.6
50.58019	0.7
55.05439	0.8
55.92595	0.7
56.96498	1.3
70.06496	1.0
72.08064	1.4
76.50994	0.8
81.06992	1.4
84.08040	1.2
91.05399	10.4
95.01981	0.9
107.27796	1.0
116.98577	0.9
119.04884	11.2
134.10391	1.1
139.97484	0.8
147.04390	30.6
148.04704	3.4
204.10147	2.0
204.40874	0.8
275.17477	1.0
367.24454	100.0
368.24893	3.2
370.54214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2447
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
52.01326	0.7
55.05446	5.8
56.96500	2.0
62.06009	2.2
64.33661	0.9
67.05421	5.9
69.07005	1.4
72.20455	0.8
74.78277	0.9
74.88093	0.9
79.05403	4.6
81.06976	14.7
82.07283	1.9
83.08528	4.8
84.08856	1.0
91.05412	1.1
93.06977	6.7
95.08533	5.2
96.08854	1.6
105.06973	1.5
107.08569	1.3
122.03599	1.5
130.68945	0.9
133.10063	1.2
134.97397	0.9
137.05956	23.3
138.06317	2.1
160.33446	0.9
178.13148	0.8
195.13812	1.2
196.14116	1.2
226.11176	1.4
244.12164	1.7
250.97275	0.9
325.68051	1.0
337.22736	1.0
367.24481	100.0
368.24841	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	4.6
56.38853	2.3
56.96490	2.9
67.05424	3.0
70.66288	2.5
74.64318	2.5
75.26621	2.2
77.70242	2.6
95.08506	3.7
170.65927	2.6
303.23676	3.0
346.49963	3.4
367.20181	3.4
367.24561	100.0
368.24857	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	367.2452
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
51.70708	1.4
52.72228	1.3
54.20367	1.5
55.05442	7.6
57.06984	2.2
57.10950	1.4
64.12432	1.6
67.05438	6.8
69.06983	3.1
71.08543	3.1
79.05432	2.8
81.03294	3.2
81.06981	3.5
90.59275	1.8
90.70790	1.5
91.05421	2.1
93.06991	2.2
95.08536	7.2
95.36848	2.0
103.93169	1.8
104.55000	2.0
109.10099	2.3
111.47836	1.6
147.04449	2.1
239.36989	2.0
288.28912	2.3
293.21075	3.6
367.20032	3.9
367.24530	100.0
368.24878	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	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	2.7
55.05447	28.6
56.23112	2.2
57.07004	9.8
60.46877	1.9
60.50007	2.0
61.00708	2.0
61.03504	1.9
67.05114	3.3
67.05424	41.5
69.03342	4.6
69.07003	17.7
69.07297	2.6
71.27766	2.0
79.05405	33.9
81.06966	51.3
83.04873	3.6
83.08530	5.9
85.06470	4.2
91.05400	59.3
93.06967	72.5
95.04900	34.5
95.08515	50.3
97.06457	5.8
103.05433	3.7
105.06969	100.0
107.08540	49.4
109.06453	10.4
109.10104	22.1
115.05370	4.8
116.06209	3.3
117.06970	22.1
119.07680	3.2
119.08530	82.8
121.06451	10.9
121.10101	38.9
122.18575	3.3
123.07982	2.9
123.11646	5.8
128.06178	13.3
129.06927	20.9
130.07724	9.8
131.08539	52.4
133.10086	45.9
135.07993	11.6
135.11633	6.1
141.06984	4.7
142.07756	22.1
143.08511	34.5
144.09280	9.5
145.06502	2.6
145.10095	51.8
146.07358	3.0
147.08044	4.7
147.11649	13.8
149.09590	4.9
152.79597	2.4
155.08527	17.5
156.09308	12.1
157.10097	35.4
158.10858	5.5
159.08080	4.2
159.11711	22.8
161.09630	20.4
161.13159	2.9
165.07030	2.8
167.08546	3.0
168.09344	3.1
169.10051	17.5
170.10942	4.6
171.11679	19.9
173.09717	2.8
173.13187	15.7
175.14804	5.4
179.08493	4.9
181.10123	3.1
182.10710	4.3
183.11671	12.3
185.13153	9.3
185.96571	2.8
187.14812	4.2
189.12766	2.7
195.11751	4.4
197.13161	9.9
199.14748	3.2
207.11623	3.3
209.13258	9.9
210.14027	3.2
211.14774	4.5
213.12801	2.9
213.16310	3.1
225.16351	3.0
227.14163	6.1
239.17645	2.7
268.37759	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	367.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79899	2.5
55.05447	3.7
57.06979	2.6
61.24478	3.0
67.05428	4.8
69.07001	5.7
81.06987	16.8
95.08536	5.2
97.10125	2.9
104.10807	2.9
110.19254	2.9
133.92426	2.9
146.39755	3.0
175.18228	3.1
180.33241	3.1
248.68085	4.0
257.71872	3.1
367.17154	5.3
367.24026	6.8
367.28156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	10.3
57.07001	1.9
60.04469	0.9
67.05428	9.6
69.06987	12.0
71.08549	20.5
72.04434	39.1
79.05413	5.0
81.06975	14.8
83.08539	6.3
85.06443	1.0
86.02477	0.8
91.05417	2.1
93.06982	10.1
95.04899	1.5
95.08540	13.0
97.06464	2.0
97.10123	2.1
99.08025	11.4
100.48964	0.8
103.08624	1.3
103.18240	1.0
105.06964	2.2
107.08546	7.5
109.06461	9.3
109.10094	5.7
111.08062	0.9
114.09131	5.2
119.08533	4.5
121.10085	4.5
123.08015	2.0
128.10690	4.8
133.10080	2.2
135.11725	1.5
142.12274	2.2
147.11671	1.1
149.13297	1.2
151.14815	1.1
156.13858	2.0
156.95259	1.0
165.12724	12.0
168.13899	1.2
170.15373	1.4
175.14755	1.2
182.15318	4.2
184.16895	1.4
193.15834	1.1
212.16493	1.5
238.21613	22.6
291.23172	15.7
336.28912	100.0
337.29199	4.2
367.33923	1.5
368.31427	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	367.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.9
56.04977	1.7
57.07009	2.0
59.01917	0.4
63.38932	0.3
65.10386	0.3
67.05426	2.6
69.06993	2.8
70.06519	0.7
71.08560	0.7
79.05416	0.5
81.06969	2.2
84.08065	100.0
85.08429	0.7
91.05392	1.6
95.08530	1.5
101.10722	2.3
108.27306	0.4
109.70335	0.4
111.09140	2.1
112.07540	1.6
129.10197	73.9
130.10597	0.5
148.20006	0.4
184.69003	0.4
197.05943	0.5
250.94249	0.5
349.32037	2.6
367.33237	5.5
393.70377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36941	0.2
54.81830	0.3
55.01800	0.3
55.05437	0.4
56.04962	0.2
56.96496	0.5
57.03360	0.3
57.25174	0.2
61.98292	0.2
69.01694	0.2
69.03354	1.0
70.06508	86.0
71.06824	0.5
72.08080	1.0
73.02821	0.3
73.06467	1.2
79.22420	0.2
81.03329	0.5
84.04421	1.0
84.08057	0.5
85.02814	2.1
86.09583	0.4
90.05463	0.4
97.02808	1.2
98.97496	1.4
110.07131	0.6
116.07038	100.0
116.98596	1.3
117.07398	1.0
129.10281	0.3
134.99631	0.6
136.06143	0.6
136.07594	0.6
144.10161	0.3
145.04955	0.3
155.04674	1.2
158.99529	0.3
162.05482	1.0
164.05133	1.7
166.03136	0.3
177.00620	1.3
188.03403	0.4
188.09160	0.4
189.04134	0.3
207.38744	0.3
216.01375	0.3
234.98935	0.3
237.02809	0.4
272.10031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2793
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
51.03382	0.4
55.05451	6.2
56.25309	0.3
57.07014	2.3
59.46386	0.3
60.04455	100.0
60.15833	0.4
60.89733	0.3
63.73206	0.4
64.01765	0.4
64.72779	0.4
65.03862	0.6
67.05428	29.3
67.05788	1.0
69.06989	7.6
70.02869	0.8
71.08552	0.5
79.05398	6.4
81.06975	21.8
83.08549	3.2
88.03916	28.2
91.05402	5.7
93.06963	7.1
95.04883	0.5
95.08530	18.0
95.94605	0.4
97.06476	0.5
97.10114	0.6
99.08006	0.5
105.06329	0.5
105.06922	3.0
106.04968	90.9
107.05322	0.5
107.08554	2.7
108.96409	0.5
109.10101	5.2
111.08024	0.8
119.08553	1.8
121.10069	2.2
123.11675	1.7
133.10103	1.0
145.73009	0.4
149.13229	0.6
161.13235	0.7
162.24437	0.4
175.14810	0.5
205.58972	0.5
244.76503	0.4
245.22504	1.8
263.23587	2.2
301.46399	0.4
350.26834	2.6
368.28076	1.4
391.97394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3156
Annotation	N-octadecanoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
52.47630	0.3
54.81480	0.4
55.05453	5.7
57.07002	1.0
67.05432	4.2
67.05742	0.3
68.04922	0.5
68.89134	0.4
69.03356	4.9
69.06989	7.1
71.08554	0.5
79.05403	1.9
81.06970	4.2
83.08538	2.9
86.05989	100.0
87.04395	16.9
87.06352	0.4
90.05479	0.7
93.06963	1.8
95.08512	3.4
96.80230	0.4
96.90817	0.5
97.10078	1.0
104.07038	15.8
107.08546	0.6
109.10151	0.6
121.10086	0.4
123.12728	0.4
132.75459	0.4
135.11621	0.8
160.50659	0.4
179.65376	0.5
207.07594	0.4
234.65305	0.6
248.11250	0.5
249.48499	0.4
368.31586	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	368.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34855	4.0
52.75933	4.1
54.39338	4.7
55.05441	33.7
56.04977	9.3
56.55864	5.2
57.07003	21.9
58.02896	10.9
58.06532	5.3
64.69876	4.9
67.05436	61.0
69.06997	68.5
70.06510	100.0
76.56216	4.9
79.40599	4.5
81.06977	78.9
83.08536	20.8
93.06975	9.4
95.08529	44.3
96.08031	8.6
105.06989	5.9
107.08514	20.8
109.10123	21.5
121.10061	6.7
121.67190	5.2
151.52512	5.2
168.17453	63.3
208.16916	36.2
226.18033	50.9
309.27774	36.8
326.33978	21.3
327.34509	28.1
368.31366	48.3
368.35559	8.6
368.42407	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	369.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.5
53.68476	0.3
54.88015	0.3
55.05456	0.3
56.96492	0.7
60.14042	0.3
63.02298	0.6
65.03877	0.4
67.05417	0.6
69.03346	2.1
70.06511	1.9
73.02808	0.5
76.02131	0.3
78.04616	0.5
79.05407	0.4
80.94872	0.3
81.03352	1.7
83.04897	2.1
84.08084	0.4
85.02826	2.6
89.03836	10.4
91.05402	7.1
95.04890	0.7
97.02808	1.4
98.97511	0.8
101.02269	0.4
107.04872	1.4
111.04381	0.7
116.06989	0.7
116.98554	0.7
117.03325	40.8
119.03395	0.7
119.04893	6.5
121.02818	0.5
127.03875	0.4
130.06512	0.5
130.93250	0.4
134.03578	3.5
135.04373	4.4
145.02823	89.6
146.03188	0.7
147.04384	6.3
149.05966	17.0
162.03076	0.4
163.03894	3.2
172.94275	0.5
175.03874	6.2
177.05432	100.0
178.05833	1.5
186.05455	0.7
190.95306	2.5
195.06433	0.5
207.06458	6.3
208.96416	2.7
232.96399	1.4
237.00592	0.4
237.02811	0.5
250.97475	0.8
351.10596	0.5
369.15555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.3
53.38678	0.2
55.01813	0.5
56.96497	0.4
57.03135	0.4
57.03376	7.5
59.62899	0.2
61.02859	1.3
63.13828	0.3
65.03864	0.8
67.56761	0.3
68.99676	0.3
69.03349	3.1
70.06504	0.4
70.37663	0.3
71.01273	8.4
71.04902	0.3
73.02833	9.5
75.04389	1.4
81.03338	1.2
83.01264	1.5
85.02829	19.4
91.05411	100.0
91.09002	0.3
92.05740	0.6
95.01259	4.3
97.02818	4.2
99.00755	2.4
99.04400	0.7
101.02316	2.2
103.03899	2.3
113.02319	6.5
117.03351	0.4
119.04913	2.1
123.00774	0.3
131.03368	3.1
137.05968	1.7
141.01819	4.7
145.02863	0.6
147.04382	2.3
149.38951	0.3
159.02879	0.5
159.57893	0.3
165.66537	0.3
175.03908	3.2
177.05421	0.7
178.81499	0.3
190.95364	0.7
193.08578	9.0
207.06560	2.4
215.05486	1.4
232.96404	0.5
233.06488	0.4
235.09636	1.7
250.97488	0.5
280.07642	0.3
312.58261	0.4
351.10602	0.4
369.11874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
57.77420	0.4
60.14507	0.5
63.02307	0.6
69.03352	0.9
70.06507	1.0
72.08071	1.2
79.25521	0.4
80.46478	0.5
81.03374	0.6
84.08061	0.7
85.02827	1.1
86.09641	0.8
89.03836	15.8
89.80307	0.5
91.05406	2.9
92.10305	0.6
95.04876	0.8
97.02824	0.5
98.05968	0.6
98.97526	1.0
102.27718	0.6
103.05417	0.6
106.04113	0.7
110.07101	0.8
110.10158	0.5
111.04424	0.5
116.98559	0.9
117.03326	47.6
119.04887	0.7
124.05183	0.6
134.03601	3.1
135.04364	4.9
136.06148	0.5
138.93805	0.6
144.08034	3.5
145.02823	100.0
145.08401	1.1
146.03172	2.3
147.04379	2.4
149.05956	18.9
151.03818	1.9
153.05397	0.8
162.03133	0.5
162.05467	6.9
163.03960	0.8
175.03893	0.9
177.05431	92.7
178.05815	1.0
186.05493	0.8
190.95319	2.0
207.06406	0.7
208.96408	1.2
250.97418	2.1
282.02753	1.0
391.48300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	0.4
56.09214	0.2
63.02288	0.5
65.03857	0.3
69.03344	1.3
70.06477	0.3
77.04290	0.3
78.04612	0.5
81.03338	0.7
83.04901	1.5
85.02817	1.3
89.03838	11.6
91.05408	3.7
93.06948	0.3
95.04910	0.6
97.02823	0.6
98.97523	0.5
103.05385	0.6
105.03333	1.3
106.04156	0.5
111.04413	0.4
116.67496	0.3
116.98573	0.3
117.03325	41.2
119.04901	3.4
120.62923	0.3
121.02820	0.4
121.06551	0.3
134.03606	3.8
135.04396	4.3
145.02821	90.9
146.03165	1.7
146.99722	0.3
147.04395	3.4
148.98192	0.3
149.05949	16.2
154.04851	0.4
162.03159	0.4
163.03856	1.7
163.05910	0.4
175.03906	3.5
177.05428	100.0
178.05756	1.8
179.06943	0.4
186.05470	0.4
190.95375	0.4
207.06532	3.3
208.96463	0.7
250.97577	0.4
351.11227	0.3
386.43286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.9
54.81137	0.8
55.05444	1.3
56.85476	0.8
58.68103	0.8
65.03815	0.8
66.41479	0.7
67.05422	1.1
69.03343	1.7
71.59308	0.7
72.08067	3.1
76.55312	0.8
81.03330	1.3
81.06966	1.2
84.04412	1.4
85.02826	4.7
86.03169	0.8
89.03848	11.5
91.05413	7.1
92.10924	1.6
97.02860	1.3
102.05428	0.7
105.03341	13.0
111.20334	0.7
116.98599	1.0
117.03333	36.5
119.04899	9.6
124.05173	0.8
134.03627	3.3
134.99768	0.8
135.04370	3.4
145.02826	100.0
146.03156	1.8
147.04390	5.3
148.94324	1.1
149.05942	18.1
158.06067	1.1
175.03889	5.4
176.10680	9.9
177.05437	99.7
178.05750	1.5
186.05470	1.4
190.95316	6.5
193.13358	11.6
207.06462	6.1
208.96445	7.0
232.96423	4.6
250.97408	4.8
280.95175	1.1
369.18063	2.9
369.22342	5.0
383.09058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96499	40.2
77.67119	3.1
78.54782	3.2
88.91434	2.7
101.18517	3.4
146.99612	6.3
173.04761	4.3
189.04315	4.3
190.95300	7.6
191.05833	4.5
199.06345	12.5
201.08028	6.0
203.05833	6.5
208.96390	13.5
217.07381	31.0
219.08978	4.2
229.07468	55.3
232.96362	3.9
247.08484	100.0
250.97475	7.5
276.08752	3.7
284.84891	3.3
333.17365	14.3
335.97000	3.8
351.18399	34.2
369.19174	93.9
387.20300	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	18.0
56.00695	5.9
56.96507	64.0
63.21602	6.5
67.05419	11.7
72.70255	7.1
79.05412	9.5
81.06982	8.3
83.54592	7.2
87.04068	7.6
90.33693	8.2
95.08533	8.9
96.88257	6.7
101.38991	6.4
135.99095	6.4
159.78159	7.4
186.72633	8.1
205.15665	7.3
208.96492	7.7
213.07849	7.4
217.07408	29.7
229.07430	29.6
231.08966	28.0
247.08502	59.0
259.12012	12.6
269.10419	45.8
287.11523	34.3
333.16980	13.2
337.87613	7.8
351.18228	33.5
369.19165	100.0
387.20551	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87354	8.2
56.96497	23.7
69.52657	8.2
91.05429	16.6
92.63968	9.9
120.31715	9.8
125.20612	9.9
155.80446	10.1
166.83981	9.2
190.95340	15.7
208.96617	11.6
217.07407	15.2
229.07443	21.9
247.08432	100.0
351.18521	12.0
369.19785	66.7
387.20428	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64160	7.4
54.81420	7.3
55.22927	6.3
56.96503	79.3
57.80159	7.4
59.17952	7.7
62.50127	8.2
62.82174	6.4
63.95124	9.0
67.05398	12.3
68.47380	8.2
79.05379	10.3
91.05376	10.7
97.10476	7.0
115.86508	9.2
128.98573	10.2
137.46329	9.6
146.48056	8.0
147.04407	8.9
156.66554	8.1
190.95302	72.6
208.96478	67.3
217.07396	19.8
229.07446	30.6
231.08987	56.8
232.96455	19.7
247.08542	43.0
250.97507	69.5
259.12091	38.8
267.75922	9.7
269.10641	15.4
287.11365	17.4
351.18542	16.2
369.19748	100.0
378.00296	8.8
387.20340	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00258	4.2
55.01808	40.1
55.05451	70.8
56.96499	23.2
57.03373	24.6
57.07005	6.1
67.05431	75.6
69.03336	6.7
69.06982	24.2
71.04948	4.4
71.08537	28.1
78.27704	5.1
79.05407	49.7
81.06975	100.0
83.04903	10.4
83.08553	28.9
85.10109	7.7
91.05397	51.7
93.06991	56.4
95.04856	7.4
95.08531	47.9
97.06436	8.7
99.08041	8.0
105.06955	32.0
107.08540	39.0
109.06466	8.3
109.10097	27.1
111.08016	26.9
116.98593	5.4
117.06990	5.1
119.04958	7.1
119.08561	17.7
121.10101	11.9
123.08063	5.4
123.11594	5.8
130.93286	5.4
133.10057	7.0
135.11708	7.4
135.26109	4.7
145.10098	5.6
147.04315	4.8
147.11691	11.3
151.11203	9.7
159.11667	8.9
161.13206	7.3
175.03874	6.3
188.20213	6.1
190.95389	43.1
207.06573	5.7
208.96452	42.6
229.07631	5.8
232.96550	11.4
247.08426	18.1
250.97447	42.9
277.21597	26.4
287.11603	8.3
310.17499	18.1
322.95844	7.1
351.18304	7.7
351.25272	19.5
353.31146	4.8
369.22357	68.8
369.26352	17.9
370.22604	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98469	2.1
53.00229	4.1
53.03880	5.5
53.70291	2.6
55.01791	5.4
55.05221	3.1
55.05450	50.0
56.81993	2.3
56.96494	6.9
57.03370	21.2
57.07009	10.2
59.04947	2.6
67.05077	4.1
67.05425	100.0
69.06991	43.2
71.04899	3.4
71.08546	75.6
79.05406	68.8
81.03320	17.9
81.06973	72.7
83.04877	14.8
83.08559	21.0
91.05404	43.1
93.06441	3.5
93.06969	62.1
94.32950	2.6
95.04879	29.0
95.08546	39.1
97.06425	12.1
97.10105	12.3
99.08030	42.3
105.06985	34.8
107.04884	5.7
107.08530	37.8
109.06443	3.8
109.10090	20.6
117.06967	6.8
119.08514	26.4
121.06414	3.7
121.10085	13.8
123.07977	4.1
125.09574	10.0
127.11176	3.2
129.06998	4.8
131.08533	4.9
133.10063	17.0
135.11649	16.1
137.09576	3.1
143.08548	3.2
145.10095	6.7
147.11659	13.7
149.13194	4.5
151.11150	65.3
161.13210	12.9
163.11142	20.1
171.11661	6.3
173.11673	15.2
175.14806	4.4
179.14247	13.9
190.95377	12.3
208.96454	31.0
224.71222	2.8
225.11336	3.3
227.12659	3.7
232.96390	4.6
241.19444	3.3
248.06085	2.7
250.97440	22.0
259.20349	4.7
266.01343	3.1
277.21594	55.3
351.18390	4.4
351.25208	48.3
352.25687	3.1
369.19641	16.6
369.25757	3.9
387.20648	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	2.5
53.03886	3.3
55.05456	40.0
57.03369	9.9
57.07011	9.0
57.95324	1.7
60.14241	1.9
67.05431	80.9
69.06995	29.0
71.04915	3.3
71.08551	64.4
79.05415	82.5
81.03331	13.3
81.06982	85.2
82.10288	2.2
83.04908	26.2
83.08543	17.0
85.06483	2.6
91.05409	49.3
93.06982	100.0
95.04879	22.1
95.08537	50.4
97.06467	14.5
97.10117	4.6
99.08029	31.9
102.90226	2.3
105.06993	31.5
107.04920	9.1
107.08542	38.7
109.06468	7.8
109.10094	19.3
111.08023	4.7
113.81752	2.3
117.06938	3.3
119.08526	26.4
121.10098	27.2
122.10410	2.0
131.08551	3.4
133.10095	16.5
135.11655	34.2
137.09583	3.0
141.09177	2.0
145.10121	3.7
147.11723	3.6
149.13280	3.5
151.11169	21.1
159.11697	3.1
161.13251	12.7
163.11205	7.2
165.12738	3.6
171.11665	2.1
179.14287	71.5
191.10692	3.2
209.11844	3.0
235.16858	2.8
237.11128	4.3
256.96088	2.4
277.21561	38.7
281.38333	2.2
293.17264	2.4
296.86618	2.2
351.25259	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	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	2.9
53.03878	2.3
55.01814	29.9
55.05448	67.5
56.96494	4.4
57.03376	25.1
57.07000	10.6
59.04923	2.6
64.33749	3.3
65.07786	2.1
67.05080	3.5
67.05426	100.0
69.03331	3.7
69.06989	39.9
71.04900	5.6
71.08543	42.3
79.05406	52.5
81.03319	14.7
81.06512	3.1
81.06974	82.0
81.16750	1.9
83.04888	11.1
83.08533	30.1
85.02816	3.8
85.06473	4.6
85.10091	9.6
90.47231	2.2
91.05402	46.0
93.06974	57.7
95.04899	24.3
95.08536	41.3
97.06438	5.0
97.10082	11.0
98.97507	2.6
99.08018	20.8
105.06950	34.5
107.04846	3.0
107.08524	25.4
109.06483	5.6
109.10093	28.1
111.07998	14.1
113.09548	4.5
117.06927	3.1
119.04895	11.6
119.08530	23.4
121.10090	24.0
123.07988	4.2
123.11636	5.6
125.09554	4.6
129.06931	4.2
130.93144	2.9
131.08522	5.3
133.10065	16.4
134.99553	3.3
135.11646	12.3
143.08534	3.3
145.10130	4.7
147.04340	4.1
147.11676	18.4
149.13185	3.5
151.11174	25.4
157.10002	2.3
159.11665	3.5
161.13239	4.3
162.05460	2.6
163.11139	9.4
165.12701	15.7
173.11658	3.8
175.03833	10.3
175.14908	2.8
179.14243	3.5
190.95349	18.4
207.06497	11.7
208.96353	22.4
220.88358	2.5
229.14406	3.4
232.96333	10.8
241.19550	3.3
250.97322	17.2
259.20737	7.2
277.21616	42.2
295.22598	4.4
301.57486	3.3
351.25159	18.4
369.22144	12.9
369.26208	18.4
388.60455	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	369.2634
Annotation	Cortol
Peak:m/z	Relative Intensity
53.00248	5.9
55.01801	12.0
55.05221	4.1
55.05455	53.8
57.07010	12.1
59.04882	2.4
59.06062	3.1
59.93419	2.5
64.32868	2.9
67.05438	49.1
69.03349	16.0
69.06992	40.6
71.04913	5.9
71.08558	39.6
73.06441	3.1
79.05409	44.5
81.03347	6.9
81.06989	76.6
83.04888	4.0
83.08554	7.2
85.06445	4.0
91.05396	19.9
93.06969	52.0
95.04887	32.4
95.08537	52.3
97.06456	15.5
99.08028	19.3
105.06966	32.0
107.08528	40.5
109.06464	53.5
109.10117	17.0
117.06967	4.3
119.08537	31.2
121.06443	32.8
121.10078	17.1
123.08031	11.6
123.11686	5.9
125.09641	3.4
131.08568	22.8
133.10106	18.1
135.08008	12.6
135.11650	6.6
137.09645	5.6
139.11160	13.1
145.10095	13.3
147.11639	6.3
161.13219	6.7
163.11159	14.4
163.14833	4.7
165.12720	100.0
165.47491	3.1
173.13275	5.8
177.12708	16.4
181.15791	5.9
190.95433	3.3
191.14262	5.5
250.97469	3.9
251.23578	3.7
261.22189	34.5
271.20505	4.6
279.23126	7.3
289.21613	60.5
307.22604	21.0
333.24167	41.1
351.25201	84.0
370.20590	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	369.2633
Annotation	Cortol
Peak:m/z	Relative Intensity
55.05449	53.8
67.05427	39.3
67.94619	9.3
69.06994	54.8
70.12312	8.0
71.08546	38.9
73.79354	8.7
78.32648	8.2
79.05397	40.3
81.06966	66.2
83.08555	12.5
86.09623	23.3
87.98659	8.9
91.05392	22.6
93.06985	63.2
95.04936	16.6
95.08534	63.4
97.06482	14.4
98.00414	9.5
105.06985	21.7
107.08537	38.9
109.06480	66.1
109.10081	10.5
119.08561	23.4
121.06492	17.7
135.08086	10.7
165.12717	100.0
177.12741	9.5
261.22025	21.7
289.21625	61.1
333.24045	19.0
351.25244	94.6
366.14828	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	369.2629
Annotation	Betaenone B
Peak:m/z	Relative Intensity
52.60204	2.1
53.03879	5.8
55.01820	22.1
55.02040	1.9
55.05451	67.0
56.90986	2.8
56.96489	3.4
57.03379	23.1
57.07001	9.3
64.18950	2.6
65.03866	2.5
67.05075	4.3
67.05427	100.0
67.43868	2.2
68.05741	2.5
69.03345	5.5
69.06985	84.9
71.04898	4.6
71.08549	4.2
79.05402	54.1
81.03319	29.9
81.06981	60.2
83.04914	11.4
83.08524	26.5
85.06455	3.0
91.05408	29.0
93.06971	52.8
95.04921	20.8
95.08533	46.9
97.06462	11.1
97.10102	20.5
103.32278	2.3
105.06966	19.6
107.08527	23.7
109.06496	4.4
109.10091	37.2
111.07961	3.6
113.51626	2.2
119.08543	16.3
121.10100	21.1
123.08044	5.9
123.11607	3.9
125.09581	10.3
129.06947	5.3
133.10120	11.3
135.11627	4.7
137.09607	13.7
139.11151	5.5
143.10576	2.8
145.10106	3.1
151.11142	5.6
189.11101	3.2
208.96431	4.9
210.07248	2.3
264.18542	2.6
277.21555	29.4
295.22714	5.8
349.22736	2.5
351.25217	19.6
369.19275	3.3
369.26273	32.0
386.81775	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	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72274	1.6
53.00245	6.1
53.03885	6.9
55.01805	8.6
55.05187	1.9
55.05449	46.8
57.03371	13.1
57.07012	30.1
62.04089	1.2
67.05427	92.8
69.03350	1.7
69.06989	33.8
71.01268	1.6
71.04910	8.5
71.08547	68.1
72.14912	1.2
79.05408	76.1
81.03329	14.2
81.06974	81.3
81.07451	2.9
82.11128	1.4
83.04900	67.7
83.08536	14.8
85.06470	3.8
91.05402	45.7
92.98872	1.6
93.06973	100.0
94.07321	1.9
95.04892	21.8
95.08531	57.4
97.06470	13.7
97.10110	3.8
99.08027	31.9
105.06978	32.6
107.04904	14.0
107.08537	46.7
107.09186	1.2
109.06441	6.4
109.10114	25.1
111.04390	7.1
111.08016	8.1
113.09543	1.8
117.06973	3.5
119.08549	22.9
121.10096	25.0
123.08025	5.7
123.11567	2.4
125.05939	5.9
125.09606	2.6
129.06979	3.4
131.08536	8.6
133.10091	15.1
135.07996	1.6
135.11664	34.8
137.09596	5.8
141.09099	5.9
142.75870	1.8
143.08571	1.7
145.10059	2.8
147.11649	9.7
149.09608	2.4
149.13226	9.2
150.65131	1.7
151.11163	25.0
153.05415	3.5
153.12750	3.1
159.11639	6.1
161.13223	14.6
163.11176	9.3
165.12703	3.0
167.10654	1.6
173.13231	2.7
175.01508	7.3
177.12852	1.7
179.14278	86.7
181.04921	7.4
184.43341	1.4
185.13174	2.1
191.10654	11.2
195.10136	2.2
195.13733	1.9
209.11690	19.2
219.10097	2.4
235.16858	2.1
237.11186	26.3
259.20459	2.2
277.21558	38.6
293.17395	17.5
313.12003	14.5
333.24191	5.5
351.25232	56.1
391.66684	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	9.8
57.07007	32.0
67.05437	16.4
69.06988	9.3
71.08533	23.5
71.37527	4.0
75.49404	4.4
81.06972	11.0
86.05973	7.8
90.13791	3.8
91.05416	5.9
95.08542	17.7
103.08646	100.0
109.10085	7.6
185.58414	4.5
186.20169	4.2
211.67393	5.9
223.03160	4.7
300.38977	4.9
303.02502	5.0
309.27451	5.7
310.28375	6.8
324.28870	6.5
369.29758	51.6
369.34149	6.5
369.42694	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	370.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.3
54.81466	0.2
55.01804	0.3
57.03363	1.5
61.02857	2.4
63.98666	0.2
66.96054	0.2
69.03354	4.6
71.04896	0.5
73.02825	0.6
75.65029	0.2
80.71326	0.3
81.03345	2.8
83.01257	0.4
85.02827	13.1
87.04401	0.6
92.10840	0.3
97.02821	3.3
99.04395	0.6
109.02820	1.9
116.04911	1.5
127.03879	1.4
134.05968	2.8
144.04378	1.9
145.04947	0.4
145.71295	0.3
146.05963	0.3
148.03940	0.5
154.78717	0.3
162.05472	100.0
163.05804	1.3
186.05495	1.4
190.04933	8.7
204.06580	3.1
208.06026	13.9
232.05971	0.3
250.07089	0.4
316.39606	0.3
370.11371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	0.6
53.03894	0.3
55.05455	0.4
57.03375	6.3
57.07015	100.0
58.07348	1.4
61.54008	0.3
66.33136	0.4
69.03362	0.8
70.06535	0.6
71.01281	0.8
73.02830	3.1
75.04404	0.5
82.61452	0.3
83.76173	0.3
84.04427	0.4
84.08074	1.5
85.02832	12.4
85.06469	43.4
86.06788	0.5
86.09648	1.8
88.58513	0.3
91.05421	1.8
95.01260	10.2
97.02851	1.7
98.09658	0.7
99.00753	0.8
101.02319	0.8
103.03918	0.7
103.07522	8.3
103.08171	0.5
109.02860	0.4
111.04381	0.4
113.02311	4.7
113.02897	0.3
119.04910	3.1
129.10196	1.2
130.06516	2.2
131.03358	3.3
136.06226	0.4
141.01808	15.3
145.02879	0.5
146.05992	12.2
146.07042	0.5
147.04390	9.9
147.05479	0.4
148.03894	0.4
154.59901	0.4
159.02892	0.6
159.10139	53.5
160.10513	0.4
162.05479	3.6
174.05554	0.6
177.05374	0.4
177.11192	34.6
178.11623	0.4
182.15401	0.6
184.07979	0.3
192.06544	1.4
313.72574	0.4
335.13541	0.8
381.91608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08092	0.4
52.43076	0.5
53.03881	3.3
53.35798	0.4
55.01802	0.6
55.05448	3.8
55.70193	0.5
56.40107	0.4
56.96503	0.6
57.03375	10.6
57.07003	2.4
61.02826	0.7
68.99691	2.0
69.03349	19.0
70.06505	2.0
71.04895	2.7
72.08067	1.9
73.02823	1.9
73.06469	8.9
81.03338	18.4
83.04910	0.5
84.08080	0.9
85.02827	22.5
85.03341	0.7
85.06464	1.0
87.00751	3.2
89.03839	0.8
90.49925	0.5
91.05424	0.8
95.04787	0.6
97.02830	14.2
99.04392	6.7
101.02316	29.3
101.05952	8.4
105.06949	0.6
107.04896	0.5
109.02836	11.8
109.94688	0.6
115.03847	0.5
116.98582	0.6
117.03336	2.1
118.03692	0.7
119.03371	100.0
120.03717	0.5
124.03899	0.6
126.43772	0.4
127.03874	21.1
131.03386	2.3
131.06892	0.4
145.02824	4.7
145.04906	1.1
146.03180	3.7
146.06018	0.8
147.04393	2.4
155.03490	0.5
159.10164	0.7
161.04350	0.5
162.05502	4.4
173.04500	2.3
175.03775	0.5
177.05429	4.4
177.11118	0.6
178.05759	3.2
181.08601	0.7
191.02307	0.6
191.14287	2.1
199.09558	0.5
207.06528	0.8
209.15378	2.5
210.57350	0.5
226.19014	0.6
227.05464	0.5
245.06514	5.5
263.07581	0.9
317.12244	14.6
335.13300	0.9
363.03598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.295
Annotation	(Z)-myristoleoylcarnitine
Peak:m/z	Relative Intensity
50.79800	1.6
55.05443	14.7
57.06995	9.0
59.63493	2.0
60.04458	100.0
67.05428	13.4
67.54021	1.5
68.45846	1.7
69.06992	17.1
71.08527	1.8
74.69827	1.6
77.74325	1.8
79.05410	4.0
81.06971	12.7
83.08543	8.0
87.06276	2.1
88.03937	22.0
88.26732	1.8
93.06974	3.3
95.08536	12.3
106.04973	96.9
114.90450	1.8
121.10110	7.8
123.75979	1.7
135.11684	3.4
144.66231	2.1
171.27631	1.8
204.93587	2.0
370.29465	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	370.3313
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
55.05444	0.7
57.07008	8.4
67.05408	2.1
69.06978	3.0
71.08554	4.5
72.27359	0.5
81.06960	2.8
83.08550	0.8
85.10104	1.3
86.09626	100.0
87.09948	0.6
91.05407	10.3
92.10954	1.1
92.16065	0.5
95.08527	3.1
96.13133	0.6
109.10077	1.0
110.06734	0.5
132.10167	29.4
173.99501	0.5
324.32364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81775	0.2
57.03368	0.3
62.17308	0.2
69.03336	1.1
69.03667	0.2
70.06516	0.4
71.04910	0.2
81.03326	0.9
83.01254	0.2
85.02837	2.0
91.05414	0.4
92.64200	0.2
97.02834	1.3
98.09634	0.2
99.04377	0.2
100.11167	0.2
100.19363	0.2
101.02303	0.7
109.02808	0.9
118.06522	0.3
119.03360	2.1
119.04929	0.2
120.03716	0.3
127.03886	1.1
128.04941	1.2
130.06506	0.3
132.04395	2.1
146.05991	100.0
147.04381	0.4
147.06325	1.5
151.87776	0.2
174.05476	12.6
187.51994	0.2
192.06531	15.1
199.09357	0.3
241.40169	0.2
318.09555	0.4
336.10736	0.3
349.82990	0.2
352.51218	0.2
354.13660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31829	0.6
53.02894	0.5
53.85518	0.5
55.01810	0.5
55.05447	16.9
57.03364	1.2
57.07009	22.4
58.07341	6.7
58.56984	0.5
61.02858	0.7
65.32269	0.6
67.05435	1.4
69.03352	4.0
69.06994	1.1
69.40231	0.6
70.06510	3.9
75.33978	0.6
81.03334	2.6
81.06963	1.0
82.06503	4.8
83.04902	6.1
83.08546	12.3
84.04428	0.8
84.08061	3.8
85.02827	5.8
85.06466	8.8
86.06800	3.9
86.09612	1.1
91.05418	1.5
95.01241	1.1
97.02821	2.8
97.06492	0.6
98.09627	3.8
100.07545	27.0
100.11186	42.2
109.02813	1.5
110.05994	1.0
111.04385	22.1
112.07552	5.5
117.13825	0.9
118.06506	1.4
119.04858	1.5
124.03925	0.7
126.09129	5.3
127.03883	3.5
128.04909	0.8
128.07030	21.0
128.10674	0.7
129.05464	1.6
130.06479	11.1
132.04445	3.4
139.08649	0.7
140.07062	6.7
141.01813	2.4
142.02116	0.8
146.05983	100.0
147.04419	4.9
147.06316	3.8
147.11603	0.8
156.10115	0.7
159.10112	5.4
160.10500	7.2
161.05817	0.8
162.05479	0.7
163.03952	1.4
164.14439	0.6
166.36209	0.8
168.13826	0.8
174.05453	16.9
175.11134	0.9
177.11212	2.8
178.11533	3.4
182.15369	60.7
192.06508	11.7
192.13753	1.4
200.34508	0.8
209.16341	5.8
210.14862	56.2
226.19400	0.7
227.17462	11.1
228.15994	1.2
244.20145	7.7
309.21533	0.7
336.10663	6.5
336.22876	1.0
337.21124	12.1
354.23819	20.4
371.26431	20.9
376.98013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	1.6
55.01801	9.4
55.05453	58.8
57.03383	14.5
57.07000	7.3
58.96383	1.2
59.88645	1.4
65.03854	2.5
67.05428	98.0
69.03343	2.2
69.06988	53.4
70.78016	1.3
71.04901	5.9
71.08547	57.1
79.04963	2.2
79.05406	51.5
81.06976	100.0
83.04887	9.6
83.08538	29.6
85.06458	2.9
85.10147	1.5
91.05405	23.4
93.06976	46.9
95.04851	3.0
95.08533	65.9
97.06468	15.4
97.10089	21.2
99.08031	37.3
105.06962	21.9
107.08531	33.0
109.09396	2.3
109.10110	39.2
111.08012	2.2
117.06944	6.8
119.08551	15.5
121.10104	18.3
123.11646	8.1
125.09573	10.8
127.11166	1.8
131.08530	10.4
133.10089	3.5
135.08047	3.0
135.11624	15.5
137.13177	2.7
145.10083	9.5
147.11646	28.4
149.13255	6.7
151.14716	1.6
153.12738	7.6
159.11653	5.5
161.13194	3.1
163.11116	2.8
163.14752	8.7
165.12721	6.6
173.11679	6.7
173.13164	3.3
177.16347	1.9
181.15770	6.2
187.14725	2.0
189.11171	2.6
195.50893	1.5
209.15352	1.6
243.20990	6.7
261.22076	16.1
279.23178	33.9
280.23276	1.7
353.26779	57.6
371.27960	2.3
372.25076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.9
55.01814	11.9
55.05198	2.0
55.05452	57.0
56.04438	1.0
57.03378	9.1
57.07000	5.6
59.04924	1.7
65.03834	1.2
67.05427	100.0
69.03336	5.6
69.06989	59.3
71.04888	4.9
71.08533	2.7
79.05405	49.6
81.06975	96.3
83.04881	7.8
83.08535	25.1
85.06440	5.2
88.72376	1.1
91.05402	15.7
93.06972	44.2
95.04892	1.5
95.08532	59.1
97.06472	9.7
97.10100	28.4
99.08025	1.5
104.49803	1.1
105.06963	10.0
107.07870	2.3
107.08535	38.5
108.32473	1.3
109.06461	2.4
109.10099	45.4
111.08022	5.4
117.06945	7.6
118.49222	1.2
119.08552	10.4
121.10114	14.9
123.07984	1.3
123.11647	9.7
125.09581	15.2
131.08537	8.4
131.48422	1.3
133.10074	6.4
135.07993	2.7
135.11685	21.1
137.09546	2.1
137.13223	6.5
145.10091	3.0
147.11630	4.7
149.13234	7.2
151.14769	1.8
153.12697	8.9
159.11655	2.8
161.13165	2.0
163.14815	3.0
167.14314	1.3
168.23672	1.1
173.11676	5.1
173.13194	7.0
177.12720	1.6
180.76372	1.2
181.15915	1.2
187.14793	1.3
189.11188	6.2
227.12796	2.5
243.20967	2.9
245.13766	2.7
261.22128	16.9
266.54352	1.2
279.23141	29.9
280.23514	1.3
310.03687	1.3
353.26761	45.3
371.27844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	3.5
55.01805	3.4
55.05222	2.1
55.05457	34.2
57.03373	13.5
57.07021	21.2
57.07244	2.0
64.32857	2.1
67.05079	4.2
67.05426	100.0
68.32662	1.9
69.06991	23.2
71.04904	3.0
71.08547	82.0
79.05422	35.1
81.06508	4.2
81.06974	98.2
83.04892	5.5
83.08538	24.2
85.10113	25.0
91.05418	33.0
93.06964	43.0
95.04897	3.6
95.08538	70.1
97.06452	10.5
97.10093	10.3
99.08018	39.9
105.06976	24.4
107.08526	29.2
109.06482	2.2
109.10106	28.5
111.08015	4.2
113.09592	13.2
119.08511	15.7
121.10086	19.8
123.11639	11.1
125.09576	5.1
131.08527	11.0
133.10086	11.1
135.11667	12.4
137.13248	4.5
145.10144	9.2
147.11653	35.8
149.13223	11.4
153.12749	4.6
159.11691	3.2
160.62001	2.3
161.13246	2.7
161.67618	2.4
163.11166	3.8
163.14857	4.5
165.12706	10.4
173.11633	3.3
173.13124	2.9
181.15836	2.9
197.93748	2.2
209.02856	2.2
229.14357	2.3
233.22589	2.6
243.21010	10.1
243.27934	2.4
261.22089	12.6
279.23141	52.2
328.65604	2.1
353.26782	62.7
371.27292	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	372.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81505	0.3
55.05445	0.7
56.04963	2.0
57.07018	2.9
58.06532	0.4
63.55330	0.3
69.06995	0.6
70.06509	0.4
72.04430	50.8
72.99785	2.3
74.05987	0.6
81.06961	0.7
83.08529	0.4
88.02136	100.0
88.07555	3.9
89.02471	0.7
89.41095	0.3
91.05413	0.4
93.06940	0.4
95.08549	0.5
119.08543	1.7
121.06453	2.5
137.04199	2.0
137.09554	1.2
154.09016	0.3
177.12720	4.0
180.08342	1.4
196.07813	3.1
208.07870	3.7
316.13602	12.8
317.13913	0.5
324.32465	2.8
351.56088	0.4
354.29959	0.7
372.34644	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	372.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25774	3.1
53.62104	3.2
55.05442	6.8
56.96502	94.2
57.03374	3.8
64.33114	3.3
65.03851	16.1
67.05421	20.9
69.06979	15.5
71.95167	3.8
81.06956	7.9
82.62940	3.2
91.05418	7.3
91.46637	2.9
93.06963	7.5
95.08498	5.8
96.23782	3.8
116.98611	3.7
118.64507	3.6
119.04971	5.1
121.02853	3.5
121.10088	6.7
130.01736	14.7
132.03346	4.8
139.03880	5.1
145.12474	3.9
147.04396	18.8
148.02737	7.3
149.02312	74.0
149.03392	6.4
150.04391	6.4
160.99934	8.0
164.02065	4.6
169.01364	6.6
169.51332	5.6
172.99940	6.0
193.04886	46.7
221.07498	3.8
237.07512	6.1
243.03409	29.4
250.30511	3.7
264.16296	7.2
273.17474	4.4
282.17313	92.4
286.20483	8.7
298.20554	14.7
300.18378	61.6
300.22021	48.3
306.14825	3.6
310.20554	29.0
312.21970	27.8
316.21494	6.1
318.23218	7.2
328.21533	14.7
330.23087	74.1
347.06143	5.5
348.23788	4.6
355.95215	3.4
372.24194	100.0
373.24487	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	372.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20855	1.0
53.98586	1.0
55.05437	2.5
56.04958	2.6
57.07005	1.4
62.98173	2.1
63.68932	1.3
67.05414	6.5
68.72581	1.0
69.06965	2.1
70.06506	2.3
70.19153	1.2
80.92659	1.1
81.06979	9.1
83.08538	1.9
86.04861	1.4
88.07543	13.4
88.31398	1.1
91.05399	1.2
95.08514	5.0
97.10125	1.3
102.13876	1.3
109.10097	1.9
118.08631	1.6
124.11114	1.2
161.13152	1.3
245.62135	1.2
273.13885	1.3
324.32480	6.0
354.12701	1.7
372.24744	100.0
372.34518	12.9
373.25122	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	372.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	4.8
55.05193	4.1
55.05454	100.0
55.96765	3.0
56.47985	3.1
56.96510	5.5
62.06022	17.1
63.37881	3.2
67.05435	47.6
69.03348	6.7
69.06984	26.3
71.04906	5.7
71.08548	17.0
79.05401	38.1
81.06982	56.3
83.04899	6.9
83.08543	50.5
85.06441	4.1
90.92399	3.7
91.05410	31.7
92.64258	4.1
93.06960	33.5
94.24802	4.0
95.04893	7.9
95.08537	24.7
96.08045	5.0
97.10110	82.1
99.08025	16.5
105.06967	16.0
107.08562	35.6
109.06446	7.2
109.10132	15.1
111.08051	4.2
119.04881	33.0
119.08519	8.6
121.10064	9.9
123.08022	7.3
123.11639	4.5
125.09581	53.8
131.08557	4.9
133.10104	9.9
134.01915	4.2
135.08026	6.8
136.66069	4.2
145.01700	4.9
145.10100	7.0
147.04388	67.9
147.11653	7.5
152.14386	9.6
161.05876	4.7
163.10977	4.8
168.32590	4.1
189.11201	52.8
189.14117	5.0
245.03241	4.8
257.03278	6.5
270.38821	5.0
276.23193	8.9
277.21744	5.5
294.24271	72.0
301.21567	7.7
358.21732	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	372.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75119	0.2
51.23120	0.2
55.05445	1.0
55.33533	0.2
57.07003	0.4
58.76628	0.2
59.06443	0.2
65.03872	2.0
67.05413	0.3
69.06978	1.5
79.05415	0.3
81.06960	0.5
83.08529	1.1
84.66985	0.2
91.05403	100.0
92.05740	1.4
94.70377	0.3
95.08532	0.4
97.10092	0.4
108.08059	2.0
109.10109	0.3
121.10077	0.3
144.75024	0.3
190.12082	0.3
270.47470	0.2
367.64206	0.3
372.27878	0.5
372.32513	14.9
373.32590	0.5
393.34903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1131
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.03885	1.8
55.05452	0.2
56.96500	0.2
57.03372	2.0
61.02839	0.2
67.90244	0.2
69.03356	0.4
70.06509	0.7
71.01273	0.2
72.08064	0.4
73.02825	1.4
75.04386	0.2
77.03832	0.2
79.05411	2.2
81.03335	0.3
84.04437	0.3
84.08059	0.4
84.21944	0.2
85.02833	4.2
86.09628	2.4
95.01258	4.0
95.03588	0.2
95.04895	6.4
95.08525	0.2
97.02814	0.6
99.00760	0.3
101.02316	0.2
103.03852	0.2
105.03337	100.0
106.02922	0.3
106.03662	1.4
107.03754	0.2
107.04910	0.2
110.05968	1.4
113.02310	1.1
119.04970	0.2
121.02876	0.2
123.04380	3.4
124.03890	0.2
131.03369	0.8
138.05476	0.2
140.19930	0.2
141.01810	4.5
145.02821	1.5
147.04446	0.4
149.04665	0.2
159.02896	0.2
166.04941	2.5
170.58469	0.2
177.05447	1.7
179.06995	12.8
194.04427	1.7
197.08066	5.4
212.05548	0.3
229.32138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96566	1.8
65.24020	2.0
69.06994	2.7
70.34704	2.1
85.02816	3.1
86.09635	3.7
91.05401	15.5
102.32272	2.2
103.05451	3.9
103.57884	2.3
105.06969	2.2
107.04868	3.4
109.06476	2.6
115.05391	16.5
119.04898	18.4
121.06422	3.3
122.03600	11.8
131.04843	5.5
137.05959	100.0
143.04930	4.3
144.05652	4.6
147.04404	40.4
149.05840	3.2
151.03915	4.9
154.91493	2.7
159.04364	14.4
160.05164	33.9
175.07509	45.1
177.05452	13.1
187.03862	9.1
187.07497	15.8
201.05411	14.4
211.07547	16.9
219.06487	20.4
226.04883	2.7
239.06996	9.5
240.07835	2.8
271.09546	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	373.1902
Annotation	Biocytin
Peak:m/z	Relative Intensity
53.92569	1.2
56.04969	3.2
65.38528	1.2
66.30641	1.4
66.91272	1.2
70.06496	2.1
74.18616	1.2
76.56129	1.2
84.04424	2.3
84.08069	100.0
86.09612	2.4
97.03941	3.1
98.97516	2.2
101.92173	1.5
102.33997	1.5
116.98546	2.8
118.08424	1.3
120.05209	1.4
123.02623	2.0
130.08621	2.2
130.25980	1.5
134.99614	6.6
140.24199	1.5
147.04396	2.2
166.04973	3.0
166.06699	2.4
170.06161	1.5
195.03468	3.2
227.08449	34.8
290.94589	2.4
292.98962	1.5
310.15839	22.8
373.18991	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	373.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99980	2.2
52.68822	2.3
54.81770	3.1
60.43570	2.5
62.98172	5.5
184.29816	2.5
248.36316	2.9
319.96100	2.5
373.22580	5.1
373.26862	100.0
382.29645	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	373.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91715	2.0
54.74660	2.0
55.01814	3.5
55.05454	76.1
56.96492	14.5
57.03354	11.4
57.06996	16.0
67.05429	60.8
69.03320	2.8
69.06990	100.0
71.04908	4.6
71.08534	9.5
79.05407	20.3
81.06514	3.5
81.06980	89.3
83.04919	2.4
83.08538	47.4
85.06487	4.3
85.10124	2.6
91.05412	20.7
93.06982	29.6
93.07480	4.1
95.08541	67.8
97.06429	9.5
97.10103	31.7
105.06986	17.4
107.01343	2.6
107.08538	22.0
107.81800	2.4
109.10118	29.5
111.11675	10.0
119.08547	15.2
121.10076	20.5
123.07986	2.8
123.11661	11.3
133.10097	11.9
135.11658	5.0
141.29070	2.2
146.99602	14.5
147.11618	4.7
149.13202	4.3
161.13211	4.2
163.14766	4.6
165.00732	2.7
165.12752	3.3
175.14883	3.5
202.05412	2.4
245.22549	12.9
263.23590	11.8
269.26825	2.5
294.30560	3.2
315.16260	15.2
330.42017	2.4
333.17291	44.4
337.27252	4.4
351.18231	12.2
355.28360	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	24.5
57.03368	7.0
57.07010	11.9
67.05425	100.0
69.06984	29.6
70.50637	1.9
71.08546	2.8
79.05409	30.3
81.06970	100.0
83.04897	2.3
83.08545	21.7
85.06467	2.4
85.10116	2.1
91.05406	20.3
93.06976	27.8
95.08530	83.7
96.08911	1.9
97.06456	6.3
97.10097	10.3
99.08050	2.2
105.06982	15.3
107.08530	15.9
109.10102	31.0
111.08022	3.3
113.09606	2.0
119.08533	16.0
121.10100	16.0
123.11662	14.4
133.10081	16.1
135.11664	3.5
137.13161	1.8
147.11647	7.7
149.13252	2.5
161.13200	8.3
163.14777	2.5
165.16333	3.2
175.14767	3.1
179.17781	2.7
189.16431	1.6
227.81717	1.6
245.22577	23.6
263.23624	25.1
270.34598	1.9
273.08319	1.8
292.07782	1.7
337.27371	12.4
374.26468	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	373.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	1.9
53.03894	1.4
55.05449	46.3
57.03373	14.0
57.06731	2.8
57.07010	64.4
60.33289	1.4
67.05426	93.5
69.06988	58.5
71.08545	55.5
79.05393	21.1
81.06975	100.0
81.07455	3.6
83.08537	36.0
85.06461	4.1
85.10114	16.6
91.05397	17.6
93.06960	29.0
95.08529	90.8
97.06453	6.6
97.10096	23.4
99.08035	2.9
105.06969	14.6
107.08539	15.7
109.06445	2.5
109.10098	42.1
111.11659	8.1
119.08524	15.7
121.10115	14.4
123.11663	11.3
125.09648	2.0
132.37669	1.7
133.10085	14.3
135.11653	3.0
137.13239	3.6
141.12744	7.2
147.11650	10.6
149.13239	3.6
155.14293	9.7
161.13162	11.5
163.14781	3.6
175.14688	2.2
179.17929	1.8
189.16327	2.8
204.30624	1.9
223.33064	1.7
231.40906	1.9
236.51869	2.0
245.22531	17.6
253.25270	2.0
263.23657	20.3
281.24701	2.7
299.25629	7.0
337.27496	3.1
355.28372	40.6
356.27908	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	373.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13270	1.2
55.01812	1.6
55.05450	49.2
56.54943	1.5
57.03374	12.5
57.06741	2.8
57.07013	79.5
59.04920	1.7
64.07796	1.3
64.73537	1.5
66.39540	1.4
67.05428	78.5
67.70554	1.6
68.28190	1.4
69.06989	56.7
70.89329	1.4
71.04892	2.0
71.08193	3.0
71.08547	70.7
74.11770	1.4
79.05412	24.9
79.42991	1.6
81.06973	100.0
82.07305	1.9
83.08541	38.7
85.06435	1.9
85.10101	14.9
90.65488	1.6
91.05402	20.6
93.06969	22.7
95.04952	1.6
95.08534	79.9
97.06461	7.3
97.10090	21.3
99.08032	2.0
105.07020	13.4
107.08541	16.0
109.10116	41.7
111.07957	2.3
111.11647	6.4
115.85640	1.8
119.08508	18.3
121.10087	10.1
123.11663	14.7
129.96030	1.6
133.10103	15.8
135.11665	4.1
137.09625	2.3
141.12706	9.8
147.11646	8.0
149.13246	2.3
151.11034	1.7
155.14297	3.8
161.13225	6.8
175.14786	3.1
179.17833	2.0
193.25235	1.8
240.73987	1.8
245.22620	12.3
263.23596	13.3
299.25751	12.7
337.27161	4.1
355.28357	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	374.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03107	0.7
52.06279	0.4
53.00211	0.4
53.03873	0.5
55.01797	0.8
55.05441	0.9
56.96499	0.7
57.03351	1.8
61.02843	1.0
65.03862	2.3
67.04154	2.3
67.05416	3.0
69.03339	3.4
69.06977	0.8
70.06494	1.8
71.04875	0.8
72.08074	3.6
73.02818	0.6
77.16021	0.4
78.03365	0.6
79.05389	2.2
81.03326	2.6
81.06970	0.6
82.06495	1.8
83.04885	0.8
83.05952	0.4
84.08057	2.0
85.02824	9.3
85.46387	0.5
91.05403	5.7
92.05719	0.7
93.06987	1.0
95.03638	8.5
95.04893	37.1
97.02816	4.8
105.03293	1.7
105.06969	4.9
106.02842	2.7
107.03642	4.4
108.01971	0.7
109.02810	0.7
110.05990	68.2
112.11098	0.5
114.25532	0.4
116.98602	0.5
117.03311	4.2
119.08512	0.9
120.04417	2.4
121.02813	0.8
122.05977	15.1
122.71910	0.4
123.04379	14.9
127.03873	2.1
128.34361	0.4
130.04854	0.4
130.06479	1.1
131.08507	1.8
133.10101	11.6
134.02269	1.6
134.10439	3.5
135.03159	0.8
136.03931	0.6
138.05473	13.5
141.05472	1.9
145.02815	14.0
146.05948	3.3
147.04359	0.9
147.06311	1.0
148.06464	0.6
149.04706	13.0
149.05843	1.1
150.01833	1.8
150.12737	0.6
151.02623	12.0
152.06978	1.0
160.48149	0.4
162.19330	0.4
163.03806	0.9
165.04185	1.9
166.04956	100.0
167.05447	1.0
175.11223	0.8
177.05444	18.6
180.87012	0.5
184.06009	1.1
193.12183	0.8
194.04453	90.3
195.04944	1.0
195.06537	1.9
212.05498	10.1
228.09071	0.5
243.97116	0.5
260.57462	0.5
277.14978	0.6
286.20087	1.9
339.10538	0.8
375.12506	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	374.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	0.4
57.03370	3.3
69.03340	0.7
70.06505	0.7
71.01264	4.0
73.02832	5.2
78.03357	3.0
80.04919	3.1
83.01254	1.4
84.04425	0.5
85.02833	10.1
86.09631	0.6
92.10234	0.7
95.01250	5.8
96.04430	3.3
97.02815	0.8
98.97475	0.5
99.00735	0.6
101.02322	1.7
103.03856	0.6
106.02861	21.1
113.02348	2.8
116.98589	0.7
120.08029	2.9
124.03913	100.0
125.04276	0.4
131.03346	2.3
141.01820	8.3
147.04410	0.8
180.06511	7.6
198.07587	44.8
229.11417	0.4
344.33487	0.4
371.86880	0.5
374.10742	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	374.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43910	0.3
51.73495	0.3
57.03377	2.4
61.02863	0.3
69.03348	0.8
71.01271	3.4
73.02837	5.0
75.04375	0.3
75.05515	0.5
78.03368	3.5
80.04927	3.4
80.90318	0.3
83.01269	0.6
85.02829	9.6
86.09615	0.5
91.87101	0.3
95.01250	6.3
96.04411	3.9
97.02855	0.5
98.97522	0.5
99.00767	0.8
101.02335	1.5
103.03880	1.3
106.02859	21.4
113.02315	3.2
123.00690	0.4
124.03914	100.0
125.04234	0.5
131.03372	2.1
141.01796	8.5
141.36650	0.4
147.04391	0.6
159.02818	0.4
162.05466	0.7
166.43161	0.4
180.06528	7.3
198.07584	41.2
199.07912	0.4
230.85611	0.4
260.45587	0.4
348.79517	0.4
374.10721	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55399	0.2
53.03877	0.2
55.01805	0.5
55.05450	0.2
55.90569	0.2
56.04956	0.2
56.96496	0.4
57.03373	0.4
58.93591	0.2
58.99517	0.5
60.04425	0.2
61.02845	0.9
63.02300	0.3
66.52691	0.2
69.03342	1.9
70.06501	0.5
72.08056	0.5
73.02824	0.4
76.02122	1.8
78.04626	0.3
78.60748	0.2
81.03342	1.2
84.04427	2.1
84.08061	0.5
85.02824	5.3
86.09618	0.5
87.04355	0.3
89.03840	6.6
91.03866	0.3
91.05402	1.0
92.62969	0.2
94.69271	0.2
95.04913	0.4
95.22019	0.2
97.02829	1.9
98.97511	0.4
99.04372	0.3
103.05438	0.3
107.04896	0.5
109.02811	0.5
111.04360	0.3
116.01630	0.8
116.41807	0.2
116.98569	0.4
117.03333	21.6
119.04871	0.9
121.06409	0.8
123.12401	0.2
127.03904	0.5
128.98619	0.3
130.04967	0.5
134.03603	2.3
135.04367	5.1
139.79576	0.2
145.02826	67.1
146.03131	0.9
147.04395	1.4
149.05968	12.4
149.07370	1.3
150.05455	3.5
153.05391	0.4
162.03119	1.2
163.03867	8.0
175.03815	0.4
177.05437	100.0
178.04785	5.1
180.08595	0.3
181.04948	0.3
186.05420	1.2
188.21089	0.2
195.06496	25.4
196.06075	1.0
207.06531	0.4
213.04372	0.3
237.02730	0.5
304.86697	0.2
374.18304	0.4
375.12549	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	374.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	3.9
56.96248	2.0
56.96505	48.7
62.78883	1.9
63.46398	1.5
67.05436	7.6
67.52713	1.7
69.06995	2.9
71.08472	1.5
71.95193	2.0
76.56206	1.6
81.06963	4.4
83.08536	3.1
95.08545	3.5
107.08514	2.3
109.10084	2.2
110.10420	2.1
118.88342	1.9
128.98561	4.1
146.99631	13.4
155.03795	2.3
165.00659	4.0
167.23500	1.9
179.00284	1.8
187.02806	2.8
199.06450	2.6
203.05832	4.0
213.07904	2.2
217.07408	4.3
225.08009	3.9
225.11627	2.5
231.08995	11.7
237.07990	3.2
255.09021	3.4
333.17249	45.1
351.18347	100.0
352.18668	3.9
369.19418	41.3
374.19785	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	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	1.6
53.03880	1.3
55.05444	10.4
57.07017	1.4
62.06021	100.0
65.68170	1.5
67.05424	20.8
69.03365	1.5
69.06992	6.9
71.04889	1.5
71.08531	2.7
71.51910	1.6
72.49493	1.6
79.05408	13.9
81.03336	2.2
81.06984	24.8
83.04903	3.5
83.08537	7.3
83.77537	1.4
84.04427	10.0
91.05421	17.6
92.10941	1.5
93.06982	21.5
95.04904	2.8
95.08535	11.9
97.06487	2.2
98.06007	2.6
99.04384	1.6
99.08012	2.2
102.05527	1.6
105.06973	8.8
107.08542	7.2
109.06496	2.5
109.10098	3.6
111.07996	2.3
117.03381	1.6
117.06956	2.3
119.08527	7.5
121.10097	6.4
123.08015	2.8
130.06483	1.7
131.08524	2.7
133.10104	6.6
135.07970	2.0
140.53934	1.7
145.02876	3.2
147.11594	1.7
148.05960	2.0
149.13283	2.1
157.10156	1.7
161.13226	3.0
171.11658	2.1
175.14890	2.2
177.05411	3.7
189.12732	1.7
238.17982	43.4
239.16385	2.3
256.19028	9.5
302.58365	1.9
306.82587	2.1
320.25745	16.3
338.26721	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	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75975	1.5
55.05455	16.9
56.04962	2.9
56.09524	1.6
56.96505	2.8
57.03374	2.5
62.06019	44.3
67.05422	9.6
69.06981	4.5
70.06516	6.9
71.04922	3.3
72.08054	4.1
74.05978	8.9
76.55698	1.7
79.05402	3.9
81.06981	15.4
82.95166	1.7
83.08546	3.6
84.04414	7.6
88.07551	4.5
91.05376	8.3
93.06953	9.7
95.04899	2.2
95.08516	8.8
97.06446	2.8
100.11185	2.4
102.05440	1.6
105.06925	3.0
107.08516	2.9
109.06444	4.7
109.10084	2.2
113.05939	3.6
114.12717	1.9
116.98624	2.8
119.08557	2.5
121.10085	3.7
123.08007	2.5
130.04918	1.7
135.11615	2.5
138.12743	1.8
145.02797	2.1
158.15378	100.0
159.15750	1.8
167.06967	1.9
169.38885	2.0
177.05402	3.6
177.12677	2.2
236.51857	2.5
238.17938	9.1
245.11078	2.1
320.25955	2.1
338.26782	8.1
374.28983	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	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	9.1
55.05454	10.4
56.96485	1.6
57.03368	1.8
62.06020	100.0
64.50632	1.3
67.05429	20.3
69.07002	8.8
71.08543	2.3
79.05412	10.1
81.06990	20.0
83.04893	3.0
83.08532	4.7
84.04384	1.3
91.05409	10.1
91.40097	1.1
93.06969	16.5
95.04898	4.9
95.08548	9.8
97.06451	5.4
97.10184	1.2
98.24905	1.2
103.91353	1.2
105.06998	9.2
107.08527	8.2
109.06501	2.1
109.10103	2.7
111.08060	1.3
113.06021	1.3
117.06946	2.2
119.08562	4.9
121.10108	4.9
123.08030	2.1
123.49332	1.4
131.08536	2.4
133.10115	1.9
137.05995	2.2
137.09645	1.3
145.10103	1.6
149.13171	1.5
159.11766	1.4
167.07001	1.4
177.05464	5.0
177.12668	1.4
203.51065	1.3
207.07982	2.1
209.08109	1.7
210.18474	1.4
230.00793	1.2
235.07692	2.0
237.00903	1.2
238.17969	64.9
239.16312	6.0
256.02390	1.7
256.19019	11.5
269.02982	1.2
286.03540	7.0
297.93994	1.5
320.25812	15.6
338.26892	8.2
363.19287	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90143	1.1
55.05444	3.3
56.82276	1.0
56.96501	2.0
57.03364	2.8
58.06524	5.3
61.02857	1.3
67.05430	2.6
69.03336	2.7
70.06511	8.3
72.08073	78.0
73.02831	1.6
76.07528	1.6
81.03326	3.2
81.06966	8.2
84.04421	3.3
84.08057	6.7
85.02825	10.9
86.09616	7.1
89.03829	1.2
91.05383	6.8
92.10962	1.4
92.60527	1.3
95.04871	1.9
97.02807	2.3
98.97473	2.5
105.03342	15.2
105.06967	3.1
106.03688	10.8
107.08513	1.3
111.04288	1.3
112.11204	2.7
116.98563	1.9
117.03327	3.3
119.08527	3.0
127.03885	1.9
130.08522	1.3
133.10115	1.5
134.99654	2.0
145.02844	13.4
146.05991	3.0
146.99681	2.1
147.04469	1.9
147.06281	2.1
147.11681	10.1
149.05933	2.1
150.05479	1.5
157.10078	1.9
163.03860	5.6
175.11107	3.3
177.00690	1.3
177.05440	22.5
194.04420	1.9
195.06589	2.4
224.20164	10.2
226.18004	12.2
237.02692	2.3
250.17944	2.1
254.33528	1.4
267.20691	1.6
268.18906	2.2
286.20078	55.0
286.51459	1.4
287.90561	1.5
303.22684	1.8
357.27396	17.3
374.25455	1.8
374.30078	40.5
375.12540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1067
Annotation	Eriostemin
Peak:m/z	Relative Intensity
63.93853	0.5
64.32538	0.5
75.87729	0.5
84.04430	0.7
92.10545	0.7
97.06453	0.9
108.02045	11.9
135.04324	0.9
136.01521	1.1
137.02351	2.6
139.89471	0.7
140.44879	0.7
147.04335	1.0
154.02574	9.7
163.03836	6.3
166.18008	0.6
169.06409	2.5
178.06201	50.8
179.06992	11.0
181.04919	8.4
183.02884	0.7
183.04321	0.8
187.07431	0.9
197.05945	5.1
200.04744	0.6
211.03836	0.7
213.05447	1.1
215.07065	1.3
225.05421	3.9
227.07036	1.1
228.03824	0.9
232.21004	0.6
243.06509	6.1
253.04924	1.2
255.06422	1.3
257.04242	0.8
269.04224	0.9
270.05255	2.7
270.96216	0.7
271.05923	0.9
286.08182	7.8
298.04626	4.0
299.05460	3.7
314.07761	78.0
315.04810	1.2
317.06534	2.3
326.04147	4.5
331.08118	1.3
342.07254	69.6
343.08090	1.1
344.05011	1.2
345.06042	2.3
359.07544	13.1
360.08310	23.5
375.10651	100.0
376.10751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1261
Annotation	Dercitamide
Peak:m/z	Relative Intensity
51.27305	0.4
55.05436	0.5
56.96487	0.9
58.06532	0.6
60.36546	0.4
67.05421	0.7
69.03339	2.1
70.06514	2.5
72.07717	0.7
72.08076	12.8
81.06969	0.6
84.04446	0.6
84.08049	0.7
85.02817	3.0
86.09634	1.9
91.05405	1.0
97.02840	1.2
98.97512	0.7
105.03333	1.9
107.04916	1.1
107.08515	0.5
112.11180	0.7
116.98553	0.8
119.08548	0.6
127.03843	0.8
137.05945	2.7
145.02859	2.1
146.03217	1.1
177.05420	1.9
177.08983	0.6
178.04739	0.6
179.06873	0.8
188.76590	0.5
213.11235	0.9
214.04726	1.0
224.20053	0.8
226.17989	1.9
237.02754	1.0
286.20093	6.8
287.20395	1.2
303.42825	0.5
344.20456	0.5
357.27145	1.0
358.27856	0.6
374.30219	4.8
375.12537	100.0
375.30417	2.3
376.09265	1.0
376.13086	2.7
397.21051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44737	3.7
61.03962	5.1
69.03324	6.2
70.06507	6.5
72.08073	18.7
76.27242	4.8
79.61230	3.8
84.04449	6.2
84.08075	7.5
85.02817	11.5
97.02863	10.3
114.36945	5.2
116.98564	4.3
118.06487	17.0
123.18628	5.0
127.03849	4.6
127.16200	4.9
130.06522	49.4
130.69545	4.3
140.03401	6.2
142.06464	4.5
143.06042	19.6
144.08092	7.7
146.05997	43.9
147.05498	7.7
155.05991	8.1
157.07605	24.1
159.09207	5.2
167.07257	7.2
171.05515	31.2
173.07071	8.1
188.07068	32.5
203.08276	8.4
205.09547	5.1
243.09198	11.8
245.10704	6.6
255.09164	7.3
256.09903	19.1
257.08286	9.9
257.10690	28.8
258.10284	6.4
259.08627	10.0
261.10300	9.2
269.10614	21.0
271.08701	8.9
272.09241	18.9
272.11856	10.2
273.10172	23.1
274.09430	7.0
284.11838	22.3
285.10214	45.1
286.09888	21.6
287.11548	8.8
296.09225	9.1
297.10074	8.0
299.10464	25.9
300.11264	72.6
301.11972	50.5
302.12793	39.7
312.11044	10.3
313.09247	5.8
314.12741	22.0
319.16510	5.2
329.14157	5.7
330.12268	42.8
331.11325	5.9
331.15305	6.4
358.11697	20.5
375.14420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44737	3.7
61.03962	5.1
69.03324	6.2
70.06507	6.5
72.08073	18.7
76.27242	4.8
79.61230	3.8
84.04449	6.2
84.08075	7.5
85.02817	11.5
97.02863	10.3
114.36945	5.2
116.98564	4.3
118.06487	17.0
123.18628	5.0
127.03849	4.6
127.16200	4.9
130.06522	49.4
130.69545	4.3
140.03401	6.2
142.06464	4.5
143.06042	19.6
144.08092	7.7
146.05997	43.9
147.05498	7.7
155.05991	8.1
157.07605	24.1
159.09207	5.2
167.07257	7.2
171.05515	31.2
173.07071	8.1
188.07068	32.5
203.08276	8.4
205.09547	5.1
243.09198	11.8
245.10704	6.6
255.09164	7.3
256.09903	19.1
257.08286	9.9
257.10690	28.8
258.10284	6.4
259.08627	10.0
261.10300	9.2
269.10614	21.0
271.08701	8.9
272.09241	18.9
272.11856	10.2
273.10172	23.1
274.09430	7.0
284.11838	22.3
285.10214	45.1
286.09888	21.6
287.11548	8.8
296.09225	9.1
297.10074	8.0
299.10464	25.9
300.11264	72.6
301.11972	50.5
302.12793	39.7
312.11044	10.3
313.09247	5.8
314.12741	22.0
319.16510	5.2
329.14157	5.7
330.12268	42.8
331.11325	5.9
331.15305	6.4
358.11697	20.5
375.14420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83424	6.6
54.81864	7.4
56.39429	6.8
56.96501	13.2
66.21462	7.8
66.74444	7.0
69.03353	29.9
70.06509	42.1
72.08071	8.2
74.78549	8.0
75.34608	6.5
81.03326	7.8
84.04426	7.6
84.08068	10.7
85.02834	43.5
86.09604	8.6
91.05424	10.8
97.02825	16.7
106.02903	7.7
107.04916	6.6
116.98573	10.7
119.04931	8.2
127.03870	13.4
130.06476	15.0
134.99588	8.7
146.99768	8.0
147.04376	12.3
156.04947	8.0
162.05502	17.1
166.39536	8.1
182.90918	7.5
282.02841	56.7
286.02069	14.4
376.10059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1001
Annotation	4-HADNT O-glucoside
Peak:m/z	Relative Intensity
56.04948	0.7
56.96499	1.1
60.04435	3.6
70.06480	2.0
72.08084	0.9
82.48441	0.8
84.04424	1.0
85.02798	5.2
86.09624	1.3
86.27132	0.8
91.05362	1.2
93.06889	1.0
94.57317	0.8
95.04874	1.5
96.04165	0.8
114.05621	1.1
123.07959	1.0
124.12127	1.0
124.61037	1.2
130.06493	10.6
131.06813	1.1
133.10045	1.5
137.05948	1.2
146.05898	1.0
165.06352	0.9
166.04872	1.8
167.05304	1.1
177.05334	1.5
196.04861	0.9
197.08049	2.2
214.04716	100.0
215.05017	1.8
246.37123	0.9
271.06149	1.0
358.21857	1.4
375.12289	8.4
376.09726	72.1
377.10037	1.4
399.91855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78683	3.3
53.92617	3.7
54.81498	3.5
54.95710	3.7
55.71711	3.5
65.74078	3.7
69.17329	3.7
70.06490	7.2
72.08054	6.5
76.02117	4.4
84.04436	5.0
85.02808	6.4
86.27390	4.6
90.93951	3.6
98.97543	4.7
114.36251	4.6
116.98607	6.7
134.99632	4.9
266.79242	4.3
282.02829	14.0
288.92249	7.9
306.93140	4.8
376.09909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01533	0.7
51.25041	0.6
53.98414	0.6
56.96243	1.2
56.96501	30.4
57.32486	0.6
71.95174	3.9
72.95953	1.0
74.97514	1.4
78.75566	0.7
82.96527	0.7
84.95957	1.2
92.10297	1.7
110.97513	3.3
115.97780	1.1
123.01093	1.0
128.98544	11.2
131.32080	0.8
133.98799	1.0
146.99629	16.2
151.69899	0.9
161.01164	1.9
165.00623	4.4
175.02788	1.1
179.02296	2.9
189.04373	2.9
203.05797	1.0
263.09604	1.3
277.11023	1.8
281.10721	0.9
317.17715	22.3
333.17255	3.4
335.18857	100.0
336.19165	4.8
353.19888	35.8
354.20129	3.0
358.20361	3.9
371.20941	1.0
376.21378	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92912	1.9
56.96499	44.5
57.06025	2.0
67.05418	2.3
69.06967	2.1
71.95157	2.3
92.10900	4.5
103.43430	2.3
128.98605	13.5
133.98846	2.9
141.55678	2.1
146.99634	23.5
165.00758	8.1
189.04247	3.5
263.09448	3.4
317.17551	22.2
335.18799	100.0
336.19345	3.6
353.19833	55.3
358.20364	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	376.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96503	72.0
57.07006	1.5
64.95549	1.4
71.95173	6.5
72.95959	2.3
74.97517	2.7
80.94772	3.2
88.07538	1.8
88.11133	1.3
90.73647	1.2
92.10884	3.9
94.67703	1.5
99.04408	1.5
116.11572	1.3
123.01185	2.1
128.98573	2.7
133.98775	1.7
141.02206	2.6
146.99615	7.5
150.11284	1.9
155.03804	5.2
173.04999	1.4
183.06955	2.2
189.04442	1.8
189.07947	5.6
207.08972	2.4
213.07950	1.9
217.07423	1.7
231.09024	16.4
239.09459	9.7
241.11009	7.7
245.10532	5.9
253.11002	15.0
257.10538	18.1
259.12131	16.1
268.26871	1.5
269.10538	12.4
271.12122	18.9
276.12518	1.7
287.11539	10.9
304.72202	1.5
305.17828	1.8
323.18741	7.6
335.18823	25.4
341.20172	1.7
353.19894	100.0
354.20071	4.9
371.20892	19.7
372.20993	1.4
375.36478	3.2
376.21704	10.3
376.31467	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96503	78.0
59.99090	0.9
66.66188	1.2
70.06496	1.5
71.08562	1.5
71.53549	1.1
71.95184	7.6
72.95957	2.3
74.97518	1.9
80.94753	4.8
84.95948	1.4
88.07555	2.6
95.08527	2.1
97.15205	1.2
97.65895	1.1
110.97552	1.1
115.00603	1.1
123.01151	2.1
128.98570	2.2
129.03995	1.4
132.10181	2.0
133.01761	2.3
133.98859	1.1
134.00986	1.3
137.02715	1.7
141.02223	1.3
142.53220	1.1
146.99623	10.7
149.70215	1.1
150.11198	1.6
155.03798	5.9
159.03297	1.6
165.00688	2.2
165.12610	1.2
169.05394	2.5
173.04865	1.9
183.06783	1.6
185.51895	1.1
187.06413	1.6
189.07939	4.6
199.06506	1.7
207.09019	4.7
213.07994	4.6
221.10442	1.5
225.08014	1.9
227.09471	1.7
231.08994	13.0
239.09410	10.3
241.11079	7.0
243.08963	2.4
245.10550	6.6
251.09488	1.3
253.11017	16.4
257.10498	16.0
259.12152	14.7
269.10516	13.4
271.12106	20.7
287.11639	8.3
305.17682	1.4
317.18073	1.5
323.18771	8.9
335.18814	26.1
341.19888	1.7
353.19904	100.0
354.20251	2.3
371.21042	14.8
375.36548	12.6
376.21405	9.8
376.31921	1.6
376.36649	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54737	1.9
54.83112	2.4
55.05435	2.6
56.96502	60.5
57.07010	15.2
61.74398	2.1
67.05439	2.4
71.08528	3.1
71.95184	6.0
79.97192	2.3
92.10896	6.9
93.96814	2.7
128.98608	3.0
132.45227	2.9
139.99496	2.3
140.67780	2.2
146.99652	14.9
189.04314	2.5
194.51147	2.4
199.02724	3.2
199.06427	3.2
203.05899	10.6
213.08026	16.8
217.07422	6.1
229.07396	9.5
231.08974	35.6
247.08528	14.0
259.08206	3.5
261.10059	3.3
292.83365	3.0
295.18356	2.6
323.18893	2.9
335.18793	41.4
353.15530	4.1
353.19910	100.0
371.20978	13.3
375.36395	5.4
376.21329	10.9
376.37015	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	376.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71668	1.2
55.05437	3.2
59.04898	1.3
61.56533	1.3
67.05422	12.9
69.06977	1.7
71.08543	9.8
77.00810	11.2
79.05395	3.1
81.06976	7.5
83.08556	2.5
91.05404	1.9
93.06971	2.9
95.01878	14.8
95.08516	6.1
97.10083	2.6
99.07993	2.2
107.08515	2.8
109.10104	12.0
119.08455	1.6
121.10030	1.9
135.11621	1.9
162.55444	1.5
165.33003	1.5
173.11739	3.2
183.08565	1.7
191.11324	1.6
201.09688	17.7
203.11241	1.7
213.09570	2.2
215.11208	2.6
217.10648	1.7
219.10722	20.8
221.10159	2.0
227.11188	7.1
233.12334	1.8
239.11174	14.8
241.12770	2.2
243.14328	2.8
245.12262	9.5
257.12271	36.3
269.12344	2.3
307.21143	2.1
317.19501	7.9
325.22308	2.1
335.20935	100.0
336.20776	6.2
353.21622	76.1
354.21866	2.5
358.22311	1.7
376.23099	1.5
390.66281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	0.5
57.07013	90.9
58.07330	0.7
60.21048	0.4
61.00251	0.4
65.00385	0.5
67.05425	0.7
81.06989	0.6
83.08595	0.5
93.06983	0.7
96.48422	0.5
102.09113	0.5
108.04391	0.7
124.08651	0.8
125.07074	11.6
126.05476	8.4
134.07153	0.6
191.11836	2.0
208.14417	4.6
209.12819	21.2
210.11243	0.9
213.39459	0.5
213.41808	0.5
218.12848	6.4
219.11163	4.4
255.21083	0.6
260.15207	2.5
274.19080	0.7
275.17456	15.9
288.92734	0.5
292.20139	13.7
293.18494	13.4
302.18585	25.8
358.24933	2.6
376.25876	100.0
377.26144	3.7
377.72162	0.5
394.27042	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	376.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73253	4.0
55.05450	44.1
59.89173	5.1
60.90833	5.2
67.05430	73.4
69.06985	33.6
71.04919	13.2
71.08561	7.1
78.34239	5.0
79.05407	35.4
81.06978	100.0
83.04916	9.3
83.08543	24.4
91.05408	10.9
93.06968	40.6
95.04957	5.1
95.08523	97.8
97.06459	12.0
97.10076	7.6
99.08027	9.5
105.06977	8.8
107.08552	31.9
109.10094	39.8
119.08540	8.6
121.10107	30.0
135.11662	24.9
138.88144	5.3
144.08032	7.5
145.10101	7.9
147.39244	5.2
223.16913	39.9
273.95908	5.8
305.24658	26.6
323.25690	14.1
335.20602	13.1
376.24747	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	376.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96163	1.0
54.50571	1.1
57.06993	1.4
57.49863	1.1
60.58885	1.0
78.94646	1.3
88.07505	1.5
95.10079	1.2
112.83134	1.2
126.60100	1.3
143.22647	1.5
206.31506	1.2
313.32858	6.1
314.33255	1.8
375.36456	2.7
376.31772	100.0
376.36298	3.9
389.01749	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57456	0.5
50.97630	0.5
52.51965	0.5
53.03876	0.6
54.81250	0.6
55.01814	0.5
55.05462	0.7
56.92929	0.5
57.06997	3.6
67.05424	1.1
69.06958	0.7
71.08540	2.5
80.69857	0.6
81.06959	0.9
91.05400	6.4
91.05862	0.6
93.06978	11.4
95.04885	3.6
95.08488	2.2
103.05392	6.3
121.06455	100.0
122.06790	1.1
138.09114	9.3
161.31482	0.7
224.71445	0.7
226.99742	0.6
253.84329	0.6
273.19788	0.7
274.98532	0.7
312.97635	0.6
371.75278	0.7
376.31827	61.2
377.32239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93461	1.8
64.05070	1.9
64.30972	2.0
68.02489	2.5
68.97902	2.0
69.06990	11.9
71.08553	4.1
86.09634	100.0
86.10173	3.4
95.08587	2.5
97.94392	2.2
100.46099	2.5
112.07545	11.1
149.59254	2.3
190.63409	2.4
203.90781	2.3
249.79147	2.6
278.24957	4.1
365.92703	2.5
376.32166	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93657	1.4
51.32724	1.8
56.96492	22.5
61.01098	1.7
64.33504	1.8
84.95937	12.9
86.09634	3.1
98.97502	87.4
102.96964	1.9
110.97511	4.6
112.99055	7.3
116.98554	70.0
119.22768	1.9
128.98587	15.0
131.00122	16.1
131.12173	1.8
134.98714	3.1
134.99625	44.6
146.99602	16.0
147.03223	7.2
149.01166	17.4
153.00668	4.3
156.86267	1.9
158.99603	28.7
161.01146	2.5
162.99071	7.6
163.02776	4.1
165.04309	12.2
167.02213	2.8
170.99628	3.6
173.01161	4.4
177.00653	54.7
189.00723	2.3
189.04297	9.6
191.02226	11.4
193.03770	2.3
195.01720	7.8
201.00700	2.2
207.05342	10.7
219.01700	16.8
231.05428	2.3
237.02721	51.5
249.06422	3.6
255.03844	2.7
288.92178	2.3
291.07404	21.8
300.44690	2.0
307.80090	2.2
309.08481	100.0
333.08490	10.0
351.09494	19.5
377.08401	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	377.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36826	1.8
53.71745	1.8
54.81691	2.0
55.53756	1.9
60.54561	1.9
70.06500	3.1
107.87093	2.2
130.75754	2.6
158.94464	2.3
192.52986	2.0
266.36746	2.3
285.90207	2.5
377.08340	100.0
390.18411	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	377.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82595	3.0
56.96238	5.8
56.96503	100.0
57.07006	27.2
64.18404	3.2
67.05423	4.7
69.06984	3.9
71.08546	3.9
71.15294	3.6
71.95066	4.1
84.39568	3.5
86.09570	4.2
90.63409	3.6
92.10996	8.7
95.08504	5.5
134.99634	9.1
147.03278	9.3
149.02376	4.7
149.04845	24.2
149.05966	4.2
152.35309	3.9
156.52048	4.0
158.15678	3.7
167.05914	18.1
167.84120	4.3
170.99005	7.7
172.95204	4.5
172.98801	4.7
189.00110	23.2
190.00191	5.0
190.99913	4.0
197.01205	35.6
215.02223	61.9
227.01564	7.2
228.01634	3.8
238.04004	4.8
241.00101	20.2
253.07379	18.9
271.08475	47.6
297.06375	58.3
315.07498	7.0
331.29395	4.5
339.07391	6.1
353.25537	4.6
379.77637	4.4
395.13867	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	377.1453
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.00238	0.6
53.03898	4.3
53.04119	0.6
55.01820	1.1
56.96507	0.6
57.03376	14.6
59.04919	0.9
61.02862	7.4
69.03355	25.2
70.06509	3.2
71.01279	4.3
71.04916	5.7
72.08086	1.2
73.02826	4.6
73.24597	0.5
75.04398	4.2
78.89105	0.5
81.03349	4.9
84.04436	1.2
85.02845	0.7
88.73413	0.5
89.03825	0.6
91.05416	2.7
99.04387	6.9
101.51747	0.6
101.96746	0.6
103.05392	0.7
117.03287	0.9
117.05414	1.0
119.04903	1.1
145.02808	1.1
145.07593	3.6
147.04422	4.8
157.06296	1.0
170.07112	3.0
172.08667	60.3
173.08980	1.2
174.10216	1.4
175.08582	1.1
177.05467	0.9
186.10251	1.1
190.09775	3.8
198.06616	9.3
200.08159	6.6
214.09813	0.9
216.07666	36.3
217.08025	1.3
218.09254	2.8
229.08459	0.7
243.08731	100.0
244.07028	1.1
244.09209	1.2
316.12781	1.0
319.93805	0.6
359.13367	3.3
377.14499	87.3
378.15048	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	378.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20626	1.0
53.03895	1.7
54.27614	1.1
59.01661	1.2
60.04446	5.6
61.02848	1.6
64.50481	1.2
64.63879	1.3
65.81174	1.3
67.05430	1.4
69.03358	2.7
70.06502	9.3
84.04425	2.1
84.08055	2.2
85.02818	6.2
95.04901	26.8
97.02819	2.1
100.11195	6.1
106.64358	1.4
107.04897	1.8
119.01871	2.0
123.04385	18.1
125.02312	3.2
130.06471	1.8
132.08066	1.5
135.08095	1.8
137.05948	3.1
140.04665	100.0
143.01842	1.5
153.05446	5.0
155.07025	28.5
161.02950	2.0
162.03021	1.8
167.03378	1.6
173.07993	2.4
181.04936	7.4
199.05997	33.5
223.03799	1.8
227.17450	2.3
249.15767	2.5
290.11356	1.4
291.68527	1.4
344.29868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11172	0.2
54.81376	0.3
55.01801	0.5
55.05455	3.7
56.96506	0.4
57.03385	0.5
58.68865	0.3
60.04433	0.5
61.02829	0.4
61.78883	0.3
67.05426	3.7
69.03341	0.6
69.06982	4.2
70.06516	2.8
71.04890	0.7
71.06849	0.3
72.08055	1.9
73.02828	4.6
74.05961	0.4
79.05413	7.4
81.03321	0.3
81.06972	4.0
82.06507	0.6
83.04902	2.6
84.04418	1.5
84.08077	0.4
84.53342	0.3
85.02826	1.2
85.06461	0.6
86.09619	0.4
86.88686	0.3
91.05403	26.6
92.37395	0.3
93.06978	6.5
95.04906	3.5
95.08527	0.4
97.02800	0.6
97.06464	0.5
103.05393	0.3
105.06970	24.6
107.04900	1.6
107.08527	2.9
109.06458	5.1
109.10110	0.4
112.26819	0.3
117.06935	0.3
119.04893	2.1
119.08532	4.7
121.06438	0.4
121.10128	0.4
123.11646	0.3
125.05949	3.5
127.07515	0.4
129.06950	0.5
130.04932	0.4
131.08527	9.7
133.10092	100.0
134.10423	1.5
134.99719	0.3
135.11665	0.4
137.05972	2.8
145.02843	0.6
145.10069	0.6
147.04362	5.4
147.11667	9.4
151.07544	1.1
151.11150	8.2
155.06999	1.5
157.10150	1.1
163.03879	1.2
165.09073	0.4
165.12764	0.7
175.11137	5.1
177.05437	0.5
185.04181	2.2
193.12195	22.3
211.13252	5.9
286.14172	0.3
312.77429	0.4
335.22937	0.3
379.09903	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	378.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	0.4
55.05449	2.2
57.03358	0.3
61.02847	0.6
63.96907	0.2
67.05431	2.7
69.03333	0.3
69.06985	2.0
71.04900	1.4
73.02835	5.0
79.05410	6.5
79.96051	0.2
81.06980	2.1
82.59615	0.3
83.04887	2.2
83.77341	0.3
85.02829	0.5
85.06483	0.3
86.10594	0.3
91.05404	23.3
93.06968	4.6
95.04903	2.0
105.06973	23.6
107.04878	1.4
107.08527	1.6
109.06466	2.3
109.10157	0.4
117.06931	0.3
119.08538	4.8
125.05944	4.0
129.06987	0.6
131.08536	9.9
133.10092	100.0
134.10448	1.8
137.05942	1.7
145.10074	0.5
147.04420	1.5
147.08012	0.4
147.11673	7.8
151.07529	0.6
151.11140	4.5
155.07004	0.7
157.10062	1.2
165.09019	0.5
169.09869	0.3
175.11108	6.3
193.12209	23.6
211.13268	3.4
244.08795	0.3
247.13506	0.3
271.31223	0.3
307.15155	0.3
325.16171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	12.8
55.05443	10.7
55.13606	2.6
59.09629	2.4
67.01778	16.5
67.05421	15.9
68.58114	2.7
69.03350	5.2
76.67398	2.5
79.05400	12.2
81.03323	6.6
81.06979	10.7
83.04910	26.4
83.08509	3.1
84.08062	3.6
86.09624	40.8
91.05389	17.8
93.06956	15.1
94.24956	2.9
95.04885	15.8
95.08533	27.4
95.50035	2.7
95.81800	2.7
103.05372	3.2
105.06955	13.0
107.04890	17.4
107.08545	7.1
108.05626	3.5
114.27948	2.7
115.05411	4.2
115.46066	3.5
117.06966	44.7
119.08517	13.6
121.06436	4.3
121.10094	4.8
123.07140	3.5
123.08020	100.0
125.09557	17.8
129.06944	4.6
131.04906	10.3
131.08524	16.9
133.06450	32.7
135.07996	16.2
143.08524	4.4
145.06451	26.6
145.10106	16.6
147.08026	11.0
149.09621	5.6
151.07523	48.6
155.08542	3.7
159.08093	10.4
159.11635	23.0
163.07472	3.3
166.07655	3.8
168.09267	5.4
172.08742	3.4
173.09431	4.4
173.13223	13.7
175.11107	15.3
177.12717	6.2
181.10092	11.9
183.11659	11.7
191.14253	4.9
201.09067	16.8
201.12692	55.7
203.14297	6.7
219.13719	41.0
229.12212	68.9
247.13200	29.5
265.14532	4.7
314.21069	19.1
332.22192	11.0
360.21606	43.0
371.31094	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	378.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	6.9
55.05453	6.3
59.20413	3.3
61.08036	3.2
67.05424	14.6
69.06988	19.9
79.05399	29.7
81.06986	17.2
84.20026	3.7
86.09627	34.1
91.05413	21.8
93.06973	15.6
95.08536	21.4
105.06976	28.3
107.04904	15.3
107.08553	20.8
110.07130	7.6
111.08063	4.0
117.06951	36.3
119.08517	20.2
121.06495	8.4
121.10096	4.2
123.07999	13.4
129.06932	5.4
131.04996	4.8
131.08543	50.9
133.10101	7.6
135.07997	8.1
142.07848	4.6
143.08554	18.5
144.09305	5.6
145.02797	4.9
145.06445	5.9
145.10106	100.0
155.08545	20.8
157.10132	8.6
158.10893	8.3
159.08102	7.8
159.11681	60.8
160.23917	3.8
170.50699	3.6
171.08070	3.8
173.09557	31.8
173.13235	46.0
177.12616	7.4
183.11664	9.0
187.11165	17.8
197.03075	4.4
200.19527	4.0
201.09077	46.4
201.12703	51.3
206.78165	4.2
219.13779	19.3
229.12221	36.0
247.13309	38.7
314.21060	23.1
360.21527	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	378.2273
Annotation	Isariotin E
Peak:m/z	Relative Intensity
52.09544	1.2
53.03883	7.8
55.01812	1.9
55.05449	3.3
56.44323	1.1
59.88165	1.1
67.01788	15.3
67.05429	10.4
67.78135	1.1
69.03346	7.9
69.06989	15.4
69.28189	1.1
73.65028	1.2
74.02367	1.6
79.05394	14.8
81.03333	10.2
81.06971	9.2
83.04896	21.7
86.09626	50.4
91.05415	14.3
92.10867	1.3
93.06966	9.1
95.04900	15.8
95.08540	28.1
97.06425	2.4
103.05416	1.5
105.03320	9.0
105.06971	17.6
107.04929	16.1
107.08553	11.1
109.06470	3.4
109.10066	2.8
115.05386	3.3
117.06970	37.8
119.00343	1.4
119.08536	12.2
121.06454	6.8
121.10143	2.3
123.08023	100.0
124.08372	1.8
125.09600	15.8
125.32565	1.4
129.06955	6.6
130.08630	2.0
131.04921	9.1
131.08560	20.5
132.10155	5.5
133.06474	31.7
133.10117	6.6
135.08022	16.6
137.09523	1.8
141.07025	3.2
142.24010	1.5
143.08531	6.5
145.06459	24.5
145.10101	20.3
147.07993	6.4
149.05974	1.5
149.09569	8.3
151.07518	43.7
155.08508	3.3
157.10077	5.8
159.08014	16.8
159.11670	22.8
161.09576	2.5
163.07561	2.2
166.07724	1.8
168.09294	5.6
171.07968	2.3
172.08792	1.9
173.05952	1.9
173.09596	10.7
173.13243	14.3
175.11118	22.0
177.12761	12.7
181.10057	10.3
183.11607	9.9
187.11084	2.5
191.10617	1.6
191.14365	2.7
201.09093	21.7
201.12724	65.3
203.14352	10.7
211.11102	2.4
219.13766	38.7
229.12199	69.0
230.12643	1.6
247.13216	24.1
265.14270	8.0
286.21582	2.5
314.21094	28.6
332.22116	18.0
342.20520	2.8
360.21680	39.7
361.21887	1.5
378.22482	11.2
386.28174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83061	2.1
53.03881	9.4
53.16005	1.9
67.05423	11.9
69.03353	3.8
69.06994	18.2
79.05410	13.2
81.03339	3.7
81.06972	15.3
83.04848	2.5
85.06469	12.7
90.40140	2.1
91.05408	15.8
92.10845	3.7
93.06971	9.6
95.04897	3.8
95.08527	4.2
103.05402	4.3
105.03360	3.3
105.06987	21.7
107.04905	22.3
107.08526	3.9
109.06490	2.9
110.07119	3.0
115.05445	3.0
117.06980	28.0
119.08511	20.5
121.06481	3.5
121.10134	4.2
123.08012	4.5
128.06174	2.9
129.06956	11.7
131.04889	4.9
131.08539	41.8
133.10080	9.5
135.07996	3.4
141.07004	3.8
142.07831	4.2
143.08513	12.7
144.09308	10.8
145.06381	2.9
145.10114	20.5
147.04367	2.6
147.07999	4.7
155.08560	4.4
157.10106	9.0
158.10905	15.3
159.08102	8.1
159.11664	70.7
168.09334	5.0
169.09839	2.4
171.08008	15.4
172.08794	4.8
173.09576	5.2
173.13261	44.1
183.11636	11.0
185.09622	3.8
186.10307	8.3
187.11168	35.4
201.12718	41.3
211.11198	3.2
219.13745	2.9
229.12225	51.1
230.35568	2.3
247.13266	100.0
382.29849	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	378.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	0.7
53.03876	1.1
55.05221	0.6
55.05454	12.1
56.04964	2.8
56.96498	0.7
57.07010	5.4
58.06520	2.8
62.14025	0.6
65.03850	0.9
67.04170	0.7
67.05428	16.7
69.06995	11.9
69.45111	0.6
70.06509	4.8
71.08529	1.0
72.08067	2.4
79.05405	13.4
80.04475	1.1
80.04929	22.3
81.05708	5.3
81.06976	11.8
82.06502	13.6
83.08532	3.5
88.07545	3.1
91.05405	22.1
93.05710	4.8
93.06967	11.1
94.06495	100.0
95.04890	3.4
95.07259	4.9
95.08537	8.2
96.08054	6.1
97.10053	0.9
98.97498	3.0
105.04418	0.8
105.06973	14.5
106.06486	2.5
107.07234	2.1
107.08504	3.6
108.08054	6.4
109.10104	2.5
111.15213	0.7
116.98549	2.9
119.08541	10.4
120.08035	1.3
121.08856	1.3
121.10078	3.4
122.09632	4.6
131.08496	0.9
132.10159	5.5
133.10074	5.0
134.99619	1.4
135.01074	0.6
135.10461	0.6
136.11163	1.5
161.81238	0.6
165.58421	0.6
174.82312	0.6
209.15825	0.7
234.22083	1.1
237.02730	1.0
242.24738	1.3
245.22636	1.4
260.23669	4.3
262.25241	64.4
263.25522	1.5
286.27304	5.0
338.19244	7.3
355.23257	0.7
360.22769	3.3
378.23709	0.7
378.32004	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	378.3
Annotation	Madangolide
Peak:m/z	Relative Intensity
55.05455	11.2
56.96510	0.4
57.05755	0.7
57.07002	0.6
60.99337	0.3
67.05425	5.7
69.06986	2.3
69.84278	0.3
71.08551	0.4
72.08071	100.0
79.05402	6.5
81.06981	5.9
83.08533	0.5
87.89352	0.3
91.05403	3.6
93.06979	6.6
93.60728	0.3
95.04914	0.6
95.08543	4.7
105.06990	2.3
107.08549	3.6
109.10092	2.3
117.06993	0.4
118.08605	25.8
119.08527	0.8
119.22797	0.3
121.10101	1.9
131.08533	1.4
133.10118	0.8
135.11684	1.7
145.10117	1.4
149.13300	0.4
159.11606	0.5
238.67122	0.3
261.22235	1.5
332.29504	1.5
347.49176	0.5
355.21350	0.4
355.63889	0.4
377.31912	0.6
378.33475	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	378.3
Annotation	Madangolide
Peak:m/z	Relative Intensity
51.00941	0.4
53.00230	0.6
54.01019	0.6
55.01817	0.6
55.05453	3.4
55.15650	0.4
57.07008	2.0
58.90718	0.4
67.05430	5.3
69.06989	4.1
70.02879	2.0
70.06506	11.1
71.04939	0.4
71.08556	6.6
72.08050	0.5
79.05411	3.7
80.41357	0.4
81.06976	6.9
83.08532	1.9
85.06461	0.8
86.06001	2.1
88.07556	100.0
91.05402	0.7
93.06988	6.4
95.04894	2.0
95.08544	6.2
97.06477	0.9
99.08011	3.0
105.06979	2.2
107.08562	2.9
109.06467	6.2
109.10122	2.2
114.05503	3.5
119.08531	2.2
121.10072	1.0
123.11639	0.6
130.11493	0.5
131.08525	0.7
133.10104	0.9
159.11542	0.5
164.38551	0.5
165.12711	13.9
175.14828	0.9
179.14259	0.8
231.71416	0.5
280.22702	4.7
291.23111	9.4
295.40735	0.5
360.28711	0.6
378.29950	32.1
379.30075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	3.0
57.07016	2.1
66.62780	1.7
67.05423	22.8
69.06995	4.1
69.56348	1.7
70.06510	100.0
72.26951	1.7
74.02339	13.8
78.02662	2.2
79.05386	4.2
81.06985	24.2
83.08547	2.2
91.05427	3.8
93.06974	4.6
95.08517	15.6
107.08524	2.5
109.10101	4.2
115.08654	2.3
116.07043	79.5
129.07011	2.3
245.22310	2.1
263.23734	2.6
378.29807	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	378.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10532	0.7
52.02144	0.7
52.34788	0.7
53.00240	0.9
55.05457	1.0
57.07008	13.4
58.06524	4.3
61.35524	0.9
67.05424	1.9
70.06145	1.6
70.06509	45.1
71.08543	2.0
72.08057	5.8
75.93621	0.9
79.05390	1.7
81.06959	1.9
84.08067	6.5
86.09602	9.5
88.07546	4.5
89.05948	3.9
91.05405	1.0
92.10837	1.1
93.06979	1.4
105.06945	0.8
107.08540	1.4
109.10081	1.6
114.09113	4.3
116.98588	1.4
132.10164	13.5
133.06525	0.9
146.11736	16.0
176.12753	1.7
184.20551	5.4
186.40324	1.0
190.14330	1.8
210.22118	4.3
228.23207	2.0
257.20142	1.0
257.22607	1.4
258.80408	1.0
272.25778	68.8
273.26059	3.4
316.28372	29.7
317.28851	1.2
323.02332	0.9
327.59048	0.9
378.32043	100.0
379.26718	0.9
379.32434	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	7.3
57.07007	1.9
63.37164	1.5
67.05424	3.9
67.79043	1.3
69.06989	8.9
71.08190	2.9
71.08546	53.5
72.53933	1.8
74.55041	1.6
76.13496	1.6
77.39812	1.5
79.04009	1.6
79.05386	4.3
81.06974	13.5
88.11191	100.0
88.11731	3.9
91.05412	1.9
93.06960	9.6
95.08522	8.4
97.97273	1.8
99.08015	3.1
105.06957	2.3
107.08511	7.9
109.06438	8.0
109.10102	3.6
110.80925	1.7
119.08532	3.9
133.10185	2.5
135.84813	1.6
165.12715	8.4
176.73901	2.0
280.26312	7.1
291.23108	9.0
300.04260	2.0
378.33551	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	379.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	5.5
57.03376	0.9
67.05420	5.2
69.06976	4.9
70.06489	1.9
71.04916	0.9
72.08070	7.4
73.02835	6.0
79.05415	7.7
80.89937	0.8
81.06960	4.4
83.04896	4.3
84.04413	3.2
84.08039	1.2
85.02805	1.5
91.05402	31.6
92.05732	5.2
93.06972	9.3
95.04893	3.7
95.08540	1.1
97.20654	0.9
105.06973	29.0
106.07303	4.0
107.04891	1.1
107.08524	3.1
109.06474	4.5
119.04897	5.1
119.08532	5.9
120.05221	0.9
120.08037	0.9
120.08858	1.7
125.05958	4.8
125.43635	0.7
125.72258	0.8
129.07005	1.5
130.05019	0.9
131.08527	10.8
132.08862	1.9
133.10094	100.0
134.10423	25.7
137.05977	1.7
145.02831	1.0
147.02342	0.8
147.04378	12.3
147.11613	7.7
148.04764	1.0
148.11998	4.0
151.07509	1.0
151.11143	7.9
152.11508	1.5
155.07004	1.3
163.03816	1.2
165.12653	0.9
175.11121	4.8
176.11493	1.3
185.04181	10.5
193.12212	25.1
194.12543	8.3
211.13309	7.6
212.13594	1.6
217.04733	1.3
236.90900	0.8
257.13785	1.0
291.09680	0.9
379.09921	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	379.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03394	0.6
55.01794	0.4
66.26128	0.3
70.06478	1.5
72.08076	0.3
81.03330	0.4
84.08051	0.4
94.06497	0.4
94.51019	0.3
114.05433	0.6
124.04996	1.5
130.05002	0.4
135.13625	0.3
149.04579	2.5
166.07175	0.5
189.06424	1.5
189.10017	0.6
201.06264	2.1
202.07156	5.3
203.07968	3.9
204.08751	11.7
215.07921	2.8
216.08759	100.0
217.09497	8.1
218.10297	10.8
225.06288	5.2
226.07153	2.5
227.07965	1.7
228.08719	1.6
229.09552	2.0
230.06741	1.0
230.10298	14.5
240.08736	27.1
241.09334	1.5
242.10309	5.7
244.08311	2.4
246.07269	0.5
246.09792	14.9
255.09785	1.3
255.85681	0.3
258.09814	6.9
268.08258	1.4
268.14819	0.3
283.09253	3.0
285.11014	0.6
286.09250	23.2
287.09915	0.4
301.58069	0.4
315.11914	1.7
329.09927	0.5
333.12967	1.3
343.11505	0.5
347.10840	2.2
349.41275	0.3
350.00067	0.3
361.12469	2.4
379.13516	27.2
380.14188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	3.5
55.05434	2.4
56.96483	3.4
57.03357	4.8
60.04459	3.6
61.02835	2.6
65.69174	2.1
66.58337	2.6
69.03343	14.3
70.06498	15.3
72.08061	6.5
81.03310	5.1
84.04434	3.1
85.02833	32.1
86.09619	11.0
93.06953	2.7
95.04886	12.2
95.08508	2.9
97.02811	12.7
107.94957	2.8
109.02823	4.0
110.07081	3.3
112.07562	11.1
113.07880	3.3
116.07023	3.6
116.98662	4.0
120.08050	12.0
123.04354	13.9
126.03110	4.0
127.03922	3.7
130.06442	9.5
136.07515	4.9
140.04631	3.2
141.05466	35.7
145.02829	3.0
146.99623	3.2
147.04385	10.2
154.02542	4.7
156.06483	3.6
168.04152	10.3
169.04927	100.0
170.05704	3.8
171.02835	20.9
178.04919	3.9
179.05379	4.4
183.06485	22.2
186.05197	44.9
201.07545	65.4
221.04718	2.4
237.02939	2.5
307.14273	2.5
380.11380	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	380.2428
Annotation	Ro 09-1543
Peak:m/z	Relative Intensity
53.03880	5.7
53.12871	0.7
53.60893	0.8
55.01810	1.7
55.05441	5.4
55.24639	0.7
59.04922	0.9
65.03859	1.2
67.05427	11.2
69.06986	11.8
73.98096	0.9
74.02345	3.6
77.03826	1.0
79.04971	1.2
79.05412	27.0
81.03320	5.4
81.06974	8.3
83.08508	0.9
86.09094	1.4
86.09625	42.9
91.04822	1.5
91.05402	45.8
93.03343	2.0
93.06969	25.4
95.04916	6.2
95.08518	7.8
97.06438	1.7
105.03335	68.1
105.06965	27.3
107.04896	19.4
107.07883	1.3
107.08540	32.2
109.06432	1.2
109.10090	5.7
115.05390	6.6
116.06173	5.9
117.03330	2.1
117.06961	14.4
119.04868	4.9
119.08538	70.5
120.08812	2.2
121.10095	23.3
123.08009	1.1
128.06152	10.5
129.06958	26.4
130.08614	2.1
131.04840	1.5
131.08530	41.6
132.10194	6.2
133.06468	8.8
133.10088	7.8
135.08012	4.5
136.59007	0.9
141.06950	3.4
142.07756	15.6
143.04875	1.3
143.08537	41.5
144.09203	1.9
145.02805	6.5
145.06454	5.1
145.10112	8.7
147.04367	0.9
147.08017	4.8
147.11691	1.7
149.09561	1.8
153.09039	1.3
155.08498	4.2
156.09306	8.7
157.06442	7.0
157.10106	29.8
158.10419	1.1
159.08014	13.7
159.11697	8.6
161.09575	5.3
161.13196	2.1
165.06967	1.6
168.09293	1.2
169.10051	1.6
170.10861	10.9
171.08023	11.9
171.11656	7.0
175.11169	6.2
175.14740	5.4
176.97340	1.0
177.05429	4.6
177.09015	1.8
180.09358	4.9
183.07982	1.7
183.11684	1.1
184.08752	1.7
185.09581	45.1
185.13199	49.9
186.13553	1.4
187.14774	3.7
190.12254	1.2
195.11601	7.5
198.10338	3.9
203.10608	4.5
203.14273	19.5
213.12701	84.7
214.12993	2.1
231.13747	100.0
232.14101	3.8
249.14758	1.1
298.21506	3.8
316.18921	4.7
316.22598	6.7
344.22137	20.3
344.26147	1.6
362.23157	24.4
377.25104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67123	5.5
53.94414	6.0
55.01809	15.0
55.05456	64.2
56.96485	24.9
57.03374	92.7
62.46675	7.8
67.05423	100.0
69.03331	25.0
69.06985	31.8
70.06486	9.6
71.04908	38.8
72.08075	10.0
75.29163	6.5
79.05412	52.0
81.03355	17.6
81.06956	71.5
83.04901	76.4
83.08514	26.7
85.02837	14.2
86.09613	9.9
89.03836	7.0
91.05399	64.6
92.05767	8.2
93.06960	30.7
95.04893	39.4
95.08535	71.2
97.02766	8.2
97.06446	39.6
97.10062	27.4
98.97488	27.5
105.06962	17.4
107.04916	17.3
107.08552	57.4
109.06461	25.8
109.10116	66.2
111.08022	16.0
116.98570	10.1
117.03297	15.8
117.06960	13.1
119.04893	56.0
119.08519	16.6
120.05202	13.1
120.08051	16.6
121.06425	10.6
121.10109	12.0
123.08002	34.7
125.09573	9.5
129.06941	8.7
131.08516	17.0
135.08025	14.2
135.11650	8.2
137.09561	10.9
145.02794	52.4
145.10168	7.0
146.18488	6.7
147.04402	92.3
147.11644	7.8
148.04709	45.5
149.05983	13.7
155.10690	31.4
159.11641	8.5
162.05392	10.2
171.11658	8.9
173.11612	8.3
175.03894	16.2
177.05449	63.2
189.11177	9.6
207.06583	12.8
221.15353	40.9
273.18533	9.0
291.19507	91.8
309.20618	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	380.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05193	0.8
55.05455	12.8
57.05734	0.7
58.32486	0.5
67.05429	9.6
69.06978	1.4
71.40456	0.5
72.08071	100.0
79.05384	0.9
81.06973	9.2
83.08564	0.8
86.72834	0.6
91.05391	1.2
92.10342	0.8
92.64709	0.8
93.06959	2.6
95.08526	4.6
105.07017	0.7
109.10113	1.5
118.08598	26.0
119.08563	0.7
121.10038	0.8
128.35260	0.6
167.39932	0.6
177.36702	0.6
187.96805	0.6
334.30942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49493	1.7
54.81651	2.1
57.07014	61.4
59.10049	1.6
62.25731	2.7
65.29770	2.1
71.08547	35.8
73.06448	2.0
85.10108	21.2
87.04376	2.1
89.05953	100.0
92.10236	3.4
98.07350	2.1
98.26402	1.9
107.07013	8.4
111.11671	2.2
133.08571	22.8
152.07303	1.9
177.11124	3.7
190.78392	1.9
194.64983	2.1
195.12242	28.8
363.31033	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	381.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87322	2.8
59.90551	3.2
79.83537	3.8
82.89941	3.4
85.58691	3.5
89.91565	3.7
102.07264	4.3
103.88545	4.3
108.18682	3.6
119.93732	3.8
158.52254	3.8
280.05432	3.9
327.16873	3.9
347.32272	3.7
381.03232	5.6
381.07834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02282	0.3
78.04581	0.2
81.03323	0.9
85.06281	0.2
89.03831	8.5
89.75349	0.2
91.05387	0.9
92.10591	1.8
97.02834	2.2
103.05383	0.3
106.04159	0.2
109.02843	1.8
109.49516	0.3
117.03322	33.5
118.03616	0.3
119.04887	0.3
134.03603	2.0
135.04353	2.4
145.02818	85.1
146.03172	1.7
147.04312	0.6
149.05943	14.2
163.03799	1.2
177.05424	100.0
178.05801	2.3
186.05428	1.0
285.61996	0.2
325.48706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	0.7
68.58443	0.5
73.66923	0.5
74.97520	0.4
80.50900	0.5
81.03326	0.9
81.06968	0.8
89.03832	7.9
91.05389	2.4
93.06945	0.5
95.04928	0.6
97.02820	2.9
108.17868	0.6
109.02808	0.9
117.03326	33.1
117.61605	0.5
119.04845	0.6
119.08513	0.6
134.03590	0.9
134.99640	0.5
135.04359	2.2
143.18436	0.5
145.02823	84.2
146.03197	0.7
147.04375	1.0
149.05942	12.3
175.03813	0.6
177.05432	100.0
178.05785	1.2
186.05463	0.7
194.11534	0.8
266.03326	0.5
288.35004	0.6
323.48373	0.6
354.01938	0.6
381.18652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.0
55.05444	1.2
55.51337	1.1
55.98284	1.1
56.60611	1.1
56.96484	1.5
67.69711	1.3
69.03333	7.4
79.05413	1.6
81.03352	10.1
87.29172	1.2
89.03819	14.3
91.05379	6.9
97.02811	9.1
99.04398	12.3
109.02796	13.0
117.03321	43.2
119.04898	7.5
121.48035	1.4
127.03874	9.4
135.04367	2.7
137.70361	1.3
145.02812	95.5
146.03162	1.8
147.04358	12.7
149.05936	17.3
160.41951	1.3
170.87860	1.6
177.05421	100.0
198.46829	1.4
381.11673	2.0
381.18710	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	381.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29273	0.1
64.33132	0.1
65.03855	0.6
72.07664	0.1
72.08069	4.4
89.10714	3.1
91.05405	9.4
96.88432	0.1
115.08640	0.5
119.04892	29.9
120.05238	0.3
147.04382	100.0
148.04694	1.1
176.10684	0.1
217.13254	0.3
218.11713	5.7
228.50679	0.1
235.14359	19.3
236.14644	0.4
238.30124	0.1
239.36829	0.1
261.12271	1.4
381.17981	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58971	1.4
52.69184	1.3
54.69628	1.4
58.19968	1.4
72.35647	1.7
89.05965	6.6
90.06300	1.9
100.86217	2.1
318.44772	2.2
320.61829	1.7
381.29666	100.0
382.30255	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	381.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89225	2.9
55.05442	12.3
56.57970	2.7
57.44202	2.8
61.46412	2.7
64.33936	3.0
64.52626	2.8
66.74065	3.1
66.80223	2.9
67.66505	2.5
69.06978	4.5
69.12457	3.1
71.08532	13.1
72.04440	31.5
80.06632	2.8
81.06964	14.7
83.08536	3.1
88.52756	2.7
89.05960	5.9
93.06976	5.1
95.04890	3.8
95.08538	7.0
99.07986	5.7
104.32255	3.4
107.08542	7.2
109.06496	3.6
109.10118	3.9
128.10686	3.3
142.12244	4.8
158.05836	3.0
165.12744	5.5
187.39540	3.0
238.21617	14.2
291.23105	6.3
301.50171	3.5
336.28934	100.0
337.29202	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	382.1704
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.45690	0.9
56.21470	1.1
56.73822	1.1
56.93718	1.0
57.03369	1.6
57.07005	5.8
59.04924	2.5
61.20372	1.1
67.05423	3.0
67.40413	1.2
68.86433	1.1
69.03344	4.9
69.06978	5.4
70.02863	2.6
70.06487	2.4
71.24340	1.1
72.04428	20.4
73.02803	5.0
74.51727	1.2
81.03336	2.3
83.04906	2.0
85.02821	10.8
85.06473	10.1
86.09605	1.2
90.05479	100.0
95.04886	7.2
97.02808	4.7
98.02348	12.5
100.03901	1.8
103.07504	6.9
113.05936	5.0
116.03415	16.9
124.07539	17.7
127.03922	2.1
130.06485	5.5
131.07065	1.7
132.08049	2.5
142.08635	11.1
146.05963	1.9
166.08598	1.7
184.09685	14.8
202.10703	24.1
204.15424	1.3
220.11757	86.9
268.09341	1.2
325.88931	1.3
383.09299	2.6
404.65390	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1719
Annotation	O-beta-D-Glucopyranosyl-cis-zeatin
Peak:m/z	Relative Intensity
52.49481	0.9
53.03891	1.0
54.81603	1.0
55.01825	0.9
55.28181	0.8
57.03358	1.6
57.34798	0.8
60.04445	1.7
61.02850	4.4
67.05430	5.1
69.03343	10.4
70.06502	3.9
73.02832	1.9
79.47096	1.0
81.03339	2.2
84.04441	1.7
84.08087	2.1
85.02818	12.1
87.04406	1.1
90.15175	0.9
97.02832	6.3
107.08585	1.1
109.02792	1.7
110.07118	2.2
117.63541	1.1
120.08076	1.7
127.03942	1.2
136.06160	100.0
137.04572	1.0
147.04398	1.1
148.06168	4.6
159.06633	1.7
162.05447	6.4
169.05023	1.4
185.08160	10.0
202.10822	11.3
215.28947	1.4
220.11891	40.1
259.35110	1.1
324.37958	1.1
382.17151	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91628	0.8
54.81597	1.0
55.01803	1.0
55.05445	9.4
57.03371	5.7
61.02853	1.2
61.41706	0.9
67.05432	15.1
69.03352	20.5
69.06995	8.3
70.06501	4.2
71.04908	5.0
72.08070	1.3
73.02818	1.7
79.05413	26.2
81.03344	1.6
81.06974	21.3
83.04898	18.4
84.04440	2.1
85.02834	19.6
85.03893	1.0
87.04401	25.0
91.05411	6.6
93.06972	54.8
95.08535	82.9
97.02825	6.9
97.06470	6.4
97.10101	1.0
99.08007	1.2
101.05968	1.6
105.06955	1.8
107.04918	1.7
107.08541	6.1
107.41672	1.1
110.07083	1.8
111.11634	1.6
113.09604	1.3
115.03868	16.9
117.03280	1.3
119.04913	4.5
121.10098	100.0
121.47318	1.0
125.05981	1.9
127.03915	2.2
129.05440	1.7
130.06546	1.9
131.08560	5.4
139.11156	87.1
140.11493	1.3
145.02858	2.4
145.04985	1.7
147.04399	5.5
149.09589	13.8
157.12202	4.6
167.10657	12.2
177.05447	4.8
185.11685	39.9
194.35414	1.0
203.12724	11.4
209.02522	1.0
254.80022	1.0
289.01385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86767	0.5
55.01820	1.0
55.05451	8.3
56.96505	0.8
57.03372	4.0
57.07001	1.2
61.02851	1.5
67.05428	6.7
69.03352	7.9
69.06987	18.3
71.04902	2.3
71.08544	8.4
71.64387	0.5
76.89610	0.5
77.73753	0.6
79.05407	8.7
81.03350	1.5
81.06976	8.4
83.04899	10.4
83.08528	1.3
84.04419	0.8
85.02830	9.1
85.06476	0.6
87.04398	9.7
87.87543	0.6
88.57195	0.6
91.05418	1.4
92.10281	0.6
93.06973	14.4
95.08530	13.6
97.02828	3.4
97.06486	5.9
97.10094	9.6
99.08028	2.3
100.11191	3.4
101.05930	0.7
107.04929	0.6
109.02853	0.7
109.10098	0.8
111.04415	0.7
111.11702	2.6
113.09594	0.7
115.03887	4.1
117.03341	0.9
120.45625	0.5
121.10105	16.4
127.03883	1.1
137.05957	0.7
139.11159	34.5
145.02817	2.5
146.03130	0.6
147.04387	1.3
152.04430	0.6
157.12216	74.4
177.05443	2.4
178.05824	1.1
182.15292	0.8
185.11694	100.0
186.12067	1.1
203.12811	1.3
233.11591	0.6
278.47760	0.6
409.31946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01806	11.0
55.05451	21.7
56.44799	2.1
56.96513	2.0
57.03360	5.3
60.04457	3.6
67.05437	5.7
69.03342	6.4
69.06998	20.3
70.06503	17.0
71.04903	22.3
72.08068	5.5
79.05404	26.7
79.11693	2.2
81.03329	4.8
81.06979	10.0
83.04887	5.1
84.04442	4.9
84.08068	5.5
85.02820	20.6
85.06457	5.1
86.09620	4.1
87.04398	26.3
91.05402	6.0
93.06982	40.5
95.04878	3.9
95.08530	13.3
97.02809	3.2
97.06470	27.3
105.06983	5.1
107.07881	3.7
107.08549	64.3
109.02869	4.3
109.10052	2.8
110.22314	2.6
111.04365	4.7
113.05222	4.7
113.05959	100.0
115.03901	6.6
116.98523	3.1
121.10103	50.3
123.08025	5.7
125.09592	58.4
129.10147	2.5
131.08539	19.9
134.99620	3.6
135.51280	2.8
139.11162	50.9
144.08026	3.4
147.04340	3.8
149.09589	39.5
162.05495	4.0
165.06064	3.0
167.10651	69.4
174.11230	2.7
185.11699	90.2
186.12003	2.8
203.12769	37.4
221.55779	2.8
235.12660	3.5
313.44418	3.4
386.25513	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	382.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.8
55.05455	18.3
56.96502	1.5
61.28918	1.4
62.74698	1.4
63.37426	1.5
64.43999	1.6
67.05428	65.4
69.03319	1.4
69.06993	27.6
69.38373	1.3
70.06510	12.5
70.14703	1.3
72.86694	1.3
79.04964	3.4
79.05408	100.0
81.03371	1.7
81.06978	53.2
83.08541	8.3
86.09628	20.2
91.05407	40.6
93.06978	26.6
95.04877	11.4
95.08533	23.0
97.10088	10.8
105.03329	8.3
105.06971	35.3
107.04200	2.9
107.04901	82.5
107.08541	41.1
109.06427	1.8
109.10108	97.2
117.06975	18.7
119.07785	1.5
119.08526	17.4
121.10123	15.8
123.07967	1.8
125.09602	12.4
127.11183	11.0
129.06952	7.9
131.08533	43.7
133.10100	3.8
137.39597	1.5
143.08633	2.7
143.10648	1.6
145.10112	28.6
147.08055	2.5
147.11632	11.1
149.09572	2.7
155.08478	2.1
159.11679	13.7
161.13309	1.5
172.08821	2.6
177.12628	2.1
177.16292	2.0
187.14740	36.3
197.13124	1.9
205.15865	13.5
211.46527	1.6
215.14305	14.4
233.15338	14.1
318.24225	3.1
346.23538	3.3
364.24872	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	382.2716
Annotation	Sphinganine 1-phosphate
Peak:m/z	Relative Intensity
52.03876	3.7
55.01783	4.1
55.05456	34.9
56.04973	9.7
57.07000	10.0
60.04441	8.5
64.50902	4.5
67.05424	42.1
69.06985	31.5
70.06509	28.4
71.08543	5.6
81.06981	37.7
83.08536	21.9
84.08066	4.4
95.08536	34.7
97.10078	8.6
109.10101	9.3
111.11659	4.5
133.06357	4.1
139.36584	3.7
159.15724	4.2
203.16356	4.6
266.28354	73.7
284.29446	100.0
286.95837	4.9
382.26999	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05048	0.5
53.55172	0.4
54.81947	0.5
55.05444	2.4
56.96494	1.0
58.40567	0.4
67.05416	3.5
68.04946	1.3
69.05730	4.2
69.06983	2.7
70.06507	37.5
71.04884	0.5
71.08566	1.9
79.05408	1.0
80.04900	0.6
81.06969	2.2
82.06483	0.7
83.04871	0.8
83.07279	5.8
84.08061	3.8
85.02832	0.6
91.05405	2.4
93.06964	2.6
95.08546	3.9
97.06459	0.8
97.61038	0.5
105.07007	0.8
107.08541	1.2
109.10075	2.3
113.05967	0.7
116.98575	1.0
121.10099	2.1
126.09096	0.6
134.99693	0.7
135.08022	0.6
138.52811	0.6
154.15918	4.9
155.10657	0.7
176.50591	0.6
182.15361	100.0
182.49028	0.6
183.15663	0.9
247.08372	1.0
254.17349	1.3
277.21738	0.9
295.22742	1.9
317.47998	0.6
333.09021	0.6
371.33218	0.8
371.93463	0.6
381.84473	0.6
382.29449	53.6
383.21429	1.2
401.22430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52716	1.2
55.05455	1.7
56.04717	2.8
56.04975	47.2
56.70512	1.1
57.03361	2.2
64.51163	1.3
66.56516	1.7
67.05421	16.5
68.96538	1.4
69.06988	5.9
69.54190	1.3
74.05991	100.0
79.05410	7.0
81.06976	17.1
84.04428	2.3
88.95569	1.2
89.77627	1.7
91.05403	2.1
93.06966	2.2
95.08537	12.6
102.05476	60.8
105.06965	1.8
109.10089	3.0
120.06528	81.0
133.10129	1.6
146.15642	1.3
364.28323	2.4
388.80402	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36943	2.4
55.05452	40.1
56.87514	2.4
57.03362	2.4
57.07008	41.5
67.05412	4.3
69.06978	4.6
72.40435	2.3
74.09619	12.1
74.30580	2.9
79.05419	2.8
81.06967	3.6
82.06496	3.5
83.04885	5.8
83.08526	15.5
85.06468	5.8
91.05395	4.3
95.08464	2.9
95.60265	2.8
100.07542	20.2
100.11180	67.7
102.01241	2.6
104.65308	2.8
108.71486	3.2
111.04337	8.8
112.07549	5.3
114.07267	2.9
117.03307	4.9
117.73703	2.7
138.12703	4.4
145.02814	3.9
147.04367	6.5
154.12263	6.2
156.13803	100.0
161.13281	2.9
165.18352	3.0
178.05670	3.4
182.15352	58.3
184.13312	42.2
184.16936	4.6
199.17972	6.2
201.04341	3.2
210.14835	15.2
309.21594	13.0
364.29184	4.7
382.30493	54.1
405.13446	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.3312
Annotation	Besarhanamide A
Peak:m/z	Relative Intensity
54.81390	0.3
55.05454	13.0
55.13367	0.2
56.04974	0.4
57.05737	1.2
57.07013	0.7
59.25161	0.3
60.04163	0.3
62.76419	0.3
67.05437	3.6
69.06984	4.0
71.08552	0.3
72.08070	100.0
73.08407	0.7
79.05403	2.0
81.06986	3.1
83.08546	1.9
86.09641	0.6
88.11208	0.4
93.06979	2.0
94.06499	0.3
95.08537	2.9
97.06487	0.3
97.10117	1.4
105.06964	0.6
107.08545	0.7
109.10125	0.7
118.08602	27.1
121.10133	1.5
135.11636	0.6
149.96289	0.3
151.25960	0.3
165.78360	0.3
171.40404	0.4
228.70000	0.3
277.61319	0.3
312.95511	0.3
332.81509	0.3
336.32669	1.2
382.33051	1.5
397.31445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82263	1.9
55.10878	1.9
57.03370	4.0
61.02859	2.5
62.34078	1.9
69.03362	16.3
70.06490	4.3
71.04905	2.3
73.02840	3.4
74.02345	2.8
75.89629	2.4
81.03339	8.6
85.02825	50.1
97.02826	11.1
99.04384	3.1
103.03835	2.2
116.07114	2.6
117.65375	2.6
118.06467	13.7
127.03896	2.7
130.06490	100.0
132.04391	33.2
132.08044	10.5
136.06155	5.0
136.07549	2.2
142.10139	2.2
144.06929	5.0
144.08044	42.8
145.05151	2.3
145.07553	25.7
146.05965	22.6
148.07538	5.0
154.06471	8.1
156.08046	4.2
157.07584	95.5
158.05981	84.1
159.09190	8.7
160.07536	3.6
169.07599	19.2
170.05960	5.1
170.08318	3.7
171.09154	12.4
172.07578	19.1
174.05438	11.4
175.08636	58.8
176.07166	3.4
181.07573	8.2
182.08429	4.6
183.09097	25.0
184.07475	3.3
185.07059	17.1
186.05385	2.7
187.08636	2.7
199.08621	13.3
200.07066	23.4
203.08098	84.1
207.09041	2.6
209.07109	10.3
217.09590	24.2
221.09135	29.3
227.08208	5.2
228.06627	3.8
231.07411	3.4
245.09177	17.2
245.81134	2.7
251.08612	2.7
263.10205	24.3
329.11212	4.4
347.12454	4.6
348.10767	4.6
365.13324	17.5
383.14258	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	383.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96505	7.2
60.23826	2.5
62.99109	2.1
69.03341	5.7
70.06505	19.8
73.02811	4.4
73.08995	2.1
76.35027	2.4
81.03318	4.9
84.04426	5.3
84.08044	4.2
85.02823	12.3
86.09627	5.1
91.05376	13.7
93.06968	3.6
95.08517	3.8
97.02829	3.9
98.19269	2.8
107.04892	3.0
109.02805	2.4
110.07082	3.6
116.98562	4.4
117.03297	3.7
118.06457	2.8
119.04880	14.4
128.02257	2.9
130.06480	16.9
132.61618	2.7
139.11168	2.9
140.11656	2.6
144.08072	11.1
145.02792	3.6
145.84145	2.6
146.06012	20.8
147.04388	18.4
149.01231	10.1
161.01236	2.9
163.03865	9.9
165.40877	2.6
172.07536	3.3
173.04181	10.0
177.05360	3.9
177.77127	2.7
196.53632	2.7
233.11507	3.5
237.02832	5.1
240.05638	3.4
248.02191	4.1
255.56705	14.8
256.06827	5.6
260.33533	2.7
266.03290	16.2
268.04697	3.0
383.16678	100.0
384.16690	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11309	0.5
53.11774	0.4
53.49978	0.4
57.03356	0.6
73.02817	2.3
85.02808	1.1
97.02830	0.6
97.82745	0.5
98.97517	0.8
116.98595	0.6
124.03973	0.7
133.10175	0.7
146.05969	1.1
162.05482	4.2
203.86139	0.5
222.07594	0.6
228.66016	0.5
233.11345	0.6
234.04225	0.7
251.12407	1.1
330.21167	0.6
365.15659	6.6
383.16681	100.0
384.16928	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	383.2063
Annotation	Cinncassiol A
Peak:m/z	Relative Intensity
53.03880	2.8
54.82008	2.7
55.01805	5.0
55.05439	4.5
56.96518	2.6
57.03353	4.8
57.07005	7.6
59.06057	4.2
61.35884	2.6
61.60239	2.7
67.05415	28.6
69.03342	14.5
69.06978	12.0
70.06499	13.2
71.04892	2.7
72.08071	3.1
73.62247	2.6
73.92342	3.2
78.65326	3.3
79.05400	45.0
79.26246	2.7
81.03326	5.5
81.06979	55.7
85.02826	18.0
85.06471	21.3
91.05399	54.9
93.06967	73.8
95.04887	14.8
95.08524	41.1
97.02819	14.1
103.05450	3.5
105.03320	17.3
105.06969	72.0
107.04903	14.8
107.08533	81.3
109.06458	19.5
109.10100	100.0
111.08043	5.7
114.77003	3.6
117.03315	5.0
117.06957	17.4
119.04905	20.5
119.08533	70.0
121.06464	11.3
121.10084	24.7
123.07998	4.1
125.09582	6.3
127.72156	3.1
129.06978	14.5
131.08501	28.5
132.80707	3.5
133.06456	5.0
133.10109	14.0
135.08012	40.0
135.11641	12.4
137.05885	3.9
137.09572	17.9
139.07530	7.7
143.08492	32.6
145.02835	12.2
145.10091	41.2
147.04378	17.4
147.07980	12.9
147.11652	24.9
149.09599	19.5
150.65837	2.9
153.09068	54.2
154.04935	5.2
155.07011	15.2
155.08499	14.1
157.10144	29.2
159.08035	4.8
159.10245	7.3
159.11661	35.4
161.09604	13.3
161.13254	4.6
163.07518	5.5
163.11108	5.4
165.09076	69.2
167.02077	4.2
167.08481	4.7
167.10693	5.8
169.10075	38.0
171.08118	3.7
171.11638	14.0
173.09570	5.7
173.13145	5.2
175.11166	4.6
177.05472	16.7
177.11247	3.8
181.10072	13.3
183.11653	14.2
185.09514	3.7
185.13148	12.0
187.11165	22.8
187.14664	3.9
191.10614	7.4
191.14429	3.2
195.11658	24.1
196.12299	3.8
196.97606	2.7
197.13161	25.1
199.11150	5.7
199.14810	12.2
201.07475	3.6
209.13226	15.2
211.14766	12.4
213.12553	14.4
213.16299	4.8
215.14201	30.8
227.14243	7.2
227.17839	6.6
237.02545	3.6
237.16237	31.9
239.17841	50.5
241.15981	4.7
247.14836	4.5
255.13707	3.5
255.14688	4.0
255.17387	55.3
257.18951	11.4
261.14764	30.6
265.15796	31.7
273.18533	28.0
283.16833	86.0
285.18469	4.0
301.17871	57.8
311.16400	38.4
319.18924	37.0
329.17380	45.4
337.19919	23.5
347.18451	73.3
365.19461	66.1
383.16565	28.4
383.20706	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05460	3.5
54.81521	5.1
56.96510	31.8
67.05424	5.4
71.04925	5.8
72.57883	3.9
76.55949	3.4
78.80759	3.9
81.06969	7.4
83.08535	4.1
89.56191	4.1
91.05753	5.3
93.06972	4.7
98.97524	4.1
99.50915	4.0
107.08587	4.1
114.36504	4.3
116.98560	5.7
123.07975	4.1
129.96835	4.5
134.99623	9.9
146.99695	5.0
147.04440	7.6
181.15657	4.4
217.07478	26.9
219.08896	5.1
222.64322	4.3
229.07448	58.7
247.08498	100.0
266.99841	6.1
283.02994	23.4
299.06158	51.4
333.17288	18.4
351.18314	29.0
353.19510	5.7
366.13776	4.3
366.98453	4.5
369.19376	10.0
383.16556	10.1
383.20895	80.9
400.70090	4.2
401.21829	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77895	0.6
55.01807	1.7
55.05450	14.7
57.03373	6.6
57.07015	6.7
64.00708	0.6
65.03840	1.0
67.05433	18.2
69.06989	13.2
71.04914	1.8
71.08546	13.7
71.61582	0.8
75.04382	1.3
79.05408	12.5
81.06973	30.9
83.04900	0.9
83.08543	4.1
85.06454	3.6
88.62097	0.7
91.05401	7.8
93.06970	19.0
95.04893	12.2
95.07964	1.4
95.08532	24.7
97.06457	6.0
97.10122	1.3
99.08002	6.0
105.06961	8.4
107.08539	12.6
109.06465	59.6
109.10114	7.2
111.08038	1.5
116.93292	0.7
119.08538	7.8
121.06472	1.3
121.10126	6.1
123.08027	5.5
123.11667	3.7
131.08549	3.3
133.10110	5.1
135.08009	1.2
135.11707	1.1
136.76590	0.7
137.09601	0.9
145.10001	0.9
147.11699	3.3
149.13287	1.7
151.11218	1.5
161.13258	2.9
165.12717	71.0
175.14774	1.4
179.14320	1.6
191.14478	1.0
193.15808	1.8
199.14723	0.9
235.16885	13.7
253.19473	0.9
291.23120	100.0
292.23575	3.3
309.24261	1.3
383.27853	36.6
384.28232	1.8
385.73605	0.8
395.44333	0.8
400.39417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82211	1.0
55.05442	7.5
57.07010	1.8
61.21896	0.9
65.74686	0.8
67.05427	2.6
69.04485	1.2
69.06992	8.9
70.41476	1.0
71.08524	1.1
72.08071	33.0
72.11944	0.9
73.08390	6.6
77.16473	1.0
80.50643	1.0
81.06939	4.0
86.09628	100.0
89.70892	1.1
93.06914	1.1
95.08518	4.4
105.06995	1.1
108.23778	1.1
109.10089	1.8
113.50581	1.0
118.08582	5.0
122.82095	1.1
150.79703	1.0
174.03067	1.2
243.78838	1.2
251.08322	1.1
324.32455	6.3
352.32190	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18004	0.3
51.34272	0.3
53.03922	0.5
53.86508	0.3
55.04622	0.4
55.05454	13.0
57.05756	1.0
57.07012	1.8
66.81728	0.4
67.05419	0.5
67.33688	0.4
71.08547	0.8
72.08069	100.0
73.08401	0.6
81.06985	0.7
83.37688	0.4
85.10115	0.5
88.11209	0.5
92.10278	1.6
92.63821	0.4
102.97310	0.4
105.06998	2.6
119.08561	0.6
119.64027	0.4
132.93126	0.4
134.97647	0.4
143.21666	0.4
154.61055	0.4
193.23882	0.5
262.13788	0.5
310.31125	2.4
338.30359	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	384.1147
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01801	2.6
55.25105	0.3
57.03358	2.4
58.74320	0.3
60.53650	0.4
61.02862	0.4
69.03343	0.9
71.01269	0.6
73.02825	2.3
85.02815	2.7
89.22211	0.4
89.52325	0.4
90.00401	0.4
90.30367	0.4
92.10908	0.6
97.02827	0.7
114.28293	0.4
114.46404	0.4
115.03902	0.5
121.05063	2.7
135.06628	0.9
136.06158	30.2
137.04578	1.9
137.05902	0.6
148.06143	11.3
160.06134	1.7
162.07713	66.9
178.10805	0.5
188.05627	20.5
192.05124	31.8
206.06688	10.5
216.05116	2.0
234.06165	15.3
252.07211	100.0
253.07497	0.9
319.67426	0.5
384.11377	19.8
385.11969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	0.7
56.96513	0.5
58.63912	0.5
59.12474	0.5
62.81736	0.5
64.71108	0.6
67.05440	0.6
70.00621	0.5
71.77326	0.6
72.08070	2.9
89.03845	8.0
91.05409	15.9
95.04889	0.7
97.33032	0.6
117.03338	25.9
118.48508	0.7
119.04907	44.2
121.18795	0.6
123.46384	0.6
134.03613	1.2
135.04381	2.9
144.04445	3.1
145.02834	57.3
146.03119	1.0
147.04401	100.0
148.04724	1.5
149.05972	9.0
157.38611	0.6
171.35713	0.6
176.07037	3.8
177.05443	53.2
178.05801	0.8
181.25682	0.7
183.11053	0.6
190.08574	6.2
204.06552	10.9
205.07310	2.4
220.09669	37.6
221.10098	1.1
238.10597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13802	0.2
54.81768	0.2
69.06976	0.5
69.54165	0.2
70.06509	1.3
72.08081	0.4
74.02356	0.3
85.02820	0.9
86.09627	100.0
87.04391	0.2
87.09987	0.9
88.02124	2.1
97.02863	0.4
110.07108	0.3
114.37360	0.3
116.07047	0.5
132.10172	37.1
134.02667	1.9
136.06181	3.4
137.04565	9.6
162.07770	0.3
226.58163	0.2
315.05649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53868	0.4
54.81255	0.6
55.01813	0.4
55.05449	12.1
57.03357	1.1
57.07002	1.9
59.04930	2.6
61.02843	0.7
67.05425	44.1
69.03339	2.6
69.06976	2.6
70.06497	0.8
71.04904	1.9
71.08509	0.4
72.08051	0.6
73.06469	0.8
79.05401	2.2
81.03318	0.8
81.06971	100.0
82.07297	0.6
83.08539	3.5
85.02827	5.1
85.06461	2.0
86.09598	0.6
94.23663	0.4
95.08540	3.1
97.02853	0.9
97.10101	5.0
99.08007	0.4
109.10100	2.0
110.07119	0.8
119.04903	1.0
123.11656	88.4
124.03886	0.7
124.12005	0.8
127.03853	0.5
127.11125	0.5
141.12715	65.4
147.04404	2.3
187.13242	18.5
205.14355	2.7
282.02765	0.5
318.77386	0.6
385.21875	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	384.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94107	0.4
55.05439	2.0
57.03342	0.4
57.06744	0.7
57.07011	15.5
60.91354	0.4
64.34237	0.5
68.95893	0.5
69.06965	0.5
70.03461	0.4
74.91570	0.5
76.70000	0.5
79.05384	0.6
91.05389	2.9
93.06963	2.1
96.68918	0.5
97.06508	0.6
105.06976	13.1
107.08525	4.3
108.63731	0.5
119.08532	22.7
121.06432	5.8
121.10096	40.4
122.10394	0.8
132.20055	0.5
133.06465	2.5
133.10092	22.5
135.11691	0.5
142.07791	1.9
145.10100	3.0
147.08017	1.9
147.11661	33.1
148.11949	0.6
157.10133	2.2
160.08788	2.2
163.11165	1.1
168.23787	0.5
175.11139	18.9
177.12698	0.9
239.29955	0.5
248.12689	0.5
283.16852	100.0
284.17267	4.0
339.23102	47.6
340.23297	1.0
346.83148	0.5
384.45499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3105
Annotation	N-oleoyl threonine
Peak:m/z	Relative Intensity
55.05458	11.6
55.58440	0.8
56.04976	48.4
57.03367	1.6
57.06997	2.2
66.22421	0.9
67.05436	10.7
69.06990	11.3
74.05991	100.0
79.05400	5.1
81.06973	9.1
83.08524	4.6
84.04410	4.7
84.71055	1.1
86.05924	1.2
93.06978	4.3
95.08508	6.4
97.10127	2.0
101.24926	1.0
102.05476	58.5
107.08524	1.6
109.10072	2.2
120.06529	78.1
121.10072	3.6
243.29875	1.1
265.25287	1.9
302.20255	4.0
366.30045	1.3
384.31027	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	384.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	0.3
53.03875	0.4
55.05452	7.3
57.07003	1.3
58.96436	0.2
62.29607	0.2
65.95617	0.2
67.05424	7.4
68.00175	0.2
69.06986	6.1
70.06494	0.3
71.08548	0.5
74.84932	0.2
75.30933	0.2
76.56212	0.2
79.05408	5.6
81.06969	7.4
83.04856	0.2
83.08529	2.5
85.10073	0.2
85.47803	0.2
91.05391	1.2
92.10258	0.4
93.06963	2.0
95.04872	1.2
95.08527	5.2
97.06445	0.5
97.10097	1.5
103.05421	2.7
105.06972	100.0
106.07307	1.0
107.08549	1.0
109.10065	1.9
110.12019	0.2
119.08535	0.3
120.08042	1.6
121.10130	0.3
122.09616	17.2
130.06439	0.3
133.10107	0.3
148.07526	2.3
149.13316	0.3
171.26842	0.3
190.12315	1.0
204.13907	0.4
218.15421	0.3
219.44215	0.2
246.18309	0.4
260.20160	0.4
272.37149	0.2
274.21722	0.3
283.76135	0.2
286.21573	0.4
302.24817	0.3
321.09320	0.2
321.72729	0.2
338.34085	0.2
384.32559	13.8
384.37982	0.8
385.33228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	5.9
57.06722	1.0
57.06995	1.9
67.05417	5.4
68.24038	0.9
69.06984	7.7
70.06502	1.5
72.08060	3.8
74.58097	1.0
77.65949	1.0
79.05390	6.3
81.06969	8.3
83.08507	1.7
90.03091	0.9
91.05378	1.9
93.06977	2.3
95.04900	1.4
95.08521	5.6
95.42950	0.9
97.10101	1.2
103.05418	1.8
105.06969	100.0
106.07285	1.2
107.08530	1.5
109.10098	1.8
121.10168	1.8
122.09599	13.6
244.34619	1.1
274.34152	1.0
379.66025	1.0
384.32388	12.9
384.38177	5.8
385.29477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52807	0.3
70.24136	0.3
98.97495	0.5
101.00716	0.3
116.98573	0.7
119.01866	7.1
134.99681	0.5
137.02934	5.2
153.00739	0.6
158.99786	0.5
177.00914	20.4
178.00975	1.3
180.84030	0.3
185.89339	0.3
195.01947	0.6
201.00974	0.4
217.04053	4.2
219.01970	36.0
220.02060	2.9
225.00894	2.0
232.95160	0.4
234.99898	0.6
235.99911	0.5
243.01891	3.5
245.52289	0.3
247.98315	0.3
253.00798	0.4
256.95160	1.8
258.99969	1.7
260.00079	1.7
261.03000	100.0
262.03116	6.0
263.02902	0.5
269.65466	0.3
274.96317	0.5
275.04602	0.3
277.00906	3.3
278.01013	3.3
279.01004	0.8
282.99893	3.2
283.99991	3.0
284.04642	1.9
284.99722	0.4
301.01013	9.3
302.01093	10.8
303.00778	2.2
319.02182	0.7
320.02097	1.1
324.94556	0.3
342.95190	2.4
343.02020	1.7
344.02188	1.9
360.80994	0.3
361.03006	0.4
362.03201	0.5
367.02209	0.7
385.03152	5.5
386.02942	0.5
402.98853	0.5
403.04156	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1277
Annotation	1,3-O-di-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
53.97389	0.1
54.37693	0.2
55.05441	0.2
56.78650	0.2
57.03366	0.4
58.17556	0.2
65.03857	1.3
67.05424	0.3
79.05403	0.3
91.05402	17.8
92.05770	0.2
92.10268	0.7
95.08529	0.3
107.08553	0.2
107.34708	0.2
109.06456	0.2
119.04889	43.2
120.05257	0.4
132.15176	0.2
147.04382	100.0
148.04745	1.4
196.04315	0.2
198.66417	0.2
220.70274	0.2
221.06068	0.4
221.08049	6.3
349.17273	0.2
367.11700	1.5
385.25656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1282
Annotation	S-Adenosyl-L-homocysteine
Peak:m/z	Relative Intensity
56.04984	0.4
60.55536	0.3
70.06507	0.4
86.09623	1.8
88.02134	71.7
89.02461	0.5
92.10182	0.3
97.02830	3.1
99.04372	0.8
103.60899	0.3
134.01547	0.4
134.02672	55.1
136.06154	100.0
137.04588	0.5
137.06517	1.4
189.58151	0.4
208.41664	0.4
250.07387	4.9
279.23102	0.4
305.14349	0.4
324.39114	0.4
385.12848	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	385.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16636	0.5
55.01806	0.9
55.05436	3.4
57.03376	1.0
61.02848	2.9
67.05424	9.4
68.05756	0.9
69.03353	7.2
70.06485	0.8
71.04916	1.3
72.08063	1.0
81.03324	1.5
81.06973	24.0
82.07281	3.3
83.18453	0.7
85.02826	18.8
85.06472	0.7
91.05373	1.0
92.64810	0.7
97.02827	7.5
109.02834	1.7
115.05405	1.2
117.05674	1.2
117.06956	0.8
118.06491	67.3
119.04832	1.2
123.11655	17.1
124.12000	4.8
125.66059	0.7
127.03848	2.8
130.06493	52.1
131.07249	3.3
132.08057	14.6
134.68106	0.7
138.92867	0.8
141.12717	13.8
141.49146	0.7
142.06485	3.7
142.13058	3.2
143.07243	3.2
144.08075	10.6
145.02809	1.1
145.04967	0.8
146.05984	42.3
147.04366	1.3
149.73460	0.7
156.07977	0.7
160.07547	50.9
161.07968	1.3
170.04568	1.5
170.05969	29.9
177.05472	1.0
187.13313	5.7
188.07021	52.5
188.13580	1.6
189.07292	0.9
205.14238	1.1
206.08087	100.0
207.08354	1.2
220.02782	0.9
238.03824	1.5
248.09402	0.9
248.11990	0.8
266.03214	3.1
369.71539	0.7
385.18134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	1.9
56.82898	1.9
56.96500	7.8
64.87424	1.7
69.03345	2.0
69.76627	1.6
70.06499	4.3
73.59321	1.6
74.89270	1.7
75.41257	1.6
81.75872	1.7
84.04455	3.2
85.02818	3.1
90.05418	1.9
92.63981	2.3
98.97537	3.4
100.11165	3.0
110.07117	2.4
116.98535	3.7
123.20277	2.0
130.06482	30.1
131.06833	3.4
132.01569	1.9
132.04533	2.0
134.99550	2.8
136.06146	10.8
146.06015	2.4
148.06140	3.8
154.60521	1.9
158.05969	3.9
162.05450	2.7
176.03358	7.5
176.07054	3.0
177.03934	2.6
184.02783	9.0
197.06004	2.9
202.03682	3.7
211.76573	2.0
217.08580	2.5
222.13431	12.5
223.13756	2.9
235.09674	2.6
236.82761	2.0
238.03812	3.3
265.04980	2.5
265.12213	14.8
281.11533	2.7
283.13205	58.2
301.04880	4.5
301.14288	100.0
319.05991	2.7
325.10858	3.7
325.14294	50.9
330.06775	2.1
342.66254	2.2
343.15271	23.5
363.05057	2.2
385.18851	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	385.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41010	0.9
54.82182	1.6
55.01798	2.7
55.05444	2.3
56.96505	2.3
57.03357	7.0
57.07000	7.0
59.04925	4.7
61.02845	2.5
61.73658	1.0
67.05431	10.3
69.03077	0.9
69.03349	13.9
69.06972	3.0
70.02862	6.4
70.06501	7.1
72.04416	17.0
73.02832	9.9
73.06441	5.1
74.02361	1.8
81.03337	5.5
85.02351	1.5
85.02826	30.0
85.06464	72.4
87.04379	2.0
88.02144	2.5
90.05481	87.0
95.04893	10.1
96.08060	1.9
97.02836	12.9
98.02330	12.6
103.05383	2.9
103.07546	2.2
107.04894	1.9
109.02833	2.7
112.07585	1.6
115.03872	1.4
116.03408	15.6
116.04919	2.0
119.04912	1.1
120.08051	62.6
121.08381	8.2
124.07549	29.1
126.59290	1.2
127.03870	6.3
128.03365	6.6
131.04930	1.7
134.05946	10.5
136.06186	2.1
142.08609	15.8
144.04381	5.6
145.04909	5.7
147.04489	1.3
158.05974	1.3
160.09619	1.7
162.05461	100.0
164.03391	1.6
166.08633	11.1
184.08073	1.7
184.09648	31.2
202.10716	45.9
204.06525	1.5
220.11752	92.6
237.02904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	2.5
56.04977	3.4
57.07013	14.9
66.54694	0.4
67.05437	5.0
69.06984	3.0
71.08546	8.0
81.06963	4.6
83.06026	26.8
83.08549	2.5
84.04430	100.0
85.02844	0.5
85.04724	0.8
85.09644	0.5
85.10096	3.9
88.07549	0.5
92.98790	0.5
95.08540	5.2
101.07085	7.1
102.05471	3.4
105.03685	0.5
109.10124	1.9
125.56865	0.4
129.06563	20.7
130.04971	94.1
131.05351	0.7
133.08421	0.4
137.79352	0.5
147.06447	0.6
147.07622	17.9
153.16631	0.5
239.23624	2.2
256.26248	5.7
321.29883	0.6
365.32297	0.4
367.29590	1.8
385.30133	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	386.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03970	0.2
52.63093	0.2
54.81854	0.2
55.01813	0.4
55.05459	0.2
57.03359	1.1
59.04940	0.2
61.02851	2.0
67.05444	0.3
69.03345	4.6
70.06482	0.3
71.04909	0.5
72.04443	0.3
73.02823	1.0
78.67479	0.2
79.05402	0.2
81.03330	1.5
83.04912	0.4
85.02830	12.5
85.06455	1.5
87.04379	0.4
90.05482	2.1
91.03897	0.5
91.05411	0.4
95.04861	0.3
97.02814	3.3
99.04382	0.5
106.06492	1.3
107.04887	0.4
109.02828	1.5
116.03375	0.3
116.04926	3.3
120.08058	2.3
124.07583	0.3
127.03854	1.5
130.06456	0.2
134.05978	8.8
136.03955	0.2
142.08589	0.3
144.04422	4.0
145.04948	1.3
148.07549	0.3
158.05984	1.1
160.03961	0.4
162.05470	100.0
163.05840	2.0
164.03398	1.1
166.08667	0.4
174.05530	0.5
176.07010	1.5
184.09567	0.4
186.05464	1.2
200.06970	0.3
202.10684	1.2
204.06546	2.0
206.04468	0.4
220.11707	2.1
224.05403	0.3
228.06535	0.4
233.37154	0.2
324.10733	3.7
369.17911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04061	2.1
53.41341	1.6
56.96508	100.0
56.96791	3.6
70.40572	1.7
70.87970	2.1
81.06992	2.7
83.23759	2.0
89.61351	2.0
90.05509	2.8
91.05410	3.2
95.08562	2.8
98.97505	16.9
107.08522	3.9
116.98573	33.0
117.03330	2.6
134.99626	39.4
135.04375	4.0
143.08546	2.4
145.02748	3.4
153.00645	12.6
165.04173	2.0
229.12224	3.6
241.08769	3.6
259.10034	5.1
285.07947	3.2
303.08939	12.3
305.07050	3.3
321.06622	3.6
321.10046	66.2
322.10828	3.2
339.11130	19.5
345.10013	9.8
363.11124	57.5
364.38477	2.4
386.12857	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	386.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	2.4
55.01810	3.5
55.05226	2.0
55.05451	35.9
56.05151	1.4
57.03372	39.4
57.07005	1.9
57.49655	1.3
65.03832	2.2
67.05079	3.2
67.05426	76.1
69.06983	23.8
71.04898	2.4
79.05407	79.1
79.05862	3.6
81.06507	3.3
81.06973	84.0
83.04911	4.1
83.08521	12.5
84.60277	1.8
85.06468	2.7
91.05404	70.7
92.10960	4.2
93.06969	100.0
95.04887	9.5
95.08521	51.3
97.06470	2.5
97.10081	4.3
99.07991	2.6
105.06966	71.3
107.08540	59.5
108.97594	1.7
109.06487	7.6
109.10104	27.7
111.08062	3.0
117.06969	23.8
119.08525	57.0
121.10090	37.9
123.08010	2.7
123.11655	7.5
125.09545	3.4
128.06255	2.5
129.06950	12.2
131.08536	36.5
133.10089	43.2
135.11655	30.2
143.08525	4.2
145.10092	25.5
147.11662	20.8
149.09584	2.1
149.13193	15.2
157.10107	3.3
159.11681	18.9
161.13219	11.6
163.11073	3.2
171.11647	8.9
173.13187	7.3
175.14781	6.8
177.12732	2.8
185.13185	12.0
187.14746	12.6
199.14806	3.0
201.16484	2.3
205.15848	7.8
213.16376	2.1
229.14314	2.5
231.20947	2.6
240.70905	1.7
241.19475	11.4
246.91150	1.6
259.20502	29.2
277.21521	18.6
351.25229	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59686	1.7
53.03878	2.6
55.05448	28.4
57.03135	1.8
57.03374	31.4
57.07008	2.1
67.05078	2.7
67.05426	70.7
69.06989	21.5
70.54719	1.6
79.04958	3.3
79.05406	81.4
81.06969	78.5
83.04854	2.1
83.08525	13.2
85.06452	4.0
87.69359	1.8
91.05403	67.0
93.06968	100.0
95.04884	10.8
95.08526	53.1
97.06440	8.3
97.10075	4.6
99.08038	4.3
105.06972	62.2
107.08532	55.0
107.09214	3.7
109.06465	4.2
109.10122	20.1
111.08048	3.6
117.06963	25.8
119.08530	47.0
121.10081	32.5
121.82191	1.7
123.08006	6.9
123.11593	3.8
125.09531	2.3
128.06201	2.2
129.06955	9.1
131.08514	32.4
133.10077	34.7
135.11635	24.8
137.09560	2.0
143.08537	6.8
145.10109	23.2
147.11639	25.8
149.13251	12.9
157.10114	4.3
159.11694	18.5
159.12862	1.8
161.13194	12.5
163.11090	2.7
163.14825	1.7
166.90111	2.0
171.11641	9.6
173.13196	7.7
175.14755	4.5
177.12666	4.5
185.13284	3.5
187.14801	13.0
205.15817	3.3
219.17358	2.4
229.14200	2.5
241.19421	7.7
259.20532	27.3
260.97995	2.1
269.17526	3.1
277.21536	11.6
291.07358	1.9
351.25256	29.4
356.34842	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2896
Annotation	(-)-Mycestericin E
Peak:m/z	Relative Intensity
52.54698	1.0
55.05448	2.6
56.04974	2.7
57.07012	12.8
63.37247	0.9
67.05431	2.8
67.27758	1.1
68.40803	1.0
69.06991	2.4
71.08538	9.6
81.06966	6.8
83.08537	1.9
84.04426	100.0
84.88976	1.0
85.10107	2.6
95.08518	9.1
101.45369	1.0
102.05473	30.0
104.99218	1.4
109.10097	1.9
130.04961	53.4
140.69038	1.0
148.06027	36.0
202.66527	1.2
235.13071	1.1
373.90146	1.3
385.28967	1.5
386.29288	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	386.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36517	1.2
55.05440	6.6
56.48066	1.1
57.06999	2.2
61.00238	1.2
64.16218	1.2
69.06984	2.8
71.43551	1.4
75.14565	1.3
79.05406	7.3
81.06992	2.1
83.08524	1.7
83.23847	1.3
87.41091	1.3
92.10853	1.6
95.04895	1.8
95.08485	2.2
105.06976	100.0
108.72956	1.3
110.49795	1.3
122.09614	14.0
146.07256	1.3
189.78397	1.5
239.54930	1.5
386.29477	3.0
386.34027	29.2
387.34116	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	1.5
55.01817	1.5
55.05445	2.0
56.96502	2.8
57.03373	4.3
57.07004	1.9
58.93530	1.1
61.53687	1.0
64.33411	1.1
65.03867	2.0
67.05131	1.0
67.05434	12.8
69.03356	9.3
69.06996	1.3
70.06511	6.9
72.08067	5.7
73.02840	1.8
79.05413	1.2
81.03350	9.4
81.06969	2.2
84.04431	5.0
84.08068	2.3
84.40087	1.2
85.02829	22.6
85.06457	2.4
86.09650	2.2
91.05408	59.7
92.10278	1.7
93.06973	4.6
95.04887	2.4
95.08527	40.3
97.02828	5.5
97.61234	1.0
98.97517	1.8
105.03363	1.5
105.06975	6.0
107.04935	2.1
107.08532	4.5
109.02837	2.6
109.10105	2.2
112.11185	1.1
113.05962	2.8
116.98543	2.0
117.03347	1.2
118.06506	6.8
119.04896	84.2
119.06808	2.8
119.08536	8.8
121.06467	1.4
121.10072	4.4
123.08012	12.8
123.11674	5.7
124.03898	1.9
125.06013	1.1
127.03930	1.7
129.03377	1.4
129.13911	1.7
130.05028	2.0
130.06470	8.2
131.06770	1.6
131.08527	1.6
132.02031	1.3
133.02879	1.1
135.04407	4.4
135.11688	2.6
142.03928	1.1
145.02840	2.6
145.10074	1.8
146.06050	5.2
147.04395	89.5
147.06247	3.5
147.11717	1.8
148.04761	1.5
149.01227	1.4
149.02287	2.8
149.09578	8.0
155.11810	1.4
157.03943	6.3
159.14606	1.3
160.07556	2.2
161.07898	5.9
161.13261	2.7
162.05476	2.1
163.03865	10.5
163.11148	4.4
164.04558	1.4
165.49681	1.3
168.09302	1.4
171.06361	1.6
175.03880	86.3
177.05461	2.5
179.06989	7.9
183.11650	1.8
188.07095	4.3
189.07375	4.7
189.12691	2.8
191.65144	1.1
203.05232	1.8
206.08090	8.3
207.06512	100.0
207.08325	6.5
207.13760	14.7
208.08649	2.3
209.02663	1.9
225.11017	1.9
225.14886	2.4
250.97600	1.3
282.02908	1.3
341.45947	1.3
343.17401	4.3
351.10776	4.5
359.61823	1.4
387.11401	1.9
387.16135	37.3
387.60864	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	387.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67689	0.6
53.03878	0.8
55.05452	1.6
55.12842	0.7
57.03362	0.9
67.05421	2.0
69.03338	4.8
69.06992	1.2
71.08546	1.1
79.05400	5.6
81.03331	1.6
81.06966	1.8
83.04887	1.2
83.87989	0.8
90.69646	0.7
91.05408	4.1
91.28162	0.7
93.06981	9.9
95.04904	2.0
103.05377	3.3
105.06970	100.0
107.81689	0.8
109.10110	1.5
118.80347	0.8
119.04900	1.4
119.08521	0.8
121.06432	7.5
147.04391	1.5
190.95387	1.2
329.98816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59626	1.7
52.38565	1.6
53.03867	3.2
54.82237	1.6
55.01806	2.6
55.05447	17.2
57.07003	25.2
67.05422	19.3
69.06981	14.3
70.50948	1.6
71.04888	12.1
72.45580	1.6
74.05982	4.5
77.71961	2.4
79.05393	8.7
81.06971	22.4
82.91747	1.9
83.04889	24.9
83.08547	2.9
87.48761	1.8
89.13750	1.9
91.05390	9.4
93.06967	12.1
95.04885	4.6
95.08514	12.7
97.06448	2.6
97.10068	2.3
101.05930	4.4
105.06976	7.1
107.08502	3.6
109.10091	4.2
112.06574	1.8
119.08501	8.9
121.10063	2.6
125.09535	2.3
137.09505	2.5
139.63579	2.1
143.63246	2.2
147.11649	4.7
175.01515	100.0
193.02486	4.2
202.65063	2.3
231.07874	4.8
250.33958	1.8
275.06650	4.3
277.21515	8.4
331.12976	51.4
351.24948	2.7
369.26233	11.7
387.18991	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	387.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01801	0.3
53.03894	0.6
54.81674	0.4
55.01796	0.5
55.05446	3.6
56.96492	0.5
57.03366	0.7
57.07004	4.9
58.06525	0.5
59.04920	0.9
61.02846	0.6
65.03859	1.1
67.05074	0.8
67.05427	23.2
67.05783	1.0
69.03338	5.4
69.06982	1.7
70.06513	1.8
71.04893	1.1
72.08073	1.7
73.02795	0.5
79.05395	3.0
80.01948	0.4
81.03318	3.5
81.06963	4.7
83.04881	2.2
83.08537	0.7
84.04440	1.1
84.08059	1.0
85.02337	0.7
85.02824	12.4
85.06467	10.3
86.09627	0.9
87.04372	0.5
89.03833	0.6
91.05399	17.6
92.05727	0.5
93.06969	8.7
95.04887	3.7
95.08529	100.0
96.08868	2.7
97.02831	2.0
97.06455	1.1
98.97502	0.9
99.04390	0.9
105.03316	1.8
105.06970	6.4
107.04884	0.7
107.08541	7.2
109.02818	0.5
109.06487	3.3
109.10094	3.4
110.07065	0.5
111.04387	0.5
111.08053	0.6
113.05964	5.7
116.98602	0.7
119.04893	21.1
119.08539	15.4
120.05232	0.9
121.06442	2.3
121.10097	7.6
123.08015	28.4
123.11646	8.1
124.03938	0.6
124.08362	0.8
125.05984	1.9
127.03914	0.6
129.06941	0.5
131.08539	2.3
133.10080	2.7
135.04355	0.7
135.07991	0.7
135.11649	11.4
137.09599	1.7
139.07533	0.7
141.09099	0.7
143.08508	0.6
145.02812	2.3
145.10121	0.5
147.03204	0.7
147.04376	20.0
147.05490	0.9
147.08052	1.0
147.11659	5.0
149.02292	0.8
149.09586	19.9
151.07535	1.8
151.14798	1.1
156.09361	0.6
157.03909	0.6
160.08850	0.5
161.13203	7.7
162.05521	0.6
163.03897	0.6
163.11128	4.3
164.04692	0.5
165.12711	5.6
171.11717	0.9
174.10352	2.3
175.03871	21.5
176.04207	0.8
177.05455	1.9
179.06920	1.0
179.14264	2.3
189.12685	8.4
192.04135	0.6
207.06497	28.0
207.13754	26.3
208.06865	1.7
208.14096	1.1
209.04396	0.6
214.65373	0.5
225.14882	1.9
238.34273	0.4
312.31195	0.5
369.11908	0.7
387.16052	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58543	5.3
54.81228	6.7
55.05449	5.8
56.96492	23.6
63.45343	6.2
67.05407	9.3
69.06976	6.4
81.06955	7.5
91.05397	7.5
108.54991	5.5
143.02730	6.9
199.06326	10.4
208.96336	7.9
217.07446	29.8
229.07437	49.3
247.08521	78.0
250.97469	8.7
261.83191	6.3
276.08752	6.0
293.36832	6.6
334.71057	6.3
347.38934	6.5
351.18329	14.1
369.19348	38.8
387.15836	8.5
387.20541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03865	2.2
55.01800	5.2
55.05196	2.9
55.05453	80.3
55.81033	1.8
56.96492	13.9
57.03373	35.5
57.07001	3.4
61.01545	2.0
67.05078	3.2
67.05426	76.7
69.06982	25.7
71.04913	8.6
71.08529	11.2
73.20387	2.2
79.05404	43.8
81.03311	2.5
81.06507	3.7
81.06976	100.0
83.04878	9.6
83.08543	60.4
85.06475	4.6
85.10078	2.0
91.05402	30.9
93.06976	61.4
95.04884	8.0
95.08545	27.0
97.06454	13.4
97.10086	3.3
99.08033	9.2
105.06945	16.5
107.04812	2.7
107.08532	31.6
109.06429	3.2
109.10076	4.7
111.07992	5.3
117.06970	10.1
118.25986	2.1
119.08543	8.7
119.09354	2.0
121.06446	2.6
121.10104	19.6
123.11654	8.7
131.08554	8.7
133.10097	13.1
135.11652	4.9
145.02786	2.6
147.11661	4.7
149.01181	8.9
149.13271	18.9
159.11659	8.9
167.02184	3.1
177.05386	2.4
190.95308	2.7
195.13762	12.6
207.06668	2.4
222.11873	2.8
229.07451	3.9
231.09016	9.7
247.08566	4.6
257.10284	4.5
259.12100	3.2
269.10706	15.6
269.17429	50.3
275.11340	2.7
277.21576	10.9
287.11652	14.6
351.18027	4.9
351.21674	3.1
369.19437	25.7
369.26227	3.5
387.20587	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81691	17.5
55.05445	21.7
57.07000	13.2
67.05423	66.0
68.60936	12.2
69.06982	21.3
73.06938	13.5
79.05389	29.8
81.03329	18.8
85.81321	15.3
88.07610	14.8
90.99019	15.8
91.05424	19.6
93.06980	26.9
95.04905	32.6
95.08519	36.8
97.06445	16.3
105.06963	72.3
107.08528	17.1
109.10130	27.7
119.08503	16.8
121.10081	18.5
121.45513	16.4
122.11570	14.8
131.39008	17.9
137.09589	18.3
190.95424	21.9
232.96594	24.7
250.97443	17.6
277.21588	30.5
283.07837	15.4
295.22617	100.0
369.25916	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2741
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
52.71426	2.4
53.03895	3.1
53.94413	2.2
55.01818	26.4
55.05453	77.0
57.03371	15.2
57.07006	12.1
57.33431	2.4
59.04945	3.0
67.05431	100.0
69.06651	4.6
69.06993	78.9
71.08534	6.1
74.05994	3.4
79.05410	64.6
81.03342	13.0
81.06980	75.8
83.04916	20.8
83.08542	23.7
91.05405	41.7
93.06459	2.9
93.06982	71.4
95.04900	28.2
95.08536	57.6
97.06477	15.7
97.10116	33.3
105.06973	16.8
107.04915	2.9
107.08559	28.3
109.06481	5.1
109.10110	41.0
119.08548	27.9
121.10084	26.4
123.08010	19.3
123.11677	5.9
125.09596	14.6
126.34463	2.9
127.97500	3.6
131.08530	4.7
133.10132	13.1
135.11668	12.1
137.09625	26.0
139.11171	14.2
147.08058	2.9
147.11690	6.5
151.11156	6.5
161.13258	5.9
165.12744	5.9
173.11661	4.4
175.01495	4.7
179.14316	4.2
189.11151	5.0
249.21983	6.5
259.20474	3.2
277.21616	56.8
291.59457	3.4
295.22653	23.8
351.25342	22.3
369.26385	57.5
394.42319	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	387.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03865	2.2
55.01800	5.2
55.05196	2.9
55.05453	80.3
55.81033	1.8
56.96492	13.9
57.03373	35.5
57.07001	3.4
61.01545	2.0
67.05078	3.2
67.05426	76.7
69.06982	25.7
71.04913	8.6
71.08529	11.2
73.20387	2.2
79.05404	43.8
81.03311	2.5
81.06507	3.7
81.06976	100.0
83.04878	9.6
83.08543	60.4
85.06475	4.6
85.10078	2.0
91.05402	30.9
93.06976	61.4
95.04884	8.0
95.08545	27.0
97.06454	13.4
97.10086	3.3
99.08033	9.2
105.06945	16.5
107.04812	2.7
107.08532	31.6
109.06429	3.2
109.10076	4.7
111.07992	5.3
117.06970	10.1
118.25986	2.1
119.08543	8.7
119.09354	2.0
121.06446	2.6
121.10104	19.6
123.11654	8.7
131.08554	8.7
133.10097	13.1
135.11652	4.9
145.02786	2.6
147.11661	4.7
149.01181	8.9
149.13271	18.9
159.11659	8.9
167.02184	3.1
177.05386	2.4
190.95308	2.7
195.13762	12.6
207.06668	2.4
222.11873	2.8
229.07451	3.9
231.09016	9.7
247.08566	4.6
257.10284	4.5
259.12100	3.2
269.10706	15.6
269.17429	50.3
275.11340	2.7
277.21576	10.9
287.11652	14.6
351.18027	4.9
351.21674	3.1
369.19437	25.7
369.26227	3.5
387.20587	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.4
55.77675	0.4
57.03368	0.7
57.33096	0.5
61.02840	0.9
61.35460	0.4
63.60853	0.5
65.03852	1.1
67.05433	0.8
69.03329	2.2
70.06470	1.7
72.08069	0.6
81.03333	1.9
85.02826	7.3
86.09625	1.2
89.59561	0.4
91.05404	2.6
93.06924	0.5
95.03636	2.9
95.04892	23.0
96.05217	0.5
97.02792	2.1
106.02854	1.0
107.03625	3.1
109.02822	0.5
110.05239	0.7
110.05992	22.6
110.07135	0.7
119.04888	3.2
120.04429	2.0
122.05977	13.0
123.04388	11.0
124.03915	1.0
131.08479	0.6
138.05473	9.3
141.05409	1.9
147.04402	4.8
149.04723	2.0
150.01883	0.8
151.02625	9.7
162.05431	0.5
165.04143	1.9
166.04958	100.0
167.05264	2.4
169.03683	0.9
175.03819	0.7
175.75237	0.5
190.42433	0.4
191.07048	3.4
194.04396	5.8
195.05200	0.8
207.06499	0.8
208.05928	0.6
282.02783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05677	6.0
55.05455	11.2
56.96265	6.5
56.96506	100.0
60.05555	6.6
62.05975	8.0
74.79994	6.6
81.06963	7.3
83.64417	7.5
86.09628	9.0
91.05376	9.5
98.97498	12.7
116.98555	17.5
134.99638	34.7
153.00659	8.5
208.96440	10.9
213.12688	8.7
259.06262	7.4
259.10104	15.5
261.77658	7.3
287.09393	38.9
305.10455	55.9
323.11514	68.1
341.12570	33.4
360.51889	7.5
365.12747	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	388.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05653	0.1
54.43251	0.1
61.69111	0.1
61.93484	0.1
68.07732	0.2
70.06494	0.3
73.29814	0.2
75.15710	0.2
79.05402	0.3
84.04458	0.3
85.02811	0.2
86.09633	0.2
91.05390	0.2
93.06957	1.0
103.05397	5.6
103.06066	0.3
107.04890	2.1
117.77121	0.2
119.04868	0.2
120.08053	100.0
121.08379	1.4
131.04898	2.9
134.05989	0.2
141.05479	0.2
145.72281	0.2
149.05965	1.5
162.05486	1.7
163.05847	0.4
166.08592	25.3
167.08922	0.3
183.14064	0.2
366.65659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82899	0.3
53.00237	0.4
55.05448	3.2
56.04976	76.4
57.03351	0.5
57.06739	0.7
57.07014	19.9
61.01081	44.9
67.05432	6.2
69.06984	2.3
69.64018	0.5
71.08553	11.6
74.02344	2.5
74.05984	3.7
75.02621	0.4
75.13941	0.4
75.70203	0.4
79.05404	0.8
81.06970	6.1
83.08543	3.7
84.04425	0.9
85.02823	2.0
85.10107	5.2
87.02630	7.4
95.08537	9.2
97.10070	1.8
102.04800	0.6
102.05482	14.7
104.05270	100.0
105.03677	0.5
109.10108	3.4
111.20309	0.4
118.01758	0.4
123.16233	0.4
133.03160	60.9
150.05821	72.8
191.41930	0.5
264.26923	1.9
294.27869	4.0
304.81079	0.4
340.28439	14.8
342.27933	0.6
351.48068	0.4
363.74655	0.5
368.60983	0.4
388.28735	2.3
389.31464	2.1
389.40060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.7
55.05457	21.2
57.03371	2.6
57.07015	10.2
60.10300	2.6
63.13988	2.6
67.05079	3.7
67.05428	100.0
69.06969	14.8
69.28922	2.9
70.70076	2.5
76.31627	2.7
78.63161	3.5
79.05408	71.7
81.06973	91.8
83.08529	5.9
85.06447	3.2
85.31449	2.9
91.05412	23.1
93.06975	65.3
95.04898	3.3
95.08540	84.4
95.95693	2.6
97.06424	3.7
105.06971	22.5
107.08548	37.6
109.10107	24.9
111.08073	3.4
111.99564	2.8
117.06948	13.6
119.07716	3.2
119.08544	16.0
121.10096	31.6
123.11642	11.9
129.45345	2.8
131.08530	17.3
134.71700	3.1
135.11609	20.5
145.10078	12.9
147.11699	4.4
149.13213	19.4
151.14719	3.0
157.81776	2.9
159.11655	6.4
161.13348	5.0
163.14809	12.3
173.13210	12.8
174.83534	3.1
175.01547	4.2
177.16277	3.4
178.51765	3.4
195.57161	3.1
211.94490	2.9
243.20926	20.5
261.22083	46.2
335.25632	4.3
353.26703	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	388.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00228	1.0
53.03875	1.5
54.62982	0.7
54.82189	0.8
55.01805	1.0
55.05449	17.5
57.03364	3.0
57.07019	7.3
65.03850	2.9
65.88810	0.6
67.05425	100.0
68.05743	0.9
69.06989	15.5
71.04909	1.0
71.08523	3.8
75.04368	0.6
79.05405	69.4
80.05706	0.7
81.06971	88.7
83.04889	1.3
83.08528	10.5
85.06450	4.1
85.10095	1.4
91.05402	34.9
92.05716	0.7
93.06969	90.2
94.07307	0.9
95.04871	7.3
95.08529	73.1
97.06419	5.3
97.10098	3.7
99.07999	4.1
105.04471	0.7
105.06973	27.1
106.07314	0.9
107.08533	46.7
108.08877	1.1
109.06470	4.5
109.10100	20.9
111.08060	2.1
113.09581	3.0
117.06966	14.6
119.08526	13.5
121.10090	36.8
122.10376	0.9
123.08009	1.5
123.11644	6.7
130.07791	0.7
131.08527	33.9
132.08919	0.7
133.10085	12.1
135.11632	22.7
137.09599	0.8
137.13258	4.8
145.10088	16.4
147.11665	9.4
149.09525	1.3
149.13242	18.3
151.14778	1.3
159.11658	11.5
161.13220	8.0
163.11107	1.2
163.14772	12.0
165.16371	1.2
167.14299	0.9
173.13203	14.1
175.14738	2.9
177.12712	1.6
177.16354	6.9
179.14302	1.2
187.14771	8.0
191.14297	1.1
201.16284	2.5
205.15823	1.2
215.17863	0.9
217.19582	1.0
219.17433	1.0
233.18901	1.5
233.22594	6.5
243.21001	32.0
244.21236	1.1
261.22061	64.1
262.22467	2.8
263.23718	0.9
279.23184	1.4
335.25607	5.4
353.26840	19.2
354.27118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02259	0.8
53.03878	2.2
55.05453	15.8
57.03372	1.8
57.07006	7.4
57.84184	1.0
58.68510	0.9
67.05428	100.0
69.06995	15.2
71.04874	1.2
71.08549	4.5
79.05409	73.6
79.75814	0.9
81.06974	90.7
82.10990	1.1
83.04858	1.5
83.08541	10.5
84.23189	1.2
85.06475	2.4
85.10127	2.0
91.05414	37.4
93.06973	92.0
95.04887	5.7
95.08533	74.3
97.06456	2.6
97.10081	2.6
99.08018	2.4
105.06966	25.5
107.08541	45.9
109.06475	2.7
109.10123	22.1
111.08044	1.6
113.09595	2.0
114.36279	1.1
117.06968	11.3
119.08540	15.0
121.10101	33.0
123.08052	1.3
123.11646	2.7
131.08536	29.3
132.08795	1.1
133.10078	9.7
135.11664	23.0
137.13164	1.5
145.10081	18.9
147.11691	11.7
149.09578	1.7
149.13243	17.5
151.14828	2.1
159.11681	12.6
161.13231	9.5
163.11195	1.3
163.14774	14.8
173.13208	13.8
175.14841	2.4
175.78311	1.3
177.12709	1.4
177.16376	6.0
187.14758	8.2
201.16339	2.2
208.31035	1.2
233.19057	1.5
233.22647	4.8
243.21042	27.6
261.22083	57.5
261.93326	1.1
315.45605	1.3
335.25696	6.0
353.26843	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	388.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	3.9
56.04968	23.3
57.07006	21.5
58.06535	4.6
61.01082	11.6
62.99002	3.2
67.05416	2.7
69.07001	3.7
71.08553	20.6
77.00542	3.6
81.07001	5.6
85.10108	4.4
87.02634	2.5
95.08537	5.5
99.08679	2.4
104.05261	34.9
105.03672	69.4
109.10125	3.1
114.39914	2.3
117.60744	2.1
117.97617	2.5
121.30596	2.7
122.06324	14.2
133.03127	20.8
133.91922	2.3
144.44325	2.8
150.05843	24.3
189.31694	2.6
214.04713	2.2
323.71542	3.0
324.32538	100.0
325.32999	2.8
340.28174	4.6
358.37213	2.9
388.32385	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	388.357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07004	9.4
63.69253	1.6
70.00726	1.4
71.08533	3.0
72.04430	9.1
81.06954	1.9
90.57967	1.5
95.04870	1.6
95.08569	1.4
103.05378	2.0
105.06973	100.0
106.07308	2.0
106.74297	1.9
115.41105	1.7
119.22659	1.4
122.09606	13.7
125.53067	1.7
132.04721	2.9
154.91014	1.5
156.16656	1.7
222.61456	1.5
288.49014	1.7
388.35641	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58101	0.2
56.96508	0.3
60.76281	0.1
69.03341	0.3
70.06510	0.3
79.05397	0.3
84.04404	0.4
84.08083	0.3
86.09612	0.7
91.05401	0.9
93.06967	1.5
103.05398	6.5
104.05727	0.2
104.48549	0.2
105.13878	0.2
107.04897	2.1
110.07078	0.2
120.08054	100.0
121.02783	0.3
121.07562	0.3
121.08392	6.4
124.03930	1.3
130.05029	0.2
131.04871	2.9
147.04466	0.2
149.05959	1.3
162.05450	2.4
162.06363	0.2
166.08594	20.8
167.08968	1.9
216.21765	0.2
411.50806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81536	1.3
58.12293	1.1
63.37966	1.2
69.03342	2.0
70.06513	3.3
71.66472	1.3
72.08051	2.2
73.02846	1.5
76.02162	1.5
76.55830	1.4
84.04408	1.8
84.08078	2.7
85.02820	3.0
86.09626	5.7
91.05392	6.7
92.64346	1.4
98.97529	1.9
105.03333	24.6
105.06966	3.2
107.04899	5.7
116.07057	1.3
116.98574	3.3
119.04882	1.9
119.08454	2.1
123.04367	1.8
124.03911	1.6
133.10063	6.8
134.99626	1.9
140.87770	1.6
141.01773	1.6
145.02768	2.6
146.05975	9.2
147.04349	10.6
163.03914	1.6
175.03897	2.0
177.05489	2.8
179.07034	5.8
182.05765	2.9
197.08083	3.3
209.91240	1.6
227.12450	1.9
228.06264	36.6
237.02809	2.2
238.03667	1.8
266.03333	2.8
389.17868	12.1
390.11499	100.0
390.17999	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	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79657	0.4
53.03878	4.2
53.97448	0.5
55.01805	1.1
57.03357	1.2
69.03347	10.6
78.03374	10.9
80.04922	2.5
81.03333	20.2
84.04413	1.1
85.02831	11.1
87.04372	1.2
96.04408	6.7
97.02814	6.2
99.04360	3.6
106.02853	64.0
109.02838	10.1
121.02831	1.3
124.03906	100.0
127.03868	4.0
128.43382	0.8
228.08644	0.7
232.06041	1.0
250.07036	9.2
268.08072	27.1
390.13922	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	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	3.6
55.01805	0.7
57.03356	1.7
61.02842	0.4
64.83717	0.4
66.56388	0.3
69.03345	10.6
69.50021	0.3
71.04903	0.5
73.02810	0.5
74.06020	0.4
78.03368	11.3
80.04924	2.1
80.35168	0.4
81.03335	17.3
84.04443	0.7
85.02824	9.4
86.09618	0.6
87.04381	1.0
96.04407	6.5
96.38293	0.4
97.02816	5.4
99.04368	2.7
106.02854	58.3
107.03173	0.8
109.02830	9.6
124.03906	100.0
125.04277	0.6
127.03851	3.3
137.05942	0.6
153.93054	0.4
166.04951	0.9
166.07678	0.4
219.66182	0.5
228.08568	4.0
232.06003	1.0
250.07039	9.6
268.08072	25.0
268.10980	0.8
361.48889	0.6
390.13742	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	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	1.3
55.01802	0.4
57.03377	4.3
62.06018	2.4
64.33634	0.4
69.03356	0.5
70.06507	2.1
72.08067	0.5
73.02829	1.5
74.05980	0.8
79.05405	6.5
84.04423	1.7
84.08047	0.5
85.02840	4.6
86.06022	0.4
91.05414	4.9
95.01264	2.6
95.04900	4.7
97.02811	0.7
98.97527	0.4
105.03339	100.0
105.06982	2.7
106.03683	1.6
113.02263	1.2
116.98581	0.4
119.08541	0.5
121.06505	0.9
123.04377	7.8
123.05233	0.5
124.07527	0.4
127.03819	0.5
129.06944	3.3
131.03345	0.4
133.06436	0.6
133.10085	0.6
141.01785	2.8
143.57013	0.4
147.04382	0.7
147.08044	7.4
149.02460	0.4
161.05894	0.9
165.09076	1.5
170.08144	0.5
177.05455	0.5
179.07004	24.7
197.08073	8.5
345.07352	0.5
355.10205	0.7
391.09869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30301	0.6
52.88536	0.6
53.03890	0.9
55.01806	0.7
56.96504	0.7
57.03364	1.6
59.74030	0.7
61.02866	2.4
65.18391	0.8
69.03349	8.0
70.06494	1.0
70.32272	0.6
71.40925	0.7
72.08047	0.8
73.02796	1.2
75.07323	0.6
76.03919	0.6
79.05396	1.0
81.03344	3.4
81.06973	0.7
84.08052	1.0
85.02351	0.9
85.02827	23.3
86.09606	1.1
87.48839	0.7
91.05405	59.3
93.06937	0.9
95.04877	0.9
97.02816	6.2
98.97495	2.9
103.05378	1.3
105.03323	1.5
105.06971	3.8
109.02839	1.6
109.06459	0.8
116.98547	1.4
117.06981	0.9
119.01698	0.7
119.04898	3.9
119.08513	8.4
121.02807	2.9
121.06451	10.1
124.03895	3.5
127.03854	2.6
128.06157	0.7
129.06963	55.9
131.08536	36.2
133.06447	0.9
133.10158	0.8
136.72598	0.7
145.02811	1.5
145.04936	1.2
145.10089	0.8
146.99640	1.2
147.04396	5.4
147.08026	100.0
149.02356	1.0
162.05466	1.7
165.09079	35.1
175.03934	1.2
175.07495	8.2
177.05406	2.8
207.06435	2.8
211.09621	14.1
215.05679	0.7
237.02733	3.1
248.20079	0.7
351.80960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.8
55.01805	4.3
56.04973	0.7
57.03367	1.5
61.02843	3.7
62.05989	2.6
69.03340	7.8
70.06498	1.7
72.08073	0.7
72.75105	0.6
73.02846	1.2
79.05400	7.5
81.03317	4.7
84.04424	10.5
84.08067	1.1
85.02823	19.2
86.09636	1.0
87.04367	0.9
89.03805	0.9
91.05409	10.9
95.04881	1.6
96.04376	0.8
97.02798	7.3
98.05972	0.9
103.05378	7.4
105.03343	0.9
105.06971	76.7
107.04890	3.8
109.02814	1.3
109.06459	2.5
110.05938	1.2
110.69901	0.7
115.05402	15.3
115.70148	0.7
118.04086	6.4
119.04897	10.1
121.06441	1.3
123.08017	1.0
127.03862	2.7
129.06911	0.9
130.04953	3.1
131.04890	2.5
133.06450	72.3
138.05411	1.1
140.03426	3.0
143.04976	0.9
143.05983	5.2
145.04976	1.1
147.04375	4.9
147.08051	2.5
149.05919	2.7
151.07484	3.6
153.05438	6.4
154.04951	0.9
155.05745	20.7
161.05937	100.0
162.05385	1.6
165.04144	1.1
165.09023	0.9
167.07001	3.3
168.07765	3.4
169.07300	1.4
170.08086	23.7
179.07039	0.9
180.08694	0.8
192.06485	3.8
193.08557	45.5
193.10339	1.6
196.07208	2.7
211.09578	9.7
219.53468	0.7
228.08597	14.6
282.02795	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	390.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82095	1.6
56.96501	91.7
61.99392	1.8
65.03857	1.7
67.05411	2.1
67.31540	1.4
69.06973	6.4
71.08566	1.8
71.95164	7.5
72.95953	1.9
74.97534	1.5
79.05387	1.8
81.06965	6.6
81.07420	1.8
84.95955	2.1
91.05434	2.4
93.74853	1.7
98.97501	7.2
110.16499	1.5
116.98543	14.3
117.14886	1.8
123.01109	1.7
128.98534	7.0
134.99599	23.0
137.02699	2.2
141.02240	3.0
146.99622	22.7
149.02303	17.9
153.00659	7.8
155.03773	4.0
165.00606	7.4
169.01675	2.4
171.03226	2.4
177.34669	1.7
181.05229	1.7
183.03207	2.2
185.04916	2.1
187.02742	6.8
189.04272	6.8
197.04796	2.7
199.06305	6.8
203.05896	8.6
205.05341	1.6
205.07237	2.3
207.06911	2.1
211.06416	2.5
212.82198	1.6
213.07947	4.0
215.05893	2.0
217.07411	20.4
221.08481	3.4
223.02693	1.8
223.08412	3.7
225.07863	2.4
229.07420	2.6
231.08835	3.1
237.07893	2.6
239.09509	7.7
243.09042	3.4
245.12077	2.9
251.09485	9.5
253.10977	2.0
255.08961	7.5
257.10468	2.4
263.09430	6.0
263.13126	3.7
269.10403	8.1
273.09933	6.8
275.09418	2.0
277.11130	20.5
279.12683	7.6
280.09738	2.3
281.10437	10.7
283.12134	2.1
291.12589	2.7
295.12048	13.8
297.13733	1.6
299.11526	7.7
307.11957	3.5
325.13116	8.4
331.15662	43.3
349.16769	100.0
350.17105	3.3
367.17847	65.0
372.18408	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	390.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.3
54.83312	0.1
55.01805	0.1
55.05446	0.3
56.96497	0.1
57.03361	0.2
60.28557	0.1
61.02845	0.2
62.12249	0.1
69.03343	0.8
70.06510	0.2
72.08047	0.2
73.02815	0.2
73.06461	0.5
81.03309	0.2
84.04421	0.1
84.08054	0.2
85.02834	1.7
86.09637	0.2
87.04388	0.2
91.05407	2.2
93.06979	6.0
95.04906	1.2
97.02821	0.5
98.97530	0.2
99.52196	0.1
103.05402	3.4
106.02865	0.5
109.02777	0.2
116.98583	0.2
119.01931	0.2
121.06463	100.0
122.06779	1.4
124.03909	0.3
127.03872	0.5
131.01820	0.2
138.09123	13.7
139.09467	0.1
145.04938	0.3
149.02347	0.7
161.02971	0.6
164.05235	0.2
173.02956	0.5
177.00728	0.3
185.02928	0.2
191.07581	0.2
200.50737	0.1
219.07874	0.8
219.58081	0.2
237.02826	0.2
245.04991	0.9
275.09705	0.2
376.37866	0.2
392.82272	0.1
414.79526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.2
55.01799	2.9
55.05439	6.7
57.03356	1.4
61.02848	1.4
65.11901	1.1
67.05428	11.6
67.66888	1.1
69.03340	15.4
69.06974	2.7
71.04900	1.3
71.16656	1.1
73.44318	1.1
79.05408	25.7
81.03336	22.2
81.06969	18.3
82.55409	1.1
83.04897	9.6
85.02824	11.6
87.04391	1.4
91.05402	55.7
93.06966	20.9
95.04898	14.1
95.08526	2.5
97.02822	8.0
97.06460	3.1
99.04377	3.1
100.11189	2.2
103.05385	2.0
105.06976	70.8
107.04869	11.5
107.08549	12.2
109.02819	3.0
109.06454	15.3
110.44944	1.3
111.04365	1.7
111.44245	1.2
115.05367	2.1
117.06931	12.6
119.08542	19.6
121.06451	13.1
121.10065	2.6
123.04376	2.1
123.07981	4.6
124.32850	1.2
125.05939	8.1
127.03873	2.1
128.06160	2.8
129.06958	10.5
131.08536	47.4
133.06464	9.1
133.10088	100.0
135.08038	5.2
137.05928	6.8
139.07556	1.6
141.06979	1.6
142.07719	2.6
143.08492	8.7
145.06458	7.7
145.10085	14.3
147.08017	10.4
147.11658	22.0
149.02295	2.3
149.09593	7.9
151.07535	9.6
151.11125	6.7
155.08511	2.1
157.10078	7.9
159.07996	4.8
159.11716	2.4
161.05937	1.2
161.09631	2.9
163.07547	6.5
165.09081	2.3
167.08582	1.3
169.10110	2.6
171.08015	1.9
171.11575	2.8
173.09592	7.0
175.11150	23.3
177.09064	5.9
181.10139	2.9
183.11708	1.9
185.09563	6.5
187.11130	5.7
191.10657	2.2
193.12181	23.1
195.11653	2.7
199.11121	5.7
204.93068	1.4
205.12163	5.0
213.12747	1.9
215.10728	1.6
217.12196	3.0
231.13698	2.4
233.11551	2.3
241.12193	5.0
251.12611	1.8
259.13217	6.0
283.13239	1.7
295.15231	1.9
301.14294	10.0
314.33212	1.3
319.15298	16.6
337.16476	22.4
338.16486	1.2
343.94345	1.4
355.17447	9.7
367.91245	1.4
401.38406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	2.4
55.05451	21.3
57.03365	2.5
57.07008	56.6
61.73505	2.2
67.05134	2.6
67.05432	44.8
69.06989	35.9
71.08547	63.0
75.85812	2.3
79.05392	5.6
81.06516	2.7
81.06973	76.7
83.08524	30.1
85.10099	27.7
90.74794	2.5
91.05399	9.3
93.06969	11.7
95.04848	2.7
95.07961	4.1
95.08529	79.6
97.06441	2.7
97.10092	15.3
105.06998	4.2
107.08560	3.9
109.10111	37.3
111.08056	3.7
111.11652	4.7
119.08515	5.1
121.10089	5.3
123.11665	13.1
124.27402	3.2
125.18365	2.1
127.89175	2.2
133.10120	5.6
137.13252	3.7
147.11635	3.4
149.02312	67.8
155.14232	21.6
161.13220	3.1
167.03340	4.8
183.37222	2.4
235.23862	2.7
245.22615	10.9
263.23740	9.5
281.24622	4.1
299.25793	12.4
355.28317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00221	0.6
56.04958	0.5
57.07010	14.5
57.63703	0.5
58.06520	0.7
66.06927	0.5
66.39947	0.5
69.06960	0.8
70.06140	1.0
70.06508	27.2
70.38293	0.5
71.08549	6.7
72.08042	0.7
74.03199	0.6
84.08072	3.8
85.10086	2.3
86.05989	0.6
86.09631	2.3
88.07550	24.3
99.78908	0.5
102.09117	5.1
106.08591	0.9
114.09118	13.2
118.08575	2.4
121.02847	1.8
130.08664	0.6
132.10164	42.4
149.02321	25.5
162.11232	0.7
167.03389	1.2
176.12791	6.4
194.13838	9.0
207.99443	0.5
270.27826	1.1
284.29373	8.2
302.30457	4.4
346.32996	3.3
390.35681	100.0
391.36017	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05432	0.8
57.06740	0.7
57.07010	14.7
58.06520	4.2
67.05408	1.7
68.04943	0.7
69.06966	0.7
69.21309	0.6
70.06506	38.1
71.08546	6.3
72.08066	4.8
81.06974	1.6
84.08073	4.8
85.10091	1.6
85.39859	0.7
86.09628	6.2
88.07547	9.7
89.05944	0.7
95.08562	1.5
97.71672	0.6
102.09112	3.9
111.99819	0.7
132.10158	13.7
146.11725	15.7
149.02318	9.8
172.00960	1.2
177.00131	5.2
199.01509	3.2
210.35533	0.7
217.02647	0.8
220.90706	0.7
239.03694	0.9
240.26845	4.6
245.22560	1.1
266.28357	1.3
284.29410	13.3
293.25641	0.7
328.32016	69.1
329.32275	0.7
358.34219	0.9
390.35672	100.0
391.35626	1.6
408.70105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.5
57.06771	0.6
57.07011	9.9
61.02845	0.6
63.80309	0.5
65.03856	0.7
69.03342	1.1
70.06507	3.1
71.08547	10.0
73.10756	0.5
81.03335	0.5
84.04371	0.5
84.08050	1.0
85.02842	4.6
93.03282	0.6
97.02801	2.0
105.03381	0.4
108.04433	0.8
110.05943	0.5
112.11177	0.5
113.13261	0.6
116.07090	0.4
116.98537	0.8
119.41364	0.4
119.52232	0.4
121.02834	5.1
121.64137	0.5
136.03915	3.0
136.07552	0.8
138.05518	2.3
139.38028	0.5
147.04280	0.6
149.02324	100.0
151.02637	11.2
154.04985	2.6
155.05316	0.6
163.05290	0.5
164.03407	10.6
166.04965	34.1
167.03354	6.3
169.03691	3.5
170.43387	0.5
176.03386	1.8
177.41002	0.5
179.02103	10.2
194.04465	60.6
195.04878	0.6
212.05528	11.8
230.14063	0.5
392.09436	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	391.196
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
51.56781	0.4
53.00250	0.7
53.03884	0.6
54.65451	0.5
55.01805	0.5
55.05444	3.1
56.96498	3.0
57.03389	0.7
57.07019	12.7
59.27670	0.5
61.02846	0.9
65.03870	1.3
67.05424	7.2
69.03350	3.1
69.06987	5.6
70.06509	1.4
71.04914	0.9
71.08552	8.2
72.08050	0.6
73.02831	0.9
79.05413	7.5
81.03333	1.4
81.06986	5.5
83.04884	3.3
84.04444	0.8
85.02834	8.2
85.06474	1.1
86.09615	0.9
89.37341	0.6
91.05409	26.6
93.06966	8.1
95.04903	5.6
95.08546	0.8
97.02820	2.6
98.47845	0.6
98.97529	0.7
105.03323	2.8
105.06976	26.8
107.04891	2.5
107.08510	3.0
108.21775	0.6
109.06479	7.0
109.10132	1.3
110.06019	0.9
116.98547	1.3
119.08548	4.5
121.02827	5.0
121.03921	0.8
125.05930	2.6
127.03890	1.0
130.06508	4.4
131.00320	0.7
131.08534	10.1
133.10101	88.0
134.10435	2.4
134.99628	1.2
137.05954	3.6
139.79309	0.6
145.04901	0.8
146.06000	8.5
146.99728	0.7
147.11688	8.9
149.02322	100.0
151.07455	0.9
151.11162	11.4
155.07028	3.2
157.10204	0.6
166.04936	1.3
167.03369	6.2
174.05458	0.8
175.11189	5.3
177.00771	1.2
191.02299	0.9
191.87820	0.6
192.06509	0.6
193.12219	15.0
194.04610	2.0
195.05330	0.7
199.75044	0.7
205.54080	1.1
211.13300	6.4
266.03351	2.7
267.09024	2.3
285.09961	6.4
286.56775	1.2
309.10004	1.1
327.10803	0.8
391.15927	0.9
392.07001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13928	0.7
55.05444	5.7
57.07016	11.2
60.10586	0.8
64.41120	0.9
65.03867	1.5
67.05431	4.7
69.06970	7.6
71.08540	10.5
81.06966	6.9
83.08546	3.7
84.39322	1.0
86.06000	1.1
91.05355	1.0
93.06981	1.9
95.08525	5.0
97.10084	1.9
98.98411	1.1
109.10139	1.0
117.70184	0.9
121.02825	4.6
135.11668	1.3
135.84357	0.9
144.40884	0.9
149.02319	100.0
155.24254	1.1
167.03348	4.4
355.28253	5.4
356.28836	5.3
373.69702	1.0
391.24475	86.8
392.24832	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25119	0.6
52.50151	0.6
54.98178	0.7
55.05451	8.1
55.19421	0.6
57.07015	12.1
58.06568	0.7
67.05414	5.7
69.06986	10.8
70.07285	0.9
71.08547	9.3
79.05394	3.1
81.06983	12.1
83.08516	7.4
84.08875	1.4
86.05981	1.0
91.05391	1.5
93.06950	4.6
95.08518	6.1
96.08839	1.5
97.10119	3.3
105.06998	1.2
107.08516	1.2
109.10098	3.0
121.02795	6.9
121.10107	2.8
149.02321	100.0
167.03358	6.9
179.18051	0.9
185.03458	0.8
263.23700	0.9
355.28214	6.9
356.28690	7.0
391.24451	72.1
392.24600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	0.5
56.96493	0.9
57.07009	9.6
58.06527	4.6
65.03846	1.1
69.03337	0.8
70.06516	3.6
71.08538	8.1
72.08061	0.7
84.04441	2.6
84.08057	12.8
85.02826	0.8
86.09643	2.3
91.05382	0.6
98.09628	4.9
99.09190	0.6
100.07539	10.2
101.07039	0.7
101.57195	0.6
107.04903	4.2
110.07112	1.3
110.09664	0.6
112.07539	0.6
112.11185	22.8
112.25307	0.6
113.03410	0.6
113.07065	15.5
113.07810	0.8
114.09128	1.1
119.04885	5.7
121.02805	6.6
123.05616	0.6
124.03962	1.7
129.13809	5.2
147.04381	24.0
147.05498	1.0
147.86897	0.5
149.02309	100.0
155.11766	6.8
157.13261	0.7
167.03336	6.9
171.09129	0.5
171.14897	3.1
189.00743	0.7
190.96310	0.6
193.50429	0.6
197.12820	8.5
204.10097	5.3
212.17430	0.6
218.72729	0.6
228.20667	0.8
233.09048	0.7
245.23279	4.0
246.32796	0.6
254.18646	5.1
256.20169	2.5
271.21179	7.6
275.17508	0.6
285.22855	0.7
288.76343	0.6
391.11923	2.5
391.26944	32.3
392.09390	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	391.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	4.2
57.03355	0.4
57.07012	11.4
65.03849	0.7
67.05439	3.7
69.06979	2.3
70.23071	0.4
71.08170	0.7
71.08543	9.4
79.05412	2.0
81.06973	5.2
82.06490	0.7
83.08523	2.8
83.56208	0.4
83.75512	0.4
85.06475	0.5
91.05397	2.0
93.06965	3.3
95.08521	3.0
97.06466	0.6
105.06969	2.8
107.08527	3.3
109.06474	2.7
109.10099	2.3
117.06960	1.0
119.08498	2.2
121.02830	5.3
121.06467	0.7
121.10053	1.8
123.08025	0.6
131.08505	0.8
133.10074	1.6
135.07997	0.6
135.11668	1.5
137.09641	0.5
145.02766	0.6
145.10016	0.6
147.11647	0.9
149.02312	100.0
150.02676	1.7
159.11642	1.0
161.13187	0.6
163.59181	0.4
165.12849	0.4
167.03331	5.7
177.12688	2.9
181.24025	0.4
188.83940	0.4
190.04979	0.7
229.19350	0.7
231.12036	0.5
247.20525	2.6
264.23141	16.7
355.27301	0.6
373.28442	9.2
391.29434	18.4
392.29321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96492	1.2
57.07010	9.5
58.07340	1.0
70.06490	2.8
71.04884	1.0
71.08541	7.9
72.08063	1.3
84.04415	1.6
84.08044	1.4
84.21278	1.1
85.02827	1.8
93.62170	1.2
98.97524	10.8
116.98544	7.8
121.02806	4.6
126.03669	1.8
130.06476	2.2
134.99614	4.1
144.04756	4.4
149.02313	95.5
150.02641	14.7
158.99628	1.7
167.03333	4.9
167.07028	2.6
177.00670	5.1
207.05379	1.3
230.04193	7.3
270.28455	1.1
272.55096	1.3
313.96173	1.1
318.61725	1.4
363.27176	1.2
392.09430	100.0
393.09674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89933	1.3
56.40356	1.0
56.96235	2.0
56.96504	29.3
56.96770	2.5
57.07006	15.6
58.07338	1.6
58.67193	1.2
65.03868	2.2
71.08543	9.9
71.95186	1.9
74.62854	1.2
81.06967	2.0
90.65111	1.4
91.29839	1.4
93.34864	1.4
110.97446	1.3
111.84524	1.3
118.78467	1.2
121.02823	2.7
128.98605	6.0
133.01726	1.4
146.99635	9.9
149.02321	100.0
150.02631	22.1
160.00465	2.0
162.69476	1.4
164.03629	1.5
165.00603	1.7
166.01306	1.4
167.03445	8.7
171.03191	2.9
173.04782	3.2
180.43060	1.3
181.05095	1.4
181.27888	1.3
185.04770	2.7
189.04332	2.7
192.88753	1.4
199.06323	10.0
201.04265	1.6
201.08047	1.8
203.05939	6.9
211.06314	1.7
215.02252	3.1
217.07446	22.5
219.08989	2.4
223.60007	1.4
225.07921	1.5
227.05934	1.5
229.07454	31.1
231.09073	8.3
239.05840	2.3
243.09232	1.9
247.08456	44.1
255.09068	1.8
257.06979	2.9
258.07666	6.0
267.08926	3.2
269.10608	9.4
273.09863	2.4
275.07895	3.1
276.08792	5.7
285.10123	7.0
287.11584	7.4
309.17163	2.0
333.17300	2.5
339.74478	1.6
351.18329	14.6
369.19397	31.1
387.20453	7.0
392.20831	2.9
392.31299	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	392.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.6
55.38103	0.4
56.96499	24.6
57.07016	5.7
58.10343	0.4
67.05425	0.5
70.06497	1.2
71.08543	14.2
71.95158	1.1
72.08883	0.8
72.95940	0.9
81.06973	0.6
88.07539	1.1
99.08002	3.6
102.09108	0.9
119.04904	0.6
121.02810	2.1
123.01190	0.7
128.98528	1.2
132.02113	0.7
141.02206	0.7
146.99631	3.2
147.04355	2.4
149.02310	44.3
150.00063	0.6
150.02647	11.4
155.03799	0.8
162.27657	0.5
163.33395	0.5
165.00713	0.8
167.03358	1.1
171.03139	0.6
173.04811	0.9
175.03938	3.7
180.04243	0.7
181.05376	0.6
183.03217	0.8
185.04840	1.2
187.02679	0.6
189.04305	0.6
189.07954	1.2
197.08459	0.6
199.06372	3.9
200.19933	1.0
201.04184	0.6
201.07936	1.0
203.05881	3.4
207.06960	1.0
207.09061	2.8
208.06223	0.6
211.06352	2.0
213.07881	0.6
215.05942	0.8
217.07407	11.4
219.06514	4.7
225.07918	2.9
229.07401	2.4
235.10124	0.7
237.07823	5.4
237.09924	0.7
239.09488	1.8
241.10974	0.6
243.09018	4.7
251.09402	0.7
253.10994	3.4
255.08960	20.9
256.09390	0.8
257.10474	2.2
271.12192	4.2
273.10013	24.2
274.10309	0.7
278.10480	0.7
299.11417	0.6
316.48083	0.6
323.18948	0.9
333.17227	22.3
351.18335	100.0
352.18640	4.9
369.19391	66.5
370.19757	3.9
374.20068	4.1
392.20856	3.0
392.25058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	1.2
56.96503	65.2
57.07010	11.8
60.37682	1.0
64.06827	0.8
65.03860	0.9
67.05425	1.1
71.08543	11.9
71.95177	4.2
72.08865	1.2
72.95947	2.3
74.97528	1.1
86.65254	1.0
86.80214	1.1
92.98577	1.2
93.06968	1.3
106.73576	1.0
121.02833	7.8
123.01159	1.5
128.98590	5.3
133.01649	1.1
134.99719	1.0
137.02730	1.7
141.02205	1.3
146.99641	9.4
147.52983	1.1
149.02318	100.0
150.02640	20.4
153.00676	1.2
155.03760	2.3
157.01741	1.4
165.00679	2.4
167.03380	7.4
169.05377	1.9
171.03285	4.6
179.31880	1.1
180.61656	1.1
185.04793	2.5
186.05878	1.1
187.02750	1.8
187.06342	1.6
189.04294	5.2
189.05968	1.2
189.07843	1.5
193.05353	1.2
197.04716	1.3
199.06393	7.0
201.08044	1.8
203.05869	8.6
207.08910	1.5
211.06418	4.3
213.07898	7.5
217.07442	25.9
221.06895	1.4
223.09996	1.2
225.07884	4.9
229.07455	8.0
231.08958	25.3
234.04662	1.0
237.07965	5.7
239.09511	5.7
241.11031	8.9
243.08955	6.6
245.10507	1.4
247.08350	8.7
251.09421	1.4
253.11087	1.6
255.08954	18.2
257.10538	4.7
259.12119	22.2
261.10065	1.9
267.08905	10.8
269.10498	34.3
273.10034	18.2
285.10019	22.2
287.11615	20.0
290.10321	1.2
303.11136	2.4
323.18649	1.3
333.17264	11.2
351.18347	48.5
369.19418	73.7
370.19553	1.4
374.19913	1.7
387.20334	6.2
391.24258	1.9
392.20703	4.3
392.24979	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	392.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92686	0.4
53.03876	2.5
55.01799	0.9
55.05448	2.7
56.47103	0.4
57.03371	3.9
57.06776	0.6
57.07019	12.1
61.02860	7.7
67.05429	6.8
69.03350	9.8
69.06991	6.8
71.04896	2.2
71.08539	2.6
78.00681	0.5
79.05409	52.1
81.03333	5.3
81.06988	8.5
83.04441	0.8
83.04903	16.5
85.02831	43.8
87.04374	0.9
91.03848	0.7
91.05400	7.2
93.06975	50.4
95.04906	4.3
95.08525	3.7
97.02824	10.5
97.06454	8.1
99.04392	1.1
104.37566	0.5
105.06971	3.2
107.04898	7.2
107.08540	18.8
109.02846	4.3
109.06459	0.9
111.08036	2.2
117.06969	2.6
119.08495	0.8
120.24686	0.6
121.02785	0.7
121.06442	3.7
121.10078	2.8
125.05951	20.7
127.03880	5.1
131.08574	2.3
133.10100	13.3
135.08084	1.8
135.11664	100.0
136.11977	2.4
139.07509	10.4
145.04935	4.0
149.02333	10.6
149.13237	10.5
150.02652	2.7
151.11131	0.9
153.09077	2.7
153.12717	6.3
159.11661	3.4
171.15573	0.6
177.12715	13.8
180.08606	1.1
195.13774	56.5
213.14925	0.6
221.43840	0.5
222.37636	0.6
230.17447	0.8
290.58188	0.5
340.83499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21998	0.3
52.63713	0.3
55.05444	1.9
57.07019	0.4
67.05427	6.9
69.06982	4.5
71.46081	0.3
74.31776	0.3
74.71664	0.4
76.71602	0.3
79.05405	7.4
79.70334	0.4
81.06974	6.9
83.08549	0.4
86.09628	100.0
87.06613	0.4
87.09966	0.4
91.05419	3.5
93.06985	6.8
95.04915	0.7
95.08546	4.8
105.06990	2.0
107.08537	3.4
109.10074	0.7
109.83896	0.3
117.06943	0.7
119.08507	0.4
121.10075	3.3
123.11681	0.5
131.08540	0.6
132.10175	24.3
133.10054	0.5
135.11688	1.6
145.10107	0.7
149.02339	2.9
149.33128	0.4
150.02646	1.4
159.11687	0.4
177.16331	0.4
188.60713	0.4
196.71983	0.4
220.73616	0.4
224.65436	0.4
261.22107	0.9
273.10110	0.4
317.63513	0.5
346.30978	1.6
392.31534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81669	2.6
55.05447	4.7
55.95140	1.9
57.03379	29.3
57.06742	2.8
57.07015	50.5
61.15418	1.9
61.48944	2.0
66.31071	1.9
67.05416	4.0
69.06985	3.7
70.58533	2.2
71.08550	31.5
72.08859	2.5
72.20451	2.4
73.87354	2.1
74.98711	2.2
81.06981	8.7
83.08546	4.9
84.08072	5.7
85.10107	13.2
89.05949	3.5
92.11005	2.9
95.08531	18.9
97.10100	3.9
97.56005	2.2
99.35838	2.2
101.05977	5.0
109.10136	4.6
149.02316	41.1
150.02679	18.5
154.17001	2.3
248.16245	2.5
283.26248	100.0
313.27408	25.9
333.10641	3.0
357.29849	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	393.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06993	0.2
68.04950	1.7
70.06480	0.8
72.08047	0.2
74.48191	0.1
81.03307	0.2
85.02802	0.4
88.03841	0.2
88.96188	0.1
96.06782	0.2
120.08031	0.4
124.05001	0.7
130.04942	0.7
140.03345	0.8
140.04416	0.2
145.02736	0.2
146.05869	0.2
147.06586	0.2
148.04961	0.2
149.02287	1.4
149.04524	1.0
150.02646	1.0
151.03787	0.2
166.07175	0.9
171.06587	0.2
172.06067	0.3
177.05420	0.4
183.06517	0.2
185.04297	0.2
185.08034	0.2
188.09354	0.2
189.06361	0.9
189.10013	0.3
201.06427	2.4
202.07193	2.7
203.07959	2.1
204.08771	6.2
212.09183	0.2
214.07227	0.4
215.07977	2.1
216.08759	100.0
217.09445	4.3
218.10310	7.0
223.03960	0.2
225.06393	13.4
226.07164	4.8
227.07942	1.6
228.08662	1.3
229.09581	1.3
230.10306	10.5
239.07640	0.2
239.78096	0.2
240.08737	61.9
241.09438	2.5
242.06497	0.2
242.10327	0.7
246.09798	7.4
255.07443	0.2
255.09857	0.7
256.08319	0.2
258.09848	2.1
268.08215	5.1
272.11334	3.9
283.09283	1.4
300.10837	33.5
301.11078	0.6
311.08762	0.7
315.11865	0.3
315.26895	0.2
330.79010	0.2
333.13062	1.2
343.11368	1.0
359.15372	0.2
361.12469	3.0
375.14081	2.9
393.15063	18.5
394.15167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2032
Annotation	Zoamide C
Peak:m/z	Relative Intensity
51.90950	2.8
53.03878	6.4
55.01805	5.1
55.05190	3.4
55.05453	93.2
57.03365	6.7
57.07005	14.9
61.43406	3.2
67.05428	96.9
69.03329	3.8
69.06983	37.4
71.04877	3.7
71.08534	15.1
71.58772	3.7
79.05405	83.9
81.03325	19.9
81.06972	89.1
83.04890	6.3
83.08537	42.1
85.06445	4.3
91.05398	71.8
93.06978	100.0
95.04881	16.9
95.08517	39.4
97.06469	4.6
97.10085	43.8
98.98400	7.1
105.06969	66.4
107.04907	4.0
107.08546	48.3
109.02821	4.8
109.06459	5.8
109.10086	8.9
117.06956	16.4
119.08512	22.7
121.02840	4.0
121.10098	17.1
125.09599	17.4
129.06960	8.5
133.10071	22.5
135.11638	13.8
143.08554	13.8
145.10086	4.8
147.11667	21.7
149.02322	54.7
149.13237	13.3
150.02632	27.6
151.02843	6.1
151.11206	4.6
153.09061	21.4
153.17838	3.2
157.10179	4.3
161.13199	20.8
171.11609	6.2
189.11169	14.4
199.14610	4.9
213.12756	4.8
241.19376	6.3
259.20572	17.2
277.21555	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81359	0.5
55.01820	0.6
55.05442	0.9
56.04965	0.8
56.96493	0.8
57.07010	0.6
67.05389	0.5
69.03345	2.2
70.06506	4.4
71.08530	0.5
72.08063	5.7
72.64878	0.4
81.06960	0.7
83.06022	0.6
84.04420	5.9
84.08065	3.3
85.02824	1.9
86.09618	3.9
89.03820	2.3
91.05363	0.6
97.02829	0.8
99.04361	0.5
101.07003	0.5
103.05387	0.5
105.06976	0.5
107.04876	0.5
109.02834	0.5
109.55033	0.4
110.07101	4.4
116.98577	0.8
117.03307	5.3
120.08070	4.4
121.69332	0.5
124.03850	0.4
124.05058	0.5
129.10188	0.7
130.04974	1.8
135.04382	0.8
137.05956	2.4
140.04703	0.4
145.02809	9.7
147.04384	0.8
149.02299	5.5
149.05894	1.1
150.02620	4.1
151.02904	0.5
155.11754	0.8
156.07654	0.5
163.03859	0.8
177.05438	10.6
214.14195	0.6
215.01076	0.6
216.08768	3.7
240.08713	1.5
264.70172	0.5
291.90729	0.5
300.10995	0.7
374.66492	0.4
393.20831	100.0
394.21329	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89358	0.7
57.07010	0.6
78.71203	0.7
87.48904	0.7
98.48602	0.7
99.33506	0.6
109.68880	0.8
113.17308	0.6
149.02348	0.7
150.02617	0.6
225.80832	0.6
235.88077	0.7
253.06947	0.7
274.93314	0.8
327.43863	0.7
367.07764	0.7
393.26013	100.0
394.26328	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	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26023	0.9
53.67018	0.7
54.95586	0.8
56.96497	1.0
87.97882	1.0
89.18047	0.9
93.14272	1.0
116.20647	1.0
152.31514	1.0
194.11594	3.6
223.27122	1.0
393.26025	100.0
394.26462	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	393.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75184	0.7
56.96488	4.2
61.97663	0.9
62.55387	0.8
105.07673	0.8
128.98553	1.7
146.99590	1.2
155.75655	0.9
187.40207	0.8
206.12997	0.9
231.09146	1.2
315.16321	4.0
333.17239	9.3
351.18454	2.1
393.26007	100.0
394.26328	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86419	2.6
52.91037	3.4
53.03889	5.7
55.01799	4.8
55.05448	21.5
56.71117	2.6
57.07008	20.6
67.05428	35.5
69.06998	30.1
71.08537	5.9
77.48065	3.1
79.05396	32.1
81.06988	49.9
83.08532	7.2
91.05392	50.6
93.06976	66.6
95.04886	45.9
95.08542	37.6
97.06455	4.5
98.98397	7.4
103.08633	51.3
105.06973	100.0
107.08544	30.2
107.65299	3.5
109.06456	14.6
109.10106	14.6
111.07957	3.8
115.05389	3.3
117.06960	25.6
119.08533	71.3
121.06470	20.1
121.10078	22.6
123.08007	3.7
128.06180	7.8
129.06978	12.8
130.07758	5.7
131.08540	30.0
133.10078	32.9
135.11667	7.3
142.07756	23.1
143.08542	22.7
144.09300	5.4
145.10123	36.0
147.11644	13.6
149.02341	15.7
150.02649	15.5
155.01006	6.9
155.08539	7.5
156.09299	6.0
157.10034	29.6
158.10741	3.5
159.11670	19.2
161.09566	6.1
161.13269	4.7
165.12698	23.3
169.10051	8.1
171.11665	14.0
173.13246	13.0
175.14786	5.5
181.10051	6.9
182.10907	3.9
183.11667	14.4
185.13248	4.4
193.10136	6.4
197.13216	5.2
209.13300	4.5
291.23083	21.6
320.25613	4.1
348.25278	13.9
360.97742	4.0
376.25861	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	393.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81939	0.7
56.96481	0.8
57.06740	1.4
57.07011	39.1
58.44756	0.6
64.88357	0.6
67.05408	1.0
72.87984	0.6
81.06955	0.9
125.07062	4.7
126.05476	5.3
140.52025	0.8
149.02309	3.7
150.02621	1.1
208.14307	1.3
209.12816	11.8
210.11183	1.0
218.12820	5.2
219.06477	1.0
219.11205	1.4
275.17453	10.8
292.20142	9.6
293.18576	5.9
302.18549	15.1
376.25842	100.0
377.26120	2.9
394.27051	7.2
405.41162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84891	2.1
53.47713	2.0
55.05442	11.6
55.92381	2.3
56.67150	2.1
57.07018	31.6
67.05415	14.4
69.06979	16.7
71.08537	23.8
79.05400	10.4
81.06961	20.3
83.08549	10.4
85.10078	3.4
89.05936	15.6
91.05389	17.2
93.06963	20.6
95.04897	13.9
95.08536	20.8
98.98373	3.3
103.08646	100.0
105.06979	27.5
107.08519	15.0
109.06491	24.1
109.10088	5.3
111.38927	2.6
113.23208	2.8
117.06948	3.1
119.08566	22.9
121.06420	5.0
121.10129	6.4
129.06934	4.8
131.08545	12.2
133.10117	13.1
143.08504	6.0
144.09238	3.0
145.10112	14.2
149.02298	6.4
155.01013	3.9
157.10110	13.4
159.11673	3.6
165.12724	36.1
171.11646	3.3
175.14780	3.0
185.13295	3.8
195.12148	11.6
246.19167	2.6
291.23145	46.0
320.25861	5.2
348.25281	25.2
376.26001	2.8
377.32404	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	393.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63007	2.3
51.67110	2.6
52.44415	2.4
52.46447	2.1
55.05454	26.2
57.07010	4.6
59.23817	2.4
67.05426	30.9
69.06985	26.8
69.59298	2.3
70.22130	2.4
77.31722	2.9
79.05383	5.7
81.06982	48.9
82.06477	5.1
83.04865	2.7
83.08534	18.5
91.05383	3.8
92.10235	5.0
93.06963	11.4
95.08533	33.6
97.10094	4.8
105.06984	10.2
105.24120	2.7
107.08510	13.9
109.06442	4.8
109.10089	18.3
111.08049	3.5
111.12827	2.5
119.08523	12.8
121.10067	11.5
123.11657	3.5
124.67279	3.7
133.10075	4.0
139.75468	2.5
147.04321	2.6
149.02292	16.7
149.13242	6.3
150.02628	11.5
161.13220	4.0
180.05946	2.8
231.21030	3.7
232.10898	5.6
238.25308	3.1
266.24734	100.0
283.48474	2.9
375.29913	37.2
393.26154	5.9
393.30975	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65305	0.6
51.67757	0.4
53.03877	0.8
54.07589	0.6
55.05191	1.0
55.05450	25.9
57.07007	3.5
59.56169	0.5
65.03838	0.7
67.05427	30.5
69.06987	29.4
71.08566	0.9
79.05410	8.0
81.06973	43.0
82.06513	7.2
83.04895	1.6
83.08534	18.4
84.08057	1.0
91.05386	5.0
91.62173	0.6
93.06970	13.3
95.04878	2.7
95.08530	39.2
97.06461	1.5
97.10094	4.3
105.06990	8.6
107.08530	10.5
109.06473	9.2
109.10100	18.7
109.61757	0.6
110.05996	2.8
111.04381	0.7
111.06329	0.6
111.11633	0.8
119.08524	8.4
121.10085	8.5
123.08022	3.5
123.11666	5.7
133.10121	5.8
135.11626	4.5
137.09560	0.7
137.13199	3.3
147.11620	7.0
149.13214	7.2
150.02681	0.7
151.14818	0.8
161.13226	7.1
163.14751	1.5
165.12749	1.2
171.06479	1.4
175.14825	3.4
179.14261	4.5
182.15382	1.2
189.16341	1.0
193.13313	0.9
196.16930	2.9
211.63513	0.6
231.21033	7.6
238.25288	4.0
248.23708	1.0
249.22096	6.7
266.24716	94.0
267.25003	1.6
283.27307	1.3
357.28903	3.1
375.29980	38.9
376.30414	0.9
393.31012	100.0
394.31412	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	394.1639
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
53.00229	1.3
56.96511	1.2
58.99271	1.5
58.99511	14.6
62.12543	1.3
64.88445	1.4
67.40185	1.5
69.03345	2.4
69.06987	35.1
70.06502	2.1
73.29411	1.4
76.02142	100.0
76.03916	1.6
84.04430	25.1
86.98995	2.7
91.16328	1.6
98.97528	2.0
101.68988	1.6
116.01639	28.4
127.05777	1.5
130.04941	7.0
134.45198	1.5
142.03204	8.8
144.01154	12.5
145.06770	7.3
150.02611	1.9
162.02167	38.4
173.67772	1.6
179.04855	37.8
189.07674	2.1
233.05873	8.6
245.06046	2.1
265.11987	11.1
274.93893	1.7
308.08997	6.9
319.13281	3.3
394.16245	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	394.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81934	1.1
56.96239	1.9
56.96496	36.5
63.66300	1.0
72.95963	2.4
78.27197	1.2
84.95903	1.3
111.91124	1.4
115.97805	1.3
118.87293	1.3
187.06395	1.8
205.07379	7.4
211.10114	1.3
223.08369	2.3
231.08940	2.5
239.09367	1.6
241.11041	33.6
257.10553	2.4
259.12097	100.0
282.13654	2.8
335.18439	3.4
353.19839	40.4
371.20935	53.0
389.21851	5.5
394.22125	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	394.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03394	0.2
54.13300	0.2
55.05443	0.3
55.43573	0.2
56.04963	0.8
57.07005	1.7
67.05423	0.4
68.04945	0.3
69.06990	0.4
71.08534	1.0
81.06961	0.3
82.05225	0.5
83.06023	7.9
83.08519	0.2
85.10108	0.3
93.04451	5.1
95.06014	5.0
95.08497	0.3
98.98377	0.8
110.07111	100.0
111.05548	0.2
111.07442	0.5
147.11180	0.2
149.75092	0.3
155.01045	0.3
155.53685	0.2
156.07654	26.8
176.31871	0.3
242.97711	0.2
323.88348	0.2
348.30060	1.3
376.29410	0.9
394.30551	17.5
395.30997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92140	1.9
55.05457	52.3
57.07022	9.3
67.05443	4.3
69.06996	42.3
70.06512	18.7
73.81232	2.3
79.05421	2.4
81.06997	3.9
82.06504	9.2
83.04912	12.7
83.08535	25.0
84.08075	5.1
86.09632	23.9
92.10244	6.7
98.09632	5.3
100.07558	24.5
100.11195	79.6
105.06989	2.6
111.04400	24.8
112.07552	25.5
116.80729	2.1
116.98627	2.6
119.08521	2.4
120.08016	3.0
126.09107	3.3
128.07089	11.9
134.09669	2.7
140.07098	2.8
140.50693	2.4
151.10846	2.5
168.13828	100.0
182.15379	66.7
182.16914	3.9
196.13318	44.1
199.18056	15.7
207.02765	2.3
210.14919	16.3
225.48935	2.3
241.44762	2.4
286.71222	2.5
295.23798	3.2
309.21756	21.6
347.10550	2.7
376.29535	9.7
394.25616	4.0
394.30560	67.4
394.35458	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	394.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74987	0.4
55.05441	3.2
57.06995	0.7
58.64207	0.4
59.06049	0.7
64.33259	0.5
67.05430	9.1
69.06986	3.4
70.36765	0.4
79.05410	2.7
81.06974	8.6
83.08544	0.7
86.09628	100.0
89.05956	1.0
91.05393	2.3
92.10225	0.9
93.06976	2.2
93.60612	0.5
95.08532	5.0
109.10101	2.0
114.36821	0.6
121.10052	0.9
123.11632	0.5
132.10164	29.6
142.92583	0.5
173.19450	0.5
348.32690	2.3
394.33261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	3.2
55.05421	4.1
56.96502	13.1
57.03362	3.6
69.03350	12.1
70.06490	14.0
72.08052	15.5
76.89925	2.8
79.05421	3.6
79.51001	2.9
81.03324	4.0
81.06966	16.8
84.04440	15.9
84.08064	13.2
85.02822	20.9
86.06018	5.7
86.09619	28.8
89.03810	7.3
91.05395	19.7
95.08546	4.0
97.02795	15.4
98.97510	5.9
105.06982	3.8
109.06474	7.3
114.72701	3.1
116.98565	13.3
117.03310	38.2
119.04912	12.8
120.08018	5.5
121.02811	4.9
125.06001	4.3
127.03908	3.5
128.65309	3.5
130.06494	5.9
133.10078	3.6
134.99602	7.3
137.05960	100.0
137.09494	3.9
138.06287	21.6
143.23532	3.5
145.02837	82.4
146.05986	4.0
147.04355	28.1
149.05937	14.1
160.80577	3.1
162.05489	6.0
175.03908	5.9
177.00682	6.7
177.05446	76.7
179.10614	24.7
180.10980	6.8
181.53171	3.4
197.11646	19.4
198.11948	5.3
207.06473	11.7
219.01532	3.4
237.02847	6.6
243.70728	3.4
279.03918	3.2
310.32001	3.4
311.73718	3.3
352.33554	3.1
359.41135	3.9
376.56937	3.5
394.21381	7.3
394.34564	4.3
395.09528	25.2
395.21564	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61435	1.1
55.01802	2.6
56.96489	3.0
57.03363	5.7
61.02841	1.6
69.03349	16.4
69.06953	1.2
70.06516	12.1
71.01262	1.8
71.04902	6.0
72.08078	12.0
73.02817	2.2
81.03330	8.1
83.04906	1.3
84.04420	16.1
84.08087	5.2
85.02816	2.3
86.05982	2.8
86.09618	7.4
88.03902	5.3
89.03838	13.0
89.07070	1.4
89.97748	1.2
91.05400	7.0
97.02802	2.6
97.03957	1.5
98.97488	1.8
99.04384	7.7
101.07097	1.4
107.04903	1.4
110.07119	11.7
112.08693	1.4
116.98610	2.2
117.03319	40.2
117.05531	1.8
118.06492	13.9
119.04898	1.4
120.08057	9.7
129.06682	1.3
130.04965	4.1
130.06497	4.8
132.08067	5.4
134.03583	2.1
135.04369	7.1
145.02826	92.1
145.07574	19.1
146.03137	2.0
147.04379	5.5
147.09148	8.1
149.05922	12.8
154.04938	2.7
159.09152	9.5
160.07573	1.4
161.02304	2.1
163.03874	5.0
170.05962	2.4
173.07063	66.9
175.08611	11.3
177.00784	1.4
177.05426	100.0
178.05751	5.5
183.07544	1.3
191.08105	77.7
201.08620	5.1
202.07060	5.2
215.08205	1.5
218.09178	5.1
219.07614	19.4
219.09753	6.5
230.09244	4.5
258.08597	1.6
274.03143	1.4
307.09216	2.0
307.12808	55.9
335.12317	7.1
378.12878	15.4
395.14368	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	0.7
55.05447	1.2
55.77628	0.6
56.47139	0.6
63.69046	0.6
65.03869	0.9
70.06490	0.9
72.08070	7.3
80.18801	0.6
83.08524	0.9
91.05408	13.5
92.10794	1.7
100.11186	3.6
107.04876	1.6
109.02802	0.7
119.04893	40.3
133.02815	3.3
147.04385	100.0
148.04736	0.9
154.12242	0.8
177.05499	0.8
178.04774	0.8
182.15381	1.2
187.03802	1.2
190.80125	0.8
204.04861	0.7
204.10201	1.7
207.08023	2.8
233.05896	1.4
235.07536	1.0
249.12224	5.0
279.06314	3.0
323.54141	0.8
378.13348	0.9
395.15808	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	395.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88648	1.4
59.62458	1.2
67.05436	2.1
72.08069	6.8
81.03329	2.3
83.72818	1.6
85.02825	2.1
91.05383	7.0
109.02811	2.5
111.87885	1.7
119.04879	10.7
131.08540	2.4
134.99644	2.0
145.02821	3.0
146.05969	32.8
147.04366	27.0
163.03850	8.9
175.03979	1.9
177.05444	2.2
204.10162	3.6
266.03510	2.1
339.93533	1.8
395.16644	100.0
396.17020	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	395.1964
Annotation	Brucine
Peak:m/z	Relative Intensity
57.12779	0.3
63.02302	0.5
68.39904	0.3
72.08059	4.4
89.03836	12.9
89.10699	0.5
101.06717	0.3
103.05401	7.1
106.04102	0.4
117.03328	42.9
118.03639	0.7
131.04892	35.9
132.05255	0.4
134.03622	2.8
135.04398	2.7
145.02823	100.0
146.03177	1.8
149.05954	16.8
177.05432	98.6
178.05829	1.7
186.05553	0.7
201.18718	0.4
202.12222	10.5
219.14885	20.1
245.12830	2.7
248.13120	0.4
315.91290	0.4
395.19592	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	395.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18603	0.2
52.04735	0.2
55.05446	0.4
55.67915	0.2
56.05152	0.2
63.66954	0.2
65.03867	0.2
67.05427	0.2
69.03366	0.2
69.06973	0.2
71.04881	0.2
79.05417	0.2
81.06982	0.4
84.08067	0.2
86.09631	5.5
91.05406	10.7
92.10368	0.3
92.64223	0.2
95.04880	0.3
95.08527	0.3
103.12276	3.2
105.06982	0.3
119.04894	29.9
120.05187	0.4
128.09088	0.2
135.08112	0.3
145.02837	0.5
145.59326	0.2
147.04387	100.0
148.04695	2.6
161.13202	0.4
177.05453	0.5
229.12244	0.3
232.13289	1.1
249.15909	18.6
250.16231	0.4
275.13831	0.6
295.75162	0.2
385.43954	0.3
395.19638	3.3
395.24146	0.4
396.19781	0.2
406.96680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	1.5
55.42442	1.5
56.96502	25.7
57.07016	3.0
65.64400	1.5
67.05424	5.7
71.08516	2.0
71.50377	1.5
71.95183	3.0
74.21583	1.7
74.97513	2.1
81.06966	3.5
82.16199	1.6
83.06011	6.7
83.97063	1.4
84.19067	1.5
95.08508	3.3
98.98378	5.8
110.07118	56.4
111.07436	3.8
124.87486	2.0
128.98531	7.2
130.99948	1.8
146.99640	16.3
155.03810	2.2
156.07593	14.5
161.01097	1.7
167.53287	1.5
192.63658	1.9
212.19339	1.6
224.40811	1.7
229.07402	1.6
236.31784	1.5
277.10712	3.1
317.17706	19.7
335.18878	100.0
336.19031	1.7
353.19962	41.7
354.20578	2.0
354.40918	1.6
355.50247	2.2
358.20538	6.5
376.21518	2.2
394.30478	7.2
395.31079	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96506	71.1
56.98718	3.7
59.53162	4.4
67.05428	6.1
73.47596	4.4
74.97552	4.8
75.28226	3.9
81.06983	10.1
87.95962	5.0
91.05387	4.3
96.57339	4.3
98.91860	6.4
115.08611	5.5
213.07924	5.3
231.08940	7.8
253.10977	10.9
257.10587	10.5
271.12070	11.4
323.18939	8.3
335.18875	38.0
353.19949	100.0
354.20026	6.3
371.21069	19.5
376.21725	7.4
395.27502	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75353	2.4
54.81935	2.7
55.05442	5.1
56.96486	3.5
59.06053	12.2
60.05556	3.1
64.20799	2.6
67.01797	4.0
67.05431	5.5
69.06992	4.9
72.37701	2.8
79.05420	7.2
79.61295	3.1
81.06971	7.5
83.04892	12.8
86.09611	27.6
89.03825	15.7
91.05401	12.2
93.06975	5.9
95.04907	4.4
95.08529	17.8
103.05409	6.5
105.06977	7.2
107.04894	13.5
107.08491	5.7
117.03329	43.1
117.06953	20.2
119.04887	7.2
119.08489	3.4
121.06470	4.7
123.08019	53.6
125.09592	7.2
129.07072	3.7
131.04874	51.7
131.08514	15.6
133.06432	22.4
134.09607	3.1
135.07994	7.4
143.08577	3.5
145.02821	100.0
145.06458	23.5
145.10139	17.4
147.04393	13.7
149.05991	23.0
149.09618	5.0
151.07533	34.3
159.08003	5.1
159.11661	14.2
161.05962	15.2
163.07570	4.6
168.09381	3.0
173.13237	12.8
175.11139	11.7
177.05423	94.7
177.12703	7.2
183.11662	3.8
187.11217	6.3
191.14211	3.8
201.08992	15.5
201.12711	57.5
202.12271	7.2
203.14389	4.6
217.20186	3.4
219.13745	22.7
219.15071	17.1
223.96301	3.1
229.12181	59.8
229.52003	3.8
235.58945	3.0
247.13269	27.0
314.21039	6.6
332.22104	6.5
360.21634	58.0
378.22668	42.7
383.87601	3.2
395.20010	6.8
396.27103	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	395.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99242	0.4
62.06030	0.4
83.23848	0.6
93.35303	0.6
157.46297	0.6
160.17889	0.6
184.93697	0.8
196.80066	0.6
395.27585	100.0
396.27805	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	395.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02053	0.8
50.54348	0.9
55.05456	12.1
57.07027	1.4
62.67657	0.7
62.73595	0.9
64.32236	0.7
67.05428	32.3
69.06985	11.8
70.02872	14.5
70.30018	0.9
74.02355	44.0
79.05406	9.0
81.06970	29.9
83.08541	4.6
87.05518	78.6
88.03917	100.0
90.05485	1.4
91.05416	6.6
92.10842	1.3
93.06978	9.8
95.04942	1.0
95.08530	25.3
95.09086	1.8
97.06411	1.0
97.10119	1.1
98.02345	1.7
99.00772	1.3
100.35704	0.9
105.06973	3.3
107.08531	3.9
109.10112	7.7
111.11687	1.1
116.03402	15.6
119.08505	2.3
121.10091	4.7
123.11707	1.1
124.89160	1.0
133.06058	77.4
133.10091	3.6
135.11685	1.6
137.13184	1.2
147.11687	1.5
161.13277	1.4
163.14795	1.0
164.95551	0.8
169.96230	1.0
174.38342	0.9
232.76570	1.0
245.22624	1.4
263.23642	4.7
315.23465	1.1
332.25928	2.1
350.26718	5.3
378.26208	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	395.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05435	19.6
57.07019	43.8
58.32454	3.7
58.66088	3.8
60.67671	3.9
65.59986	4.3
65.88979	3.8
67.05437	34.5
67.53283	3.6
69.06615	3.9
69.06970	40.0
70.35600	4.2
71.08525	23.0
73.55267	4.2
79.05396	19.3
81.06969	100.0
83.08536	20.9
85.10091	18.6
86.09608	5.2
89.05959	48.2
91.05405	33.3
93.06967	28.9
95.08536	55.3
97.10095	11.2
105.06985	49.7
107.08510	20.3
109.10094	31.7
117.06950	29.2
119.08508	23.3
121.10097	10.5
123.11657	9.4
129.06934	5.9
131.08508	29.8
133.10081	33.2
143.08472	7.7
145.10107	60.4
147.11653	28.1
157.10118	9.9
159.11668	44.9
163.14658	5.3
173.13228	7.3
195.12213	29.5
196.12526	7.9
242.76176	5.6
323.79987	5.3
395.36658	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	396.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	8.0
57.07020	4.7
61.27902	4.4
62.11737	4.6
63.29050	5.1
67.05418	14.2
69.06985	27.2
70.52531	5.2
73.12352	5.2
79.05402	12.6
81.03336	22.9
81.06983	11.6
86.09625	90.3
87.41872	5.0
91.05414	48.2
93.06956	28.8
95.04854	7.7
95.08503	33.0
99.65798	5.9
101.19630	5.1
105.03325	37.3
105.06956	13.8
107.04903	43.2
107.08511	22.4
117.03371	5.9
117.06956	53.1
119.08522	97.5
123.04379	8.2
123.08019	7.6
124.03846	6.2
129.06926	9.0
131.08522	52.6
133.06459	44.6
133.10081	7.8
141.06885	8.5
141.75723	5.7
142.07697	7.5
143.08539	22.4
145.02794	21.4
145.06462	32.5
145.10135	22.6
147.04440	8.4
150.05505	10.0
152.10672	11.3
153.06931	7.1
155.08530	13.1
157.10085	23.6
159.08020	30.5
159.11661	47.4
168.09297	52.8
169.10147	6.8
171.07906	6.0
173.05957	7.6
173.09697	10.8
173.13234	33.3
177.05435	27.9
180.10268	5.7
183.08017	24.1
183.11641	47.1
187.11168	12.1
193.10086	6.5
201.12715	69.8
208.13214	8.6
208.49939	6.2
211.11145	100.0
219.13722	12.4
229.12186	93.8
230.10141	6.5
241.15822	9.0
247.13275	36.3
269.15259	7.1
270.39389	5.5
296.20050	8.4
314.20941	25.8
360.21545	44.4
380.74765	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.9
64.75845	0.8
74.95230	0.9
75.59113	0.7
76.69678	0.9
79.55113	0.7
91.05409	1.1
92.10261	2.0
92.16803	0.8
107.08533	1.1
107.67352	0.8
138.14619	0.9
145.02866	3.2
177.05432	1.1
242.65759	0.8
251.55301	1.0
310.82486	1.0
396.27106	100.0
397.27362	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	396.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72527	1.2
57.47886	1.2
58.31977	1.5
59.60010	1.2
66.24757	1.5
67.08594	1.4
72.05917	1.5
73.70155	1.6
91.05396	1.9
107.04875	1.8
116.84290	1.6
117.03336	1.6
121.19174	1.4
122.17661	1.7
129.67694	1.7
179.36868	1.6
247.13107	1.9
293.84155	1.8
396.27142	100.0
397.27072	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58876	0.6
55.05452	10.1
57.07008	1.4
65.03860	0.8
67.05430	32.4
69.03328	1.2
69.06985	8.3
69.39870	0.7
69.98454	0.6
70.02851	1.3
71.04884	0.8
74.02352	71.6
79.05416	8.8
80.33048	0.7
80.94053	0.8
81.06976	33.2
83.04890	1.0
83.08532	4.8
88.03915	100.0
91.05412	6.7
93.06973	8.5
95.04883	0.9
95.08533	26.0
96.34391	0.7
97.06480	1.0
97.10112	0.9
105.06975	4.0
107.08534	8.4
109.10103	8.0
116.03400	27.3
119.08529	20.5
121.10109	3.9
123.11653	3.5
133.06508	1.0
133.10101	3.1
134.04453	81.4
135.08034	1.4
147.11653	1.4
157.89488	0.8
161.13194	1.2
163.14752	1.6
172.40668	0.8
175.14738	1.1
200.04718	0.8
201.60228	0.8
245.22589	3.4
263.23636	3.8
396.27655	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93568	2.8
55.05437	12.9
55.09910	2.6
57.07022	3.3
67.05427	7.3
69.06997	29.5
79.05402	16.1
81.06981	94.4
89.05936	8.3
91.05390	4.1
93.06964	27.5
95.08532	35.8
105.06988	6.0
107.08537	19.2
108.05713	4.9
109.06475	7.8
109.10098	23.7
114.39169	4.4
121.06480	15.9
121.10078	15.7
123.11611	4.1
135.11642	5.1
136.05196	15.8
137.05951	100.0
138.06718	5.2
149.05988	3.3
159.02364	3.1
161.09592	4.9
163.07478	3.6
175.07520	34.6
175.11470	3.5
176.66393	3.3
177.09082	49.1
177.16382	4.3
189.09131	17.0
190.89658	4.0
206.02020	3.4
210.95085	3.6
270.07138	3.9
396.29910	16.1
411.05151	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	396.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	17.1
56.96501	4.9
59.38691	4.4
60.17918	4.7
67.05432	45.7
67.30447	3.9
69.06991	10.9
69.40094	4.3
70.06517	56.6
74.02355	100.0
78.51227	3.9
79.05421	8.1
80.52481	3.9
81.06973	47.2
83.08557	7.0
88.07565	30.0
91.05423	10.8
93.06971	11.0
94.84361	4.5
95.08521	37.1
95.23795	4.2
99.04372	6.1
105.06932	5.5
107.08550	5.9
109.10089	6.6
111.23650	5.3
116.07056	59.4
119.08552	8.0
128.19261	4.6
134.08098	45.4
135.11661	6.3
161.13252	5.7
221.54105	4.5
225.26262	4.9
275.20142	5.2
378.30115	42.1
396.27945	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3468
Annotation	Semiplenamide E
Peak:m/z	Relative Intensity
55.05439	4.3
57.07008	0.7
63.94401	0.6
67.05422	4.5
69.06980	6.9
69.90865	0.7
79.05393	1.2
81.06976	4.5
83.08540	1.6
86.09626	100.0
88.58657	0.8
93.06960	1.2
95.08530	4.5
107.08589	0.7
109.10078	1.1
114.37552	0.7
128.33817	0.9
132.10165	27.5
159.06969	0.7
255.76006	0.8
396.34570	1.2
397.49564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02332	0.7
51.81096	0.6
52.35307	0.7
53.03883	6.8
54.81015	0.7
54.92568	0.7
55.01774	0.6
55.05439	4.2
56.96490	0.9
57.03363	3.9
61.02837	3.8
69.03344	17.9
69.76810	0.7
70.06502	5.6
71.04903	6.1
72.08064	1.5
73.02811	1.4
73.06462	10.6
81.03335	21.9
81.06985	0.8
83.22063	0.9
84.04381	1.4
84.08041	0.9
85.02825	82.6
90.05468	4.8
97.02822	22.2
98.97496	1.0
99.04379	57.7
101.05931	4.8
102.96783	0.9
103.03875	100.0
109.02142	1.4
109.02823	19.7
120.97801	0.9
127.03869	90.3
134.99635	0.9
141.10269	0.8
145.02931	1.5
145.04935	26.9
147.04393	1.7
163.05977	20.3
187.06020	3.7
199.09607	0.9
205.07091	1.6
234.13310	1.6
235.11621	0.9
235.13869	1.5
259.11636	5.1
271.08060	1.3
307.10269	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	4.7
55.01812	0.6
55.05445	3.2
56.96512	0.8
57.03376	4.1
61.02854	3.5
69.03345	14.6
70.06521	4.2
71.04918	5.3
73.02831	1.3
73.06472	8.3
81.03337	18.5
83.04919	1.1
84.04420	1.2
85.02824	72.3
87.04402	0.9
88.76180	0.5
91.05374	0.6
92.10316	1.2
97.02816	21.8
99.04382	58.3
101.05929	2.1
103.03873	100.0
109.02834	15.5
115.03854	0.6
116.98534	1.0
117.03307	0.8
127.03870	85.7
145.02797	1.0
145.04929	25.9
147.13469	0.6
162.05476	2.8
163.03889	0.7
163.05975	20.3
163.07237	0.8
177.05473	1.3
187.05975	1.1
199.09686	0.9
205.07095	1.0
218.82712	0.5
259.11703	2.7
271.08029	3.3
307.10211	3.3
307.79709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70956	0.7
53.03878	5.2
55.01814	1.7
55.05456	9.8
57.03354	4.1
61.02848	4.5
63.86590	0.8
63.99441	0.8
66.37795	0.9
67.05436	0.8
69.03354	21.6
70.06505	5.7
71.04912	7.1
72.08062	6.4
73.02822	2.2
73.06470	24.3
74.38519	0.8
78.90963	0.8
81.03338	26.9
82.26968	0.8
82.33177	0.9
84.04405	1.3
84.08064	1.5
85.02831	81.1
87.04406	1.3
89.03833	1.1
91.05411	1.2
97.02824	29.2
97.03445	1.1
99.04391	62.8
101.05952	6.4
101.65269	0.9
103.03880	100.0
109.02835	19.0
116.98550	1.2
117.03337	11.7
121.02840	1.6
127.03879	86.6
132.04434	6.2
145.02847	42.2
145.04921	27.1
147.04385	1.6
149.05934	4.6
150.09117	1.9
157.08557	1.2
162.05464	13.2
163.05957	18.5
169.08447	1.4
177.05446	42.7
178.08162	0.9
187.05960	2.0
210.04271	1.3
237.02898	1.2
259.11789	9.3
264.01816	1.5
271.08173	3.5
282.02750	3.7
307.10226	1.4
343.16602	7.6
397.19540	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	397.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81623	0.2
55.05462	0.5
59.22009	0.2
65.00107	0.3
65.03870	0.9
70.06517	0.2
71.65617	0.3
72.08073	13.3
79.05421	0.3
89.03835	4.5
89.10719	7.2
91.05410	9.4
98.05991	0.3
98.32982	0.3
100.11227	0.4
105.06999	0.4
107.04918	1.5
115.08640	1.0
117.03324	5.4
118.47711	0.3
119.04904	28.2
120.05240	0.5
135.04391	14.2
145.02834	9.2
147.04393	100.0
148.04723	2.9
163.03874	53.8
164.04146	0.5
177.05363	0.3
218.11748	6.5
234.11203	3.1
235.14366	25.0
236.14629	0.5
239.69183	0.3
251.11258	0.3
251.13847	7.5
253.09218	0.3
261.12390	0.4
397.17706	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	397.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	1.1
55.05450	2.1
66.61232	0.8
69.03355	1.4
70.06503	5.8
71.04895	1.0
72.08070	16.9
82.75459	0.9
84.04418	1.5
85.02813	5.6
90.84199	1.2
91.05340	1.0
92.10980	1.6
97.02814	1.0
98.05975	1.9
98.97506	1.1
105.06919	1.8
107.04898	4.2
110.07037	1.5
121.02831	3.7
124.03870	2.2
131.04875	7.8
133.02834	1.0
133.06474	14.0
145.02788	1.4
145.06418	3.9
146.05954	6.4
147.04369	1.7
151.03857	2.0
153.06985	2.3
159.04373	5.1
160.07555	2.3
161.05949	2.1
171.04341	1.8
171.08006	1.7
177.05528	1.3
178.86156	1.0
181.06393	8.4
182.08133	1.6
184.53395	1.1
187.03860	3.6
188.07004	8.0
189.05399	3.9
199.07501	100.0
200.07869	4.6
215.03337	8.3
216.06505	8.0
237.02942	0.9
258.11230	6.7
263.06995	2.0
286.10635	3.8
303.13318	3.6
379.16748	3.0
397.17438	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	0.2
56.59070	0.1
57.03373	0.2
63.32010	0.1
69.03370	0.1
70.62125	0.1
71.46947	0.1
73.02807	0.2
85.02827	0.2
92.02478	0.1
94.03965	0.2
97.02823	0.2
108.10053	0.1
112.21071	0.1
119.03513	0.4
120.08057	0.1
136.06161	100.0
137.04533	0.5
137.06644	0.7
227.06813	0.1
268.10345	14.4
269.10745	0.5
277.92273	0.1
406.04990	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	397.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77698	0.7
56.96498	1.3
63.29827	0.8
64.33170	0.8
64.91009	0.8
69.03351	1.1
74.69440	0.9
85.02828	0.9
86.29029	0.8
91.05397	1.5
109.02821	0.9
116.98533	1.1
117.03338	1.4
119.04846	1.1
145.02852	4.4
146.05980	1.0
147.04352	2.0
162.05511	1.4
177.05446	4.3
250.25169	0.9
258.46432	1.0
282.02893	1.2
397.18253	100.0
398.18689	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	397.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99502	0.4
53.03878	1.1
55.01796	0.8
55.05445	1.1
56.81630	0.5
56.96503	1.0
57.03383	0.5
60.89144	0.5
61.01374	0.4
61.02858	0.8
65.03869	0.4
69.03347	5.2
70.06493	3.8
71.04901	0.8
72.08072	11.2
73.02841	0.5
73.06468	4.7
76.67781	0.4
81.03343	5.9
83.04903	0.5
84.04424	2.0
84.08071	2.4
84.95945	0.7
85.02831	15.9
86.09635	0.8
87.00771	0.5
87.11037	0.5
89.03837	6.4
91.05413	1.1
96.04408	0.5
96.65222	0.6
97.02821	17.1
98.97516	1.9
99.04387	11.2
103.03883	19.7
107.33118	0.5
109.02837	5.5
116.98592	2.3
117.03323	29.1
119.04875	0.9
121.02820	8.6
127.03880	14.4
130.06514	2.2
132.04449	3.4
132.08104	0.7
134.03615	1.2
134.99664	1.0
135.04388	2.8
139.76746	0.5
145.02827	92.0
145.04909	3.6
146.03201	0.6
146.99669	0.6
147.04355	1.2
147.17889	0.6
149.05946	10.6
150.09113	10.0
151.03793	0.6
161.01256	0.8
162.05469	1.9
163.03908	2.8
163.06020	3.1
165.07892	0.6
167.11786	4.9
168.10172	0.9
177.05435	100.0
189.00679	0.6
193.09618	0.7
217.04985	0.9
219.01649	1.2
231.01784	0.9
237.02805	2.8
248.12845	3.8
250.03825	0.6
259.11719	1.0
265.15384	2.8
281.28439	0.5
282.02802	1.1
343.16464	25.4
357.04788	0.9
397.19662	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	2.0
54.81779	1.7
55.01806	8.9
55.05457	22.6
57.07006	2.4
59.20063	1.8
60.19492	2.0
65.03848	2.9
67.05091	2.5
67.05431	81.3
69.06992	21.1
71.04910	84.4
79.05413	56.4
81.06514	4.2
81.06979	100.0
82.33524	2.1
83.04919	2.4
83.08535	9.6
85.06463	11.2
86.09615	3.2
90.15804	2.0
91.05401	25.6
93.06974	64.0
95.04904	3.8
95.08540	57.9
97.06457	32.4
98.22233	2.1
100.11224	2.0
105.06967	16.7
107.08547	34.9
109.10106	25.9
111.08018	5.4
119.04868	5.3
119.08520	11.8
120.05269	2.7
121.10097	51.3
129.72334	2.2
133.10130	9.9
135.11667	32.9
147.04413	19.4
147.11655	4.3
148.04697	13.9
149.04933	2.2
149.13264	10.9
163.14771	2.9
177.05521	3.6
214.86575	2.3
243.54451	2.3
263.23642	19.3
271.07864	2.3
275.93051	2.1
281.24677	45.7
299.25684	3.6
299.75354	2.1
317.26749	3.4
413.34570	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31120	0.7
55.05450	13.3
57.03377	0.8
57.07010	4.8
58.40494	0.7
65.20714	0.7
67.05119	0.8
67.05431	11.5
69.06992	17.4
70.02876	10.9
71.08541	3.1
74.02354	32.2
79.05414	7.2
81.06972	13.4
83.04872	0.8
83.08524	9.2
85.10076	0.9
87.05519	64.6
88.03917	100.0
90.20785	0.7
91.05414	1.2
93.06989	7.1
95.08542	10.0
96.08815	0.9
97.10081	6.8
98.02363	1.3
99.00743	3.3
103.93391	0.8
107.08524	3.5
109.10110	5.3
111.08035	1.4
111.11681	1.2
116.03412	12.1
121.10078	8.0
123.11636	1.1
133.06052	56.3
133.10040	0.7
135.11667	3.9
162.47322	0.9
202.55899	0.7
215.21648	0.8
265.25189	3.3
289.20233	0.8
334.27414	1.1
352.28363	7.5
352.74554	1.0
380.27859	13.0
396.34555	6.7
397.30487	1.9
397.34662	8.0
415.94943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	2.0
61.57038	0.6
61.96067	0.7
62.29493	0.8
67.05425	9.9
69.03336	4.5
69.06976	3.5
73.70837	0.6
79.05399	2.0
80.42097	0.7
80.53754	1.0
81.06985	8.9
86.05988	100.0
87.04395	20.4
91.05425	1.1
93.06949	3.7
95.08521	5.2
97.59398	0.8
102.01045	0.8
104.07042	16.0
105.06993	1.2
109.10097	2.0
112.35446	0.9
115.32488	0.8
170.25166	0.7
176.39629	0.9
176.74213	0.8
186.96951	0.9
204.97728	0.8
353.99252	0.9
366.29932	16.1
397.34650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	0.4
57.07005	2.1
67.05433	0.5
69.06981	2.3
71.08550	0.8
73.05018	0.5
86.09629	100.0
92.10286	0.6
108.16295	0.5
157.55974	0.5
186.99988	0.5
222.30345	0.5
284.29449	0.6
317.41986	0.5
324.32651	2.9
352.32117	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96429	0.7
57.07011	1.9
64.04722	0.7
69.06648	1.0
69.06987	13.2
81.06976	0.8
83.17232	0.8
86.09630	100.0
207.54526	0.8
307.62589	0.8
324.32513	7.0
352.31952	1.9
355.45853	1.0
370.88876	0.9
411.10800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2662
Annotation	phytosphingosine-1-P
Peak:m/z	Relative Intensity
55.05442	7.5
56.04965	1.9
57.07007	3.3
60.04455	100.0
60.04765	3.2
66.48822	1.1
67.05435	2.7
68.86435	1.3
69.06990	6.4
74.05979	9.2
79.57729	1.2
81.06965	6.7
83.08516	2.1
93.06962	1.6
95.08537	5.3
95.24318	1.2
109.10104	1.7
111.65734	1.4
120.08863	1.6
140.00975	1.9
146.54163	1.3
235.97733	1.3
264.26724	3.1
282.27841	2.8
288.29553	1.6
300.28885	34.5
398.26862	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	398.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10590	0.4
53.03889	0.6
55.01805	1.0
55.05449	3.9
56.96500	1.2
57.06990	0.6
58.06521	0.8
60.00443	0.5
67.05432	5.7
68.04943	2.6
69.03349	26.6
69.06991	7.7
73.02835	0.5
79.05403	4.8
81.03340	1.1
81.06979	4.7
81.65376	0.4
83.04912	0.9
83.08535	0.6
85.06432	0.5
86.05988	100.0
87.04395	35.4
87.06246	0.4
91.05399	3.0
92.64393	0.5
93.06977	6.7
95.04894	1.2
95.08543	6.3
97.06488	0.9
97.10111	0.6
99.04395	0.6
100.30545	0.5
102.09113	2.0
104.07040	24.0
105.06945	1.8
107.08542	2.7
109.10100	2.6
111.11676	0.6
119.08534	2.5
121.10104	3.1
123.11662	0.6
131.08557	0.7
137.09579	2.1
139.11182	0.6
151.11183	2.4
184.88992	0.5
265.13217	0.8
277.21637	5.7
295.22678	6.0
349.35770	0.5
378.11746	0.5
398.28650	19.3
398.32858	3.0
399.29306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50147	2.4
52.11613	2.3
53.48015	2.6
55.05460	29.7
56.96489	3.1
57.07006	3.3
57.51943	2.7
61.90602	3.3
67.05436	26.2
69.03351	5.3
69.06980	16.5
79.05407	18.1
81.03334	7.0
81.06979	32.1
81.68395	2.7
83.04900	3.7
83.08556	6.6
86.05982	19.6
86.52975	3.4
87.04395	30.9
90.18911	2.9
91.05410	14.2
91.66270	2.7
93.06971	5.8
94.06516	2.9
95.04906	6.1
95.08555	13.0
96.55544	2.8
97.10098	11.3
104.07033	6.3
105.06992	5.6
107.08548	17.8
109.10081	11.7
116.98560	4.1
119.08572	3.4
121.10202	3.1
125.09624	4.6
136.07550	5.9
142.30446	2.7
148.07535	4.7
151.11115	5.0
180.10274	3.5
203.20320	3.0
232.17094	3.6
277.21567	4.2
292.98749	3.3
295.22852	4.4
380.27838	20.4
398.28879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23760	1.4
55.01810	1.9
55.05461	13.7
56.04955	1.6
67.05431	18.0
69.03358	1.9
69.06979	10.0
69.67971	1.4
70.06502	12.9
72.04401	1.9
79.05389	12.6
81.06987	13.9
83.08533	3.8
86.06000	20.2
87.04392	42.7
91.05396	7.2
93.06960	9.6
95.04905	3.1
95.08524	10.4
96.08096	1.7
97.10082	2.2
98.05988	33.3
105.06992	3.8
107.08514	2.9
109.10104	3.8
111.29208	1.6
116.07034	2.6
119.08549	8.3
124.07549	2.4
125.09563	2.7
133.10136	1.7
134.99629	2.9
137.09631	3.4
140.07037	10.3
140.14279	1.7
142.08636	3.7
147.08057	1.8
149.09644	2.2
158.08044	12.8
170.11755	3.3
182.15315	3.5
195.13651	2.0
196.59946	1.8
203.65872	1.8
276.23425	1.9
294.24222	3.5
325.43594	1.7
362.26767	2.4
380.27826	10.3
398.28937	100.0
399.29117	2.0
407.68259	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.29
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28597	0.4
55.01829	0.9
55.05456	4.6
57.01910	0.4
58.06537	0.6
67.05430	6.4
68.04946	2.7
69.03349	30.0
69.06992	7.1
71.04914	0.6
71.08540	0.8
73.02827	0.6
79.05423	4.6
81.03323	1.0
81.06976	6.0
83.04901	0.6
86.05991	100.0
87.04391	31.1
91.05402	2.5
93.06975	6.5
95.04913	1.0
95.08536	4.8
97.06438	0.7
97.10092	0.6
102.09116	2.2
104.07045	21.4
105.06998	0.9
107.08538	2.9
109.10132	1.1
119.08549	1.1
121.10107	4.1
126.92605	0.5
133.10129	0.6
135.11620	0.8
137.09618	2.5
139.11143	1.2
151.11134	0.9
211.60034	0.6
216.77345	0.6
277.21600	6.3
295.22607	7.6
326.48010	0.6
359.73260	0.5
398.28674	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	1.9
57.07016	0.7
60.20198	0.4
65.03867	0.8
67.05436	1.9
69.06985	1.1
71.08540	2.6
72.08067	6.4
73.08401	0.9
75.65327	0.5
79.05392	0.7
81.06971	2.9
85.46360	0.4
91.05411	100.0
92.05733	2.1
93.06989	2.5
95.04926	0.5
95.08535	2.9
97.06483	0.9
99.08044	0.8
105.06983	0.5
107.08533	0.7
108.08073	10.8
109.06512	2.0
109.10132	0.7
118.08567	1.1
119.08572	0.8
121.10093	0.6
149.02385	0.6
165.12762	3.1
189.55261	0.5
267.88126	0.5
291.23083	3.5
300.23148	0.7
381.27673	0.8
391.10440	0.5
398.30402	14.5
399.30951	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	399.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97727	0.5
53.80884	0.5
55.05461	0.7
56.96498	1.1
57.07011	0.5
69.03362	1.4
70.06490	1.1
81.03323	2.9
84.04390	0.7
84.08060	1.0
85.02824	2.8
86.09631	1.1
91.05407	10.3
97.05408	0.6
100.11193	0.9
101.05930	0.8
107.04908	0.6
108.14912	0.5
108.68757	0.5
109.02817	0.8
110.07103	0.8
119.04890	29.6
119.05752	1.1
120.05228	0.6
145.02882	0.9
147.04384	100.0
148.04716	2.6
153.15503	0.5
154.21370	0.5
165.05417	1.1
177.05444	1.1
207.59441	0.6
296.34653	0.7
309.09570	3.4
341.69934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59735	0.2
55.01809	0.4
56.04982	0.2
56.96505	0.2
57.03362	1.2
61.02841	1.2
65.02866	0.2
69.03355	1.9
70.06491	1.0
71.04911	0.3
73.02834	6.3
74.02349	0.6
84.04433	4.1
85.02822	1.5
87.04386	0.6
88.03909	0.6
94.04000	0.3
97.02815	0.6
99.04366	0.4
102.05479	1.0
103.03870	0.6
104.05357	0.3
104.07039	0.5
107.04890	0.4
115.03880	0.4
116.98583	0.3
119.03529	1.0
123.82818	0.2
127.66344	0.3
130.04970	1.2
133.04895	0.3
134.04466	0.3
136.06166	100.0
137.04581	1.2
137.06511	1.3
148.04266	0.3
148.06102	1.9
152.05637	1.0
153.04039	1.0
178.07330	0.4
237.02657	0.3
268.10355	4.2
305.33170	0.3
400.14545	7.1
400.19675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05219	0.6
55.05453	10.2
56.04972	1.8
57.07008	5.7
58.06535	0.7
63.47886	0.4
67.05417	0.5
69.06992	7.5
70.06141	0.6
70.06509	13.5
71.08532	0.8
72.04430	67.7
72.08049	0.6
72.99784	2.2
73.10651	0.4
81.06960	0.5
83.08537	3.1
88.02139	100.0
88.07552	22.3
95.08535	0.7
97.10120	0.7
102.09114	9.7
105.06961	0.6
107.04894	0.5
119.08524	0.7
120.19876	0.6
128.80672	0.5
132.10139	0.7
163.11118	3.3
170.35741	0.5
175.37273	0.5
179.08861	3.1
182.06328	2.6
222.13033	2.2
238.12564	4.6
250.12570	4.8
338.34097	24.9
344.16739	7.0
382.36639	2.3
399.30811	11.6
400.23151	8.6
400.31204	10.7
400.37762	50.0
401.26459	0.5
403.27979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02074	0.8
54.58953	0.8
55.05455	8.1
57.06999	5.3
58.68319	0.9
67.05398	1.0
69.06997	7.8
70.06509	13.7
71.08527	2.1
72.16466	0.9
83.08532	2.3
84.08043	1.2
88.07550	12.3
91.05409	1.1
93.06964	1.0
95.08532	1.5
97.10091	1.5
105.06994	1.8
106.08627	1.7
109.10077	1.3
113.25192	0.9
114.09142	1.3
118.08560	1.1
119.08532	12.5
121.05644	1.8
121.06458	26.9
131.08543	1.0
132.10173	11.0
133.10118	4.0
135.07994	4.7
137.09583	14.9
149.09633	1.6
149.13257	3.9
150.11235	9.6
161.09538	8.6
163.07513	15.8
171.13828	1.2
177.12708	100.0
178.12985	1.1
186.10332	1.2
203.10620	2.1
219.13765	39.2
228.08760	1.0
236.23557	1.0
271.13254	4.4
356.35065	5.3
370.34222	1.0
400.37820	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1225
Annotation	Piscerythrol
Peak:m/z	Relative Intensity
50.23874	0.9
53.58832	1.0
54.97306	1.0
60.50873	1.1
61.20152	1.1
68.15405	1.0
76.55952	1.0
78.42000	1.0
79.05392	1.9
83.54407	1.1
85.19231	1.0
89.03828	8.2
91.05391	18.0
102.18240	1.4
107.04881	6.9
109.06487	1.2
112.24583	1.2
117.03314	11.1
119.04890	42.5
135.04369	26.8
145.02821	20.2
147.04379	100.0
163.03853	68.8
163.05220	1.3
167.06934	5.3
177.05486	2.4
198.04236	1.3
217.08594	1.6
219.07944	1.6
221.08051	2.7
237.07458	5.7
247.07407	1.3
249.09335	1.2
269.08020	1.4
275.07095	1.2
277.27902	1.3
291.10089	1.4
315.08414	5.1
330.10492	1.8
383.10629	2.0
383.14841	1.8
404.47794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00518	0.3
63.70134	0.4
65.16372	0.3
65.88340	0.3
69.03346	0.6
70.06509	1.7
72.08079	0.4
76.02135	0.5
77.66830	0.3
84.04433	1.8
84.08060	0.8
85.02835	1.8
97.02840	1.4
102.95000	0.4
120.08066	6.1
123.71162	0.3
127.03860	0.5
130.06496	82.6
131.06822	1.6
132.04417	13.2
144.08107	1.4
146.05943	1.2
148.07555	32.8
151.03879	0.6
158.05983	33.2
162.05469	0.9
176.07033	100.0
177.05466	0.5
177.07448	1.9
204.06564	2.1
222.07581	50.2
223.07957	1.3
380.00070	0.4
401.14810	0.5
415.20453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03370	3.0
79.05410	30.8
81.06976	4.6
84.73554	3.4
91.05399	8.1
95.04889	16.2
105.06926	3.8
107.04890	55.2
108.86963	3.3
111.85241	3.9
115.05408	6.7
117.03336	3.6
121.06483	4.0
123.04389	4.0
124.05104	6.1
125.05972	5.3
129.06992	7.9
131.08516	7.9
141.06902	3.9
144.05678	7.8
145.06479	4.5
147.04396	5.2
148.68558	3.2
156.05692	25.8
157.06505	4.9
158.07213	4.8
159.07996	19.7
167.07001	100.0
175.07516	4.2
177.05518	5.2
182.07193	3.8
183.62444	3.2
187.07547	13.9
190.06131	6.4
190.07687	6.4
191.08495	6.1
195.06500	3.8
201.73244	3.2
205.08551	23.3
207.06468	5.4
208.08720	4.7
210.06721	8.2
213.05530	4.2
217.08485	24.2
219.08096	24.9
221.05960	8.3
231.07919	8.5
233.99193	3.4
235.07590	3.6
236.08258	5.5
237.09001	4.8
238.06100	3.7
247.07448	22.0
248.08255	14.9
255.06435	4.2
261.05515	3.3
262.09991	5.1
263.10651	7.4
264.07745	6.8
265.08405	3.9
271.09561	16.8
275.06961	5.8
276.07764	7.7
277.08710	3.6
281.08014	4.8
284.06808	5.9
291.10071	16.0
292.07312	5.5
293.07974	13.9
299.09113	7.1
301.06989	7.2
307.09457	6.9
315.08527	14.0
321.07449	6.2
322.08405	4.0
323.12964	4.5
331.11740	13.5
337.10541	5.4
339.12442	4.7
351.12103	18.4
353.09927	8.5
368.12613	4.4
376.96002	4.2
383.14761	44.1
401.15872	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	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54728	6.7
65.22108	5.6
69.09529	5.9
70.06498	27.5
72.08070	7.0
79.05392	11.5
81.03330	10.8
85.02807	9.8
86.09613	13.2
91.05402	12.8
92.10161	13.1
95.04894	7.9
95.08524	8.5
106.54388	6.8
107.04886	39.1
115.05391	7.6
119.08536	8.9
128.02028	6.9
129.06960	7.3
131.08549	13.8
134.99661	9.8
138.09767	6.4
144.05661	7.3
146.05965	13.7
147.04414	15.4
156.05640	12.5
159.08035	10.4
167.07008	63.3
207.06519	10.9
208.05161	32.1
217.08566	29.6
219.07910	25.0
234.06680	6.1
235.07474	7.1
236.04646	12.2
239.07146	7.2
247.07524	14.7
248.08115	9.9
254.05707	12.1
256.04633	6.7
263.45883	6.0
264.07660	12.2
265.08624	9.9
267.06409	7.2
269.07904	46.6
273.73581	6.7
275.06808	13.3
276.07651	13.5
282.05298	8.6
282.08707	14.7
291.10025	13.8
293.07870	13.7
307.09848	10.9
315.08539	100.0
330.10934	78.6
339.12384	9.8
343.11703	14.0
351.12067	11.8
368.12808	8.4
375.10324	7.8
383.14923	73.7
401.16089	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	401.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19642	2.2
55.05445	6.1
56.96244	3.6
56.96507	62.8
57.07011	16.7
64.63766	2.3
69.06990	6.2
70.06501	11.8
71.08557	4.9
71.95179	3.6
74.97561	2.7
81.06985	5.5
82.97115	2.3
83.08547	5.8
83.97417	2.4
88.07555	16.3
93.06987	3.5
95.08537	10.0
97.02798	3.7
99.04395	2.9
102.09114	9.5
110.99633	2.7
111.13287	2.8
113.24265	2.3
116.98584	3.4
119.08571	3.1
131.00165	2.7
132.10127	3.9
134.99664	4.0
149.01242	4.1
167.02298	2.8
285.17307	27.0
303.18396	100.0
338.33954	4.4
339.34457	3.9
397.08951	2.6
400.31326	5.3
400.37711	26.9
401.21848	13.0
401.26575	5.5
401.37891	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.8
55.01807	5.2
55.05452	12.6
57.07014	100.0
59.08285	1.0
67.05427	26.2
69.03362	9.5
69.06995	13.1
69.88273	1.0
71.01263	1.3
71.04910	2.4
71.08550	69.9
73.02837	1.3
79.05421	1.4
81.03340	9.5
81.06510	1.8
81.06977	31.4
83.08542	21.8
85.02820	2.5
85.10107	28.4
95.08535	50.0
96.47864	1.0
97.02824	75.6
97.10086	7.2
99.04385	13.6
99.11679	1.5
109.02809	7.4
109.10117	14.5
110.66557	1.0
111.11707	1.9
118.35509	1.1
119.01850	1.0
123.11642	5.7
127.03892	15.2
137.13231	2.4
145.04942	1.5
151.14903	1.0
161.06567	1.1
165.16319	1.2
239.23647	52.2
267.03314	1.9
335.25851	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	402.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02316	0.6
53.03885	3.5
55.01810	0.8
55.05450	0.3
56.80082	0.3
57.03367	2.9
57.08367	0.3
61.02865	0.3
69.03347	12.6
70.06504	3.2
70.61201	0.4
71.04519	0.3
71.04902	2.3
72.08075	4.8
73.02831	2.4
78.03368	13.9
80.04511	0.4
80.04916	2.7
81.03337	23.1
84.04436	1.3
84.08078	0.6
85.02824	11.0
86.09615	2.9
87.04411	0.6
89.05954	1.8
91.05399	0.6
96.04414	8.3
97.02816	5.5
98.97505	0.6
99.04408	2.8
103.03878	2.1
105.03350	0.5
106.02858	74.8
109.02832	9.3
110.07105	0.7
113.85014	0.4
116.07027	0.4
116.98573	0.5
124.03912	100.0
125.04276	1.3
127.03870	4.9
129.10204	0.6
133.02808	3.3
134.99655	0.7
135.04402	0.6
145.02814	0.8
145.04982	0.6
147.04404	1.5
151.03865	0.4
162.05421	0.3
163.03839	0.6
165.66887	0.3
166.04947	1.3
177.00706	0.4
177.05438	0.8
179.03377	0.6
183.11685	0.5
207.06516	0.7
232.06007	2.1
250.07047	14.1
253.07048	0.5
268.08099	30.8
269.08325	0.9
291.36356	0.4
402.13800	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	402.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.7
55.01804	1.9
55.05462	0.8
56.91147	0.7
57.03377	7.8
57.15517	0.8
61.02851	10.7
69.03353	22.2
70.06514	2.1
71.01263	1.1
71.04913	1.9
73.02821	9.1
73.06463	2.0
74.69749	1.0
81.03334	7.5
83.04916	0.9
84.04420	1.7
84.08065	1.2
85.02829	100.0
87.04382	4.2
91.03878	4.9
97.02827	27.0
98.97502	1.8
99.04384	5.5
101.02315	1.2
101.06012	1.1
109.02829	11.2
115.03855	1.9
116.98568	1.9
119.17848	0.8
127.03875	21.3
133.04884	1.2
136.06145	1.5
137.06441	2.1
140.98096	0.9
145.02890	1.3
145.04944	29.3
154.08617	1.0
162.05444	1.4
163.05949	11.3
169.08495	1.2
177.05406	1.6
180.36134	0.9
223.11748	2.1
245.09918	5.7
336.95444	1.1
408.84427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	16.1
57.03368	49.3
67.05428	57.6
69.03320	7.8
69.06974	28.4
79.05405	63.4
80.65928	8.7
81.06973	48.2
87.67342	6.7
91.05399	100.0
93.06982	87.9
95.08517	38.9
97.06477	11.3
105.06976	88.1
107.08553	55.8
108.63382	6.4
113.35657	8.6
117.03290	10.2
117.06966	39.2
119.08540	48.7
121.10056	13.4
125.09573	8.4
129.06949	16.7
131.08548	39.9
133.10107	35.8
135.08092	6.9
135.11681	7.4
143.08528	32.0
145.10081	53.8
147.04381	10.5
147.11668	11.9
149.09654	13.0
157.10135	32.3
159.11682	37.9
173.13235	9.2
183.11652	9.2
185.13193	32.3
203.14380	13.6
225.12402	7.6
239.17998	7.8
253.22780	6.8
257.18954	34.9
268.03284	7.9
275.20044	38.9
292.21915	7.0
349.23627	49.2
367.24469	8.6
390.60327	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	402.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72713	9.1
51.55380	8.3
55.05444	14.3
55.79731	8.2
57.07006	25.4
57.18359	9.0
59.64234	11.2
64.32919	11.1
67.05421	44.3
69.03355	13.3
69.06992	18.3
71.08559	21.6
79.05421	13.7
79.90086	9.5
81.03323	18.5
81.06973	40.3
81.32259	10.2
83.08549	17.8
84.04436	10.0
93.06924	11.9
95.08530	53.2
97.02788	16.9
100.37308	10.2
107.08598	10.6
109.10073	14.9
117.55795	11.3
119.52373	10.4
126.51054	9.8
127.03900	11.5
133.06464	100.0
134.56282	9.9
144.25786	10.5
145.04971	10.1
152.47726	11.5
202.35031	11.1
279.23245	17.6
290.65839	10.4
353.26639	10.9
402.29181	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33297	2.5
54.07589	2.9
54.08086	2.3
55.01793	4.3
55.05441	19.8
56.96492	3.6
57.03377	2.7
57.03785	2.6
64.51205	2.9
65.39534	2.9
67.05415	15.9
69.06995	5.2
74.26134	3.3
76.82195	2.9
79.05389	15.2
81.03340	25.6
81.06962	19.4
83.04898	4.4
83.08495	3.8
85.02818	15.1
90.05486	40.9
91.05393	22.6
93.06956	15.0
95.04893	16.1
95.08530	14.2
97.06455	5.1
97.10085	4.9
103.05421	7.9
105.06969	14.6
107.04862	6.8
107.08563	6.0
109.06458	4.5
109.10039	3.7
111.04473	4.4
112.00178	3.8
113.21111	4.0
115.05402	49.4
116.98618	3.9
117.06978	49.5
119.08533	4.7
121.10084	6.5
121.38190	3.5
123.04371	13.9
124.05200	6.5
130.06490	17.0
131.04909	4.4
135.96506	3.3
137.05975	31.3
143.04927	6.1
144.05664	7.4
145.06476	47.8
147.04404	5.6
151.03883	21.8
155.06033	7.3
159.04338	17.2
160.05133	35.8
161.05905	4.9
167.06998	100.0
171.04337	6.2
172.05185	4.1
173.05948	14.0
175.07494	45.6
177.05296	5.0
180.05606	13.2
181.06429	6.7
187.03815	7.7
187.07562	28.0
189.05411	21.4
189.06990	4.1
190.06221	27.7
198.06705	16.3
201.05441	19.2
203.84140	3.3
210.06764	4.0
217.04875	4.5
217.08644	3.4
219.06476	26.4
226.06265	35.5
231.06465	19.8
235.07613	4.3
239.06929	3.9
241.08554	97.8
243.06378	7.2
269.08035	40.9
271.05945	6.4
277.21527	19.7
278.21933	6.6
286.08246	13.8
301.10681	72.0
366.26291	5.6
384.27374	14.6
385.27643	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	403.1385
Annotation	5,6,2',3',5',6'-Hexamethoxyflavone
Peak:m/z	Relative Intensity
53.66236	1.2
55.01815	1.4
55.05450	3.6
57.03360	2.6
59.06031	1.5
60.74906	1.6
67.05427	7.5
68.78584	1.6
69.06969	3.3
75.26743	1.3
79.05409	7.4
81.06976	7.5
91.05400	3.8
93.06979	6.9
95.04877	1.5
95.08521	3.8
97.06422	2.7
97.10123	2.6
105.06966	7.0
107.08535	2.8
119.08520	3.4
121.10205	1.6
123.08066	1.8
127.03911	1.7
131.08502	2.5
159.11726	1.8
163.07565	2.3
165.05479	6.0
183.02882	17.8
211.02370	7.8
229.03304	6.0
258.05206	2.4
259.05899	3.4
284.06525	2.1
301.06973	3.5
302.07590	2.2
313.07217	1.6
315.04886	2.8
327.08517	10.9
329.06384	5.5
330.06989	2.8
345.09589	3.8
349.23566	2.4
355.08170	3.1
358.06683	8.3
373.09091	100.0
374.09329	3.0
388.11261	6.0
403.13757	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	3.0
54.81395	1.2
55.01798	2.3
55.05449	2.8
56.96497	2.9
60.60810	1.4
61.02847	2.6
67.05402	2.8
69.03350	17.5
69.06961	1.7
70.06515	5.7
71.67932	1.4
72.08057	3.2
73.67960	1.3
79.05413	3.2
81.03334	2.1
81.06980	1.4
83.04890	9.5
84.04413	7.0
84.08076	7.2
85.02821	10.9
85.06445	2.2
91.05402	20.7
93.06970	74.4
95.04889	8.7
95.08546	2.5
97.02824	2.1
98.92973	1.4
98.97504	2.3
99.59678	1.5
102.05509	1.4
103.05357	2.2
105.06923	2.7
107.08531	3.8
109.06482	2.9
109.10104	6.1
114.36158	1.6
116.88256	1.4
116.98564	3.0
119.04877	6.0
119.08567	3.2
121.06453	100.0
121.10081	2.7
127.07512	8.4
134.99603	3.3
137.09480	1.8
139.07552	2.3
145.10139	1.6
147.04382	11.3
149.09572	6.0
155.10660	2.4
159.11658	8.2
162.05441	6.4
167.07069	3.1
175.11211	2.1
176.06856	1.6
177.12680	1.9
205.12215	30.3
207.06569	2.0
210.02223	6.3
223.11179	2.0
223.13196	15.2
224.93698	2.4
225.04485	12.3
237.02803	1.7
242.04791	6.6
248.93497	2.2
346.89365	1.5
403.14127	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	403.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46403	3.6
52.83749	4.7
53.03882	6.8
54.91257	4.0
55.01820	5.2
55.05445	43.9
57.03358	28.4
62.13666	4.6
67.05446	34.1
69.06980	21.1
69.67480	3.6
71.04866	5.2
71.08540	6.2
79.05405	42.0
81.03331	5.7
81.06968	28.5
83.04888	8.6
91.05400	87.8
93.06978	49.8
95.04883	11.1
95.08517	25.7
99.04391	39.9
102.78267	4.3
105.06967	36.6
107.08469	5.3
109.02822	8.3
109.06445	8.3
109.10120	10.4
111.04383	5.5
119.04885	65.0
119.08547	36.8
121.10023	8.1
123.08126	5.9
124.73883	4.3
125.13451	4.6
127.03851	19.3
130.08528	5.8
131.08501	5.7
133.10072	24.7
137.05974	9.2
145.10121	5.5
147.04395	100.0
147.08078	5.8
156.84401	4.6
175.14813	17.5
179.14296	5.4
203.14230	7.4
239.16393	80.6
240.16324	5.6
308.97403	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	404.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00351	0.7
53.53503	0.7
68.22554	0.8
73.56925	0.9
86.09651	2.9
90.05473	1.1
93.08125	0.9
93.38006	0.9
94.17625	1.0
98.97519	4.4
102.45285	1.0
106.02847	1.2
116.98592	5.3
124.03884	7.0
130.06479	1.1
134.10019	1.0
134.99635	1.6
146.99675	1.5
147.39575	1.0
177.05139	1.0
188.06992	1.2
224.08856	2.1
237.02818	1.8
242.09937	7.8
268.08154	1.7
287.10898	12.7
320.61972	1.0
333.11465	3.3
381.10767	1.1
404.15176	100.0
405.15427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	2.0
55.01807	2.5
55.05430	1.4
56.69344	1.1
56.78745	1.2
57.03379	2.4
57.49358	1.0
59.04919	1.3
61.02839	3.3
69.03349	9.7
70.06510	7.4
72.08070	6.7
81.03328	6.4
84.04459	2.3
84.08046	3.2
85.02828	30.2
85.67529	1.2
86.09629	7.9
91.03873	1.7
91.05406	28.8
95.04900	2.0
97.02824	9.6
98.97500	2.7
104.10665	3.4
109.02830	3.1
109.06512	1.9
119.04894	45.5
119.08495	1.4
121.06434	2.1
124.03996	1.6
127.03845	2.7
145.02852	1.6
147.04396	43.8
155.77853	1.4
162.05461	16.7
164.04659	3.1
167.07034	1.9
175.03865	57.7
177.01799	1.5
177.05391	1.4
179.06966	3.0
184.07341	5.2
190.05116	1.8
192.04128	21.1
193.04915	1.9
207.06497	100.0
208.09706	1.4
225.07529	30.9
238.03876	2.2
282.02774	6.9
288.45798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96487	0.1
57.03371	3.4
65.03862	0.3
69.03339	0.7
70.06501	0.3
71.01270	0.2
72.08067	0.1
73.02838	1.2
75.04398	1.6
81.03346	0.2
83.01234	0.1
84.04451	0.2
84.08073	0.3
85.02342	0.3
85.02833	4.4
85.03351	0.2
86.09629	0.1
86.86392	0.1
91.05408	100.0
92.05743	0.8
95.01248	3.6
97.02827	0.6
97.68540	0.1
98.97543	0.2
99.00738	0.3
101.02378	0.1
103.03881	0.2
109.02805	0.1
113.02302	1.1
115.09611	0.1
116.98551	0.2
119.04916	0.6
124.03952	0.2
131.03340	1.0
137.05959	4.1
141.01804	4.2
145.02840	0.1
147.04442	0.5
151.26517	0.1
159.02834	0.2
162.05533	0.6
163.03946	0.2
165.09067	0.1
177.00444	0.1
177.05414	0.2
193.08565	19.9
194.08881	0.2
204.70187	0.1
211.07610	0.3
211.09618	7.5
234.98907	0.3
242.65302	0.1
257.43622	0.1
282.02795	0.3
351.10852	0.2
369.11975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95232	0.2
56.96512	0.3
57.03374	3.8
60.05578	0.2
61.02863	0.3
65.03868	0.7
69.03340	0.6
70.06514	0.5
72.08067	0.3
73.02832	1.3
75.04391	1.7
79.78374	0.3
84.04421	0.3
84.08056	0.3
85.02834	3.7
86.09620	0.3
89.03819	0.4
91.05408	100.0
91.80667	0.3
92.05735	1.3
95.01271	2.0
97.02831	0.5
97.87541	0.3
103.05444	0.5
107.04913	0.3
113.02307	1.2
116.98611	0.3
117.03353	0.3
118.04122	0.5
119.04897	13.0
127.31580	0.3
131.03372	0.4
132.02022	0.3
135.04370	0.3
137.05968	3.5
141.01828	1.9
145.02829	0.3
147.04401	12.3
149.02368	0.5
157.04022	0.5
163.03893	0.6
164.04657	1.3
174.03194	0.3
175.03879	18.5
177.05539	0.4
179.07005	1.3
192.04137	5.9
193.08571	23.2
207.06505	30.8
208.06839	0.4
211.09641	5.2
225.07515	8.0
235.82236	0.3
332.71609	0.3
369.12006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73607	0.4
53.00232	0.4
55.01802	0.5
55.05435	2.3
56.04963	0.5
56.96484	0.9
57.03351	0.9
57.89421	0.4
60.04454	3.5
61.02844	0.8
65.03855	1.0
67.05408	2.2
69.03348	3.7
69.06979	2.0
70.06500	0.7
71.04898	0.6
72.08067	14.8
73.02814	0.4
73.08405	0.5
74.05960	0.7
75.12999	0.4
79.05370	0.6
81.03332	1.8
83.09275	0.4
84.04411	1.9
84.08065	10.0
85.02825	8.1
85.06458	0.6
86.09620	11.0
87.04379	0.7
87.05503	0.8
87.09978	0.8
88.03899	0.6
89.03821	0.5
90.59415	0.4
91.05402	25.4
93.06939	0.9
95.04870	0.9
95.08522	10.4
96.35840	0.4
97.02818	5.8
102.05444	0.7
103.05381	1.7
105.03329	4.2
107.08516	0.7
109.02837	0.7
113.05965	0.5
116.98567	0.4
117.03318	0.7
118.04113	2.0
119.04893	41.9
119.08531	3.0
120.08022	2.1
121.02816	5.8
121.10031	0.5
123.04342	0.5
123.08011	3.2
124.03894	0.9
127.03893	0.7
128.10675	2.1
129.10191	15.1
130.08549	0.8
130.10498	0.6
132.02034	0.8
135.04347	0.5
135.11578	0.6
136.05130	0.4
145.02812	2.6
145.04991	0.6
147.04381	39.0
149.02289	2.6
149.05908	0.6
149.09598	2.2
151.03857	3.0
157.03928	2.6
157.09642	0.8
161.13228	0.7
162.03020	0.5
163.03870	3.4
164.04742	3.1
165.12688	0.5
166.06274	0.5
173.12848	4.4
175.03862	60.1
176.04247	0.8
177.05409	2.4
179.07028	4.8
180.08534	0.7
185.05188	0.5
186.76483	0.4
189.12677	0.9
190.57918	0.5
192.04126	19.9
192.05862	0.6
207.06488	100.0
207.13708	5.0
208.06825	1.8
213.00627	0.6
216.13435	0.6
225.07536	26.2
226.07845	0.5
231.01613	0.5
237.02731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	2.7
55.05440	0.5
57.03356	1.4
59.99958	0.3
61.02842	0.5
65.36224	0.3
66.63166	0.3
69.03352	7.2
70.06506	0.3
71.04903	1.8
74.05994	0.3
74.33768	0.3
74.73996	0.3
78.03368	9.5
80.04913	2.2
80.22388	0.3
80.26398	0.3
81.03337	16.4
83.04895	2.4
84.04449	0.3
84.08063	1.3
85.02827	8.4
90.10712	0.3
96.04427	5.7
97.02811	4.1
98.59324	0.3
99.04357	2.3
101.05959	2.5
106.02859	49.7
109.02822	6.8
110.07121	0.5
121.24872	0.3
124.03911	100.0
127.03874	3.6
129.10191	0.4
134.99727	0.3
160.32964	0.3
166.04941	0.6
232.06052	1.3
242.10222	2.1
250.07053	7.6
268.08087	29.9
286.09097	0.6
404.15475	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	404.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05427	2.3
56.96498	19.3
67.05433	13.9
69.06969	2.3
73.07153	1.9
79.05386	2.3
81.06950	4.2
91.05436	2.2
93.06970	2.8
98.97511	87.0
98.98162	3.0
99.99352	1.8
105.06940	2.5
108.99616	2.7
109.10091	12.3
116.98563	93.3
122.03587	3.8
134.99612	66.5
137.05943	59.0
153.00665	14.2
197.01158	3.5
212.88084	2.1
215.33479	2.2
226.11128	22.3
229.14273	8.2
231.38612	2.1
235.02705	24.1
238.01509	3.0
244.12157	15.9
253.03767	100.0
271.04764	8.6
276.05429	3.0
277.21667	3.3
362.16098	2.3
404.17337	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	404.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86706	0.3
62.06018	100.0
63.06353	0.3
67.18370	0.3
70.06525	0.4
85.02836	0.6
170.54051	0.3
242.10435	0.3
354.55457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63145	0.5
55.05439	3.4
56.04977	67.1
57.03368	1.4
57.06772	0.7
57.07011	12.3
58.06531	0.6
61.01067	1.4
65.00553	1.3
65.35835	0.5
67.05432	4.6
69.06978	3.6
70.24498	0.6
71.08553	7.3
73.02818	1.0
74.02356	100.0
74.06006	5.2
75.02624	29.0
81.06966	3.9
83.08533	3.7
84.04429	2.6
85.02832	1.2
85.10119	4.3
85.33425	0.5
87.18828	0.6
91.05470	0.6
93.07021	0.6
95.08557	5.7
96.08040	0.9
97.10089	1.4
98.05972	0.7
102.03705	0.6
102.05483	18.3
103.26757	0.6
109.10085	2.8
120.04765	0.9
121.03148	1.0
121.10082	0.7
123.08071	0.7
125.16253	0.6
131.01656	0.9
148.04202	0.8
149.02663	25.4
158.63121	0.6
161.95348	0.6
166.05312	52.8
186.63127	0.6
264.26831	13.0
294.27881	23.6
321.84488	0.7
340.28409	71.9
341.28683	3.7
357.35822	0.6
386.27090	2.8
404.28360	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	34.4
57.03365	26.0
67.05424	100.0
69.03349	5.1
69.06985	26.1
71.08549	8.6
78.03797	5.1
79.05427	34.0
81.06962	37.4
83.04894	8.7
83.08535	10.2
91.05415	10.7
93.06973	37.6
95.08543	25.5
97.10098	30.9
99.04420	4.9
104.99232	7.8
105.06977	25.8
107.08558	19.9
109.10105	55.0
116.98660	4.4
119.08525	7.0
121.10077	7.8
122.56322	4.1
123.08020	4.5
125.09599	25.1
130.08595	19.6
131.14165	4.9
147.11688	4.8
155.43446	5.0
161.13167	5.2
173.11710	20.3
183.98932	5.0
227.12750	10.9
229.14244	38.8
245.13753	5.0
255.16072	6.1
277.21594	9.8
351.25204	48.1
405.30402	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	3.1
53.03869	2.9
55.01803	8.9
55.05452	54.0
56.36401	2.1
57.03368	31.3
57.07009	7.9
57.78712	1.9
62.74665	1.8
67.05428	100.0
69.03342	4.4
69.06989	38.4
71.04891	5.5
71.08551	38.2
74.59312	1.9
75.75654	2.0
79.04959	2.6
79.05402	58.8
81.03325	8.8
81.06507	4.8
81.06970	89.3
83.04906	17.5
83.08547	27.5
85.06456	3.6
87.24217	1.9
91.05405	37.1
93.05739	2.0
93.06968	75.3
95.04897	22.4
95.08540	40.5
96.32788	2.2
97.06459	14.0
97.10109	21.1
98.97475	2.5
99.04391	3.2
99.08023	22.0
104.99181	2.7
105.06988	38.4
107.08551	37.1
109.06455	3.3
109.10107	30.6
111.08046	4.4
117.06962	14.3
119.08526	13.2
121.06462	2.9
121.10132	16.7
123.11698	2.5
125.09596	15.8
130.64601	2.2
131.08546	15.5
133.10071	17.1
135.11646	12.3
145.10048	3.8
147.11644	4.6
149.13237	16.3
151.11151	14.8
159.11674	21.2
161.13268	4.9
163.11137	4.4
171.11607	3.0
173.11729	16.0
177.12709	14.2
185.13171	2.5
187.14552	2.3
189.11134	5.0
195.13672	3.8
227.12721	14.2
229.14241	10.2
235.14044	2.2
249.22076	2.7
259.20575	9.5
269.17407	56.2
277.21603	18.5
351.25177	24.4
369.26358	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	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	2.3
53.03878	8.9
55.01804	7.8
55.05448	45.3
55.53147	1.7
56.96486	2.2
57.03361	12.8
57.07000	9.0
59.04911	2.1
67.05428	74.1
69.03354	10.2
69.06986	36.3
71.04905	5.0
71.08543	43.1
79.05403	37.1
81.03329	22.3
81.06969	50.9
83.04914	10.6
83.08550	18.9
85.06450	4.1
91.05376	25.2
93.06968	56.0
95.04890	24.8
95.08530	49.6
95.09092	3.9
97.06461	12.3
97.10110	21.8
99.08015	23.4
105.06956	21.2
107.08560	25.6
109.06441	9.7
109.10109	30.6
111.08057	2.4
116.00911	2.1
117.06977	2.8
119.08503	16.4
121.10075	12.8
123.08044	8.0
123.11663	3.0
125.09588	11.5
129.06975	2.3
130.60318	2.0
131.08531	3.0
133.10075	12.9
135.11644	10.7
137.09589	16.1
139.11188	3.0
145.10158	2.5
147.04382	3.0
147.11691	4.5
149.13260	4.1
151.11179	35.0
155.10536	3.5
159.11707	2.1
161.13237	4.1
163.11214	7.7
165.12750	2.4
173.11671	6.9
175.14745	2.1
177.12787	2.1
179.14249	4.8
186.60307	2.1
189.11215	4.5
221.15268	8.4
227.12698	7.5
229.14157	3.1
241.19464	2.2
245.13928	2.1
256.10608	2.3
259.20386	3.1
277.21555	69.9
295.22607	100.0
351.25079	27.3
368.27121	2.6
369.21774	3.0
369.26260	44.6
371.07318	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93792	2.9
53.03876	6.0
54.17820	2.4
55.01817	74.0
55.05452	55.8
57.03374	12.3
57.07015	6.9
63.94291	2.6
67.05427	63.5
69.03348	4.3
69.06989	90.9
71.04916	4.1
75.72542	2.6
79.05402	36.0
81.03324	12.6
81.06979	54.6
83.04887	14.5
83.08543	18.5
85.06487	2.8
91.05385	29.2
93.06974	49.4
95.04892	23.3
95.08530	40.4
97.06476	12.0
97.10098	17.8
102.83952	2.9
105.06962	20.6
107.08537	24.1
109.06478	6.5
109.10104	27.0
111.08022	3.4
117.06976	5.0
119.08525	19.3
121.10096	22.4
123.08007	9.4
123.11646	4.2
125.09572	11.0
133.06421	4.9
133.10117	11.9
135.11679	6.5
137.09630	12.2
139.11142	44.0
146.04033	3.0
147.11720	6.3
149.13155	3.3
151.11154	6.4
154.94139	4.6
161.13144	4.1
165.12717	16.7
172.95195	23.0
175.14722	4.4
178.78889	3.1
190.96272	18.9
228.97757	4.2
229.07469	3.5
247.08572	3.8
259.20621	5.2
277.21588	54.2
295.22708	25.0
316.99292	4.2
351.25183	50.3
369.26309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07018	3.8
57.07241	0.4
67.05423	0.8
69.06978	0.5
71.08535	2.3
74.01906	0.3
81.06973	0.7
85.10093	0.9
91.05377	0.4
93.06969	0.9
95.08513	0.9
95.17599	0.4
100.19868	0.4
103.05404	5.9
107.04887	0.5
116.07000	0.5
120.08054	100.0
121.08382	1.0
122.55251	0.5
131.04895	2.5
140.40826	0.4
149.05951	1.6
166.08595	28.9
177.23575	0.4
403.32846	0.7
404.33578	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81346	2.3
55.23087	2.0
56.80454	2.2
56.96243	3.0
56.96504	62.5
57.03374	2.1
57.68186	2.2
98.97517	9.8
107.08502	2.6
116.98543	3.6
134.99602	14.8
138.46036	2.3
144.08037	27.1
163.40280	2.6
166.09084	2.6
202.01665	2.9
204.03325	3.2
205.01622	4.7
206.04868	3.4
213.04181	3.5
215.04802	12.1
218.04782	20.8
220.02766	31.6
222.04422	4.8
223.02722	15.6
233.05861	23.7
235.07664	3.1
236.05835	6.2
238.03838	12.2
239.02272	3.9
261.05405	14.0
279.06436	9.8
286.64362	2.5
291.94968	3.1
334.07339	10.7
345.08963	3.9
352.08694	3.2
360.22495	2.7
361.08557	3.7
363.10086	87.7
381.11102	82.4
404.12762	3.3
405.11093	100.0
406.11600	4.2
407.08783	3.1
423.12067	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	405.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03383	0.6
61.02864	1.0
61.42224	0.2
69.03349	2.0
70.06512	0.6
72.08064	0.3
73.02834	0.5
79.05408	1.4
81.03315	0.5
84.04442	0.3
85.02826	4.4
91.05404	6.2
92.05730	3.0
92.10925	0.2
95.04891	0.5
97.02837	1.2
105.06990	0.6
107.04897	1.1
109.05208	0.3
110.07133	0.5
119.03650	0.3
119.04907	1.3
119.08538	1.3
120.04442	0.4
120.08059	0.3
122.05999	1.1
124.03872	0.3
130.06537	0.6
131.08505	0.4
134.02362	0.6
135.03142	1.3
136.03896	1.5
137.04691	10.7
137.05716	0.5
145.02794	0.4
147.03177	1.0
147.04350	0.6
147.11638	0.6
149.04758	0.5
150.01816	0.4
150.05478	1.5
152.02322	0.3
152.03407	2.4
152.07074	1.1
153.05408	0.5
163.02602	7.1
163.03888	2.3
164.03339	1.7
164.04434	0.5
165.04172	11.5
165.05559	0.5
165.12743	0.3
168.02870	4.9
175.03899	1.2
176.04205	1.3
177.05379	0.3
178.01382	0.5
178.04947	21.4
179.05351	0.3
180.06517	52.6
181.06831	1.2
183.05229	5.6
187.78519	0.3
190.04956	3.1
193.03670	16.5
193.08525	1.2
194.08885	1.2
207.06525	1.9
208.06012	100.0
209.06332	3.0
226.07031	14.7
292.36667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91305	0.9
53.03871	1.6
54.81347	1.3
57.03368	1.4
59.04931	1.2
59.75587	1.0
65.03862	1.9
67.05427	4.4
67.06980	1.1
69.06970	2.7
70.86466	1.1
75.50444	1.0
79.05399	9.2
81.06953	2.1
82.04155	1.3
86.69144	1.0
87.34920	1.2
91.05403	6.9
91.72656	1.1
93.06953	5.1
95.04892	22.0
97.06412	1.8
103.05421	6.2
105.06951	8.1
107.04891	36.1
115.05456	2.1
117.06931	1.7
119.04906	1.8
119.08543	1.5
121.06432	6.1
123.04372	21.1
124.05150	4.9
125.05894	2.8
128.06166	1.6
129.06956	1.9
130.07738	5.0
133.06488	1.3
135.08046	5.6
137.05930	7.6
140.04637	6.1
143.08571	9.7
145.10104	18.1
147.04428	1.8
147.07980	1.4
151.03883	2.3
152.04677	1.2
154.06311	1.1
155.06990	6.5
155.08498	5.0
158.07234	20.3
159.07959	2.4
163.07495	6.4
167.06993	100.0
173.09575	26.9
177.05363	1.5
181.04945	25.8
181.08539	16.5
183.06499	7.5
186.06731	2.6
191.10606	2.7
192.07706	1.4
194.09393	1.6
195.10182	10.0
201.09076	30.7
218.09402	1.6
219.10014	8.4
233.11674	16.4
251.12727	22.7
353.17825	1.4
403.42981	1.4
405.22412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04973	22.0
57.61428	2.2
58.06533	4.6
62.17556	1.9
69.06985	5.9
70.06505	4.1
73.03963	4.2
73.59981	2.4
74.05602	5.1
74.05991	100.0
84.04418	23.9
85.02825	2.4
86.09631	86.5
90.05500	4.2
101.07072	31.1
115.54012	2.4
124.03866	3.5
126.12743	4.9
142.12225	23.9
143.11739	4.6
164.68465	2.4
173.09225	4.0
187.14378	85.4
191.10197	39.3
215.13864	14.9
215.43803	2.4
278.87961	2.8
316.18744	4.7
362.23251	3.1
384.90488	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	405.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01795	6.9
55.05439	24.9
56.96505	40.5
57.03355	25.1
67.05421	76.3
69.06979	31.6
79.05410	46.3
81.06972	100.0
83.04893	7.4
83.08521	19.9
86.71921	5.8
91.05405	39.0
93.06985	70.2
95.08508	24.6
97.06429	7.8
105.06976	29.5
107.08522	36.0
117.06975	7.3
119.04854	9.7
121.10069	8.1
131.08530	12.1
133.10110	7.1
147.04384	32.6
149.13206	29.4
159.11671	10.6
165.12694	8.3
177.12741	12.7
213.04233	7.7
239.02303	7.8
257.03247	10.4
269.17392	78.9
277.21536	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	405.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16261	1.2
55.05447	2.4
60.06415	1.5
70.06511	100.0
70.06897	3.6
81.07002	2.7
87.09143	1.9
92.10246	3.3
92.54121	1.7
93.06972	2.0
96.50268	2.0
97.07597	7.3
115.08641	92.9
120.21288	2.0
120.94545	1.8
125.00010	2.1
145.73012	1.7
154.11739	2.1
165.12817	6.3
175.06447	1.7
184.07300	2.4
193.05508	2.0
296.67242	1.9
341.00577	2.0
382.83688	1.8
387.29849	3.2
405.30887	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17706	1.1
63.70454	1.2
70.06509	1.7
74.60090	1.2
81.32397	1.2
86.47319	1.3
88.59483	1.2
97.60951	1.2
107.06903	1.6
120.08034	2.3
148.32022	1.3
151.63602	1.3
167.98460	1.4
384.05899	1.5
404.18600	1.5
405.34433	100.0
406.34671	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	406.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81861	1.4
55.05445	3.8
57.03373	1.5
61.97472	1.3
69.03349	3.0
70.06500	13.8
72.08061	3.5
76.94354	1.5
79.05398	2.3
79.55706	1.5
84.04395	1.7
84.08044	7.2
85.02824	3.8
91.05399	3.9
98.05963	13.4
101.04608	1.5
114.37527	2.2
115.08608	6.6
118.60561	1.6
119.04877	2.4
127.03861	1.6
134.85783	1.5
136.07539	3.6
147.04500	1.9
162.05460	10.1
198.05240	11.8
203.05228	1.9
207.06441	1.9
208.06630	1.7
244.05724	61.9
248.66476	1.6
282.02710	3.3
406.10953	100.0
406.16379	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	406.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81861	1.4
55.05445	3.8
57.03373	1.5
61.97472	1.3
69.03349	3.0
70.06500	13.8
72.08061	3.5
76.94354	1.5
79.05398	2.3
79.55706	1.5
84.04395	1.7
84.08044	7.2
85.02824	3.8
91.05399	3.9
98.05963	13.4
101.04608	1.5
114.37527	2.2
115.08608	6.6
118.60561	1.6
119.04877	2.4
127.03861	1.6
134.85783	1.5
136.07539	3.6
147.04500	1.9
162.05460	10.1
198.05240	11.8
203.05228	1.9
207.06441	1.9
208.06630	1.7
244.05724	61.9
248.66476	1.6
282.02710	3.3
406.10953	100.0
406.16379	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	406.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81851	0.5
55.05455	0.8
57.07013	12.4
58.06523	3.8
59.39461	0.5
69.05605	0.5
70.06509	38.6
70.93378	0.6
71.08547	2.5
72.08080	4.8
76.05340	0.6
76.05773	0.5
80.05214	0.5
81.38483	0.5
84.08058	5.1
86.09627	7.6
88.07561	4.4
89.05949	2.6
114.09109	3.9
116.98571	0.9
117.52750	0.6
132.10162	11.5
137.05945	8.0
146.11731	10.9
176.12781	2.1
185.65910	0.6
190.14413	2.6
191.06119	0.5
212.23766	3.3
216.84534	0.5
232.51599	0.5
238.25252	2.2
250.16719	0.6
253.03767	0.7
256.26263	3.4
300.28918	62.9
301.29309	0.8
344.31549	29.7
345.31750	0.6
406.35181	100.0
407.35580	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	407.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	1.2
56.96503	23.2
58.65442	0.7
58.99522	1.1
67.05411	0.9
69.03345	1.7
69.07002	1.5
70.06525	1.6
71.04929	0.8
71.95212	1.0
72.08083	1.4
74.97542	0.8
76.02139	8.8
79.05423	3.2
81.03324	1.6
81.06976	0.7
82.36647	0.7
84.04441	5.2
84.08093	4.2
85.02838	3.4
85.24235	0.8
86.09644	0.8
91.05399	6.1
91.28564	0.7
92.05714	0.8
93.07005	1.1
97.02830	1.4
98.97519	96.8
105.06995	1.1
106.02874	3.2
107.04903	1.3
107.08557	5.0
109.02854	1.1
110.97485	1.0
116.01650	1.1
116.98577	100.0
117.03336	0.8
119.04906	4.5
119.08514	0.7
120.05711	1.4
120.08099	0.9
121.02822	4.9
121.10117	0.8
124.03894	5.4
129.10196	1.3
130.04976	1.0
130.06459	0.9
131.08560	10.5
131.49420	0.7
132.08939	1.7
134.99635	67.8
136.07623	0.8
141.20485	0.7
145.02832	3.5
145.10127	2.6
146.03613	0.8
146.06009	0.9
146.99663	3.7
147.04329	1.4
149.09596	4.8
153.00711	9.4
153.10295	0.9
155.11765	1.1
158.01270	1.8
158.99615	27.1
161.01250	0.9
162.02196	1.6
162.05450	0.8
165.00742	0.8
177.00688	57.7
177.05539	1.5
179.04851	1.8
189.00706	0.8
191.10591	0.9
193.07501	0.9
195.01764	7.3
200.02278	3.9
201.07999	1.0
203.05885	16.8
209.11716	9.4
210.12114	3.7
211.18964	0.8
219.01711	6.7
219.09007	1.3
221.06940	22.9
227.05869	0.9
237.02745	4.7
239.07823	0.8
245.06914	17.6
263.08041	9.2
265.08630	1.7
287.08026	4.2
305.09137	1.7
308.09125	1.2
323.10052	0.9
347.10052	0.9
352.10376	0.8
365.11124	15.7
383.12146	10.8
407.12445	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	407.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78548	1.7
55.05457	18.0
70.06516	60.5
71.04872	2.4
72.08076	62.4
82.56492	1.6
85.23716	1.4
98.05977	14.6
100.11189	3.4
102.08464	1.9
114.57529	1.7
120.20736	2.0
147.54666	1.7
165.06941	1.7
177.06938	2.7
189.06940	3.8
205.06483	68.1
217.06474	9.2
221.05936	3.4
222.06825	2.1
232.07480	2.3
233.05943	60.8
234.06702	3.9
235.07414	3.2
242.05937	2.4
245.05942	11.3
248.04639	19.3
249.05415	25.3
250.06213	6.4
252.04071	3.6
258.05438	3.0
260.06912	6.2
261.05228	2.5
262.06171	2.0
263.03384	3.1
263.06918	12.1
264.07742	9.6
265.08582	4.1
267.06454	14.7
272.87329	1.7
275.05826	2.3
276.04044	3.8
277.04852	3.3
277.08521	8.7
280.03580	38.0
288.06494	29.0
289.07150	2.6
291.06470	100.0
292.06741	2.6
293.08060	11.5
295.06009	28.6
303.05173	9.8
305.07037	1.9
309.07346	2.5
315.05203	2.2
318.07547	12.4
319.05859	14.7
320.09180	17.3
330.07520	3.7
348.08664	21.6
362.13803	2.3
389.14954	16.1
390.13315	66.3
398.94174	1.8
401.91962	1.9
407.15930	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04967	0.3
56.96489	0.2
57.05748	0.2
57.20809	0.1
64.51759	0.1
65.18116	0.1
69.06988	8.5
70.06528	0.1
72.08070	0.1
75.60422	0.1
76.02142	0.3
79.81230	0.1
81.03325	0.1
83.04878	0.1
84.04441	0.2
84.08094	0.1
85.02810	0.2
86.09626	100.0
87.09944	1.1
91.05408	0.2
97.02802	0.1
98.97522	0.1
101.07074	8.5
109.06490	0.1
119.04906	0.2
120.07227	0.3
120.08054	5.9
124.03878	0.2
129.06557	2.7
145.02837	0.2
146.06030	0.2
147.04367	0.5
148.04634	0.1
151.03949	0.2
153.34547	0.1
157.13345	0.8
162.02132	0.1
166.08614	1.9
175.19650	0.1
177.05399	0.1
197.12823	1.2
214.15503	1.1
242.14948	4.3
263.06766	0.2
279.16983	4.5
280.17188	0.2
300.39914	0.1
389.21735	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	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77610	0.1
51.77962	0.2
67.69048	0.2
67.97083	0.2
69.07010	0.2
70.13474	0.2
86.09623	100.0
87.09956	1.1
93.94102	0.2
97.20662	0.2
98.86810	0.2
101.07071	11.1
109.06458	0.2
118.37669	0.2
120.08050	10.3
124.03893	0.3
129.06537	2.9
130.06503	0.2
136.89633	0.2
145.02869	0.2
146.06010	0.3
147.04367	0.3
157.13348	0.9
166.08591	3.2
197.12738	2.2
214.15475	0.3
242.14922	6.2
279.16962	7.1
334.21674	0.2
373.46915	0.2
389.21683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81187	2.1
56.70304	2.1
56.96503	3.1
98.97537	2.4
116.98576	3.1
127.83782	2.4
140.64145	2.3
407.23996	100.0
408.24536	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	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96505	1.5
62.07942	1.1
69.24758	1.0
79.66914	1.4
80.99693	1.2
81.06973	1.5
147.04335	1.2
162.39627	1.3
235.28362	1.2
248.50140	1.2
250.07222	1.2
321.16754	4.8
367.17841	1.8
407.23953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71522	0.9
72.47333	1.0
76.56071	1.3
81.06992	1.3
81.56142	1.0
96.10791	1.0
97.06470	1.0
110.63718	1.0
256.28357	1.3
321.16614	5.7
407.23959	100.0
408.24475	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	407.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	2.1
57.03375	7.5
57.07012	8.1
57.39831	0.4
60.59055	0.3
60.59377	0.3
67.05424	1.7
67.41401	0.3
69.06977	1.5
71.08548	4.3
77.28127	0.3
77.47569	0.3
81.06979	2.3
83.08550	0.8
85.10100	1.5
85.86138	0.4
95.08533	4.2
109.10107	1.5
112.99965	100.0
131.01030	0.7
169.02573	46.5
176.94206	0.4
303.52319	0.4
407.26477	0.5
427.64133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05435	5.5
55.16240	0.7
57.07006	5.3
62.43330	0.8
64.33161	0.8
66.51664	0.7
67.05419	4.6
69.06973	9.1
79.05415	1.9
81.06967	17.7
82.79698	0.8
83.04859	0.7
83.08533	3.4
85.10069	0.7
89.05956	1.2
91.05392	1.4
93.06959	8.5
95.08538	13.9
97.10078	0.9
105.06983	6.4
107.08540	9.6
109.10098	6.1
112.99973	2.9
119.08522	4.5
121.10082	8.2
123.11635	3.2
125.06998	1.0
127.06975	0.7
133.10080	4.1
135.07954	1.0
135.11697	3.2
144.06094	0.8
145.10078	1.2
147.11670	4.7
151.07498	4.5
157.10114	1.9
159.11656	1.9
161.09474	1.3
161.13167	1.4
163.11127	1.6
163.14792	1.9
165.09091	1.0
169.02571	1.0
171.11653	1.1
173.09547	3.4
173.13252	1.1
174.10426	1.0
175.07483	1.6
175.11206	1.9
185.09633	1.6
187.11188	6.0
188.08249	1.2
189.09058	19.6
190.09796	8.1
191.10619	4.9
201.09171	1.1
201.12708	1.7
202.09746	1.1
203.10611	23.3
205.12251	1.7
212.11845	1.0
212.50203	0.9
213.09132	1.1
213.12759	2.0
215.10658	4.1
216.11440	0.9
217.12238	4.3
225.12701	3.0
226.09760	0.9
227.10582	11.5
227.14197	1.3
228.11447	4.4
229.12230	7.2
231.13747	1.6
239.10461	1.0
239.14285	1.1
240.11380	1.6
241.12181	9.9
241.15846	1.1
242.12939	1.3
243.13736	8.1
245.15303	36.6
254.12914	1.2
255.13795	1.5
257.15237	3.5
259.16916	5.1
266.12961	1.3
267.13770	4.3
269.15359	1.8
271.17163	0.9
281.15347	4.9
283.16840	5.4
283.26248	5.3
284.26559	4.8
295.16916	8.3
296.17676	1.3
297.18524	1.9
309.18332	1.2
311.20029	1.9
323.19910	9.5
325.21597	1.7
337.21524	10.9
338.22275	8.1
339.23187	5.5
351.23108	5.3
352.23898	1.0
387.07028	1.0
407.29343	100.0
408.29837	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	407.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36260	1.2
55.01815	2.9
55.05451	29.7
57.03369	7.7
57.07019	5.1
59.04936	1.3
61.66891	1.4
65.28059	1.1
65.95979	1.1
67.05429	89.0
67.05788	2.9
69.03345	1.8
69.06989	40.9
71.04911	7.3
79.05410	31.5
81.06975	100.0
83.04907	6.9
83.08538	18.5
84.08082	2.6
85.06472	3.3
91.05408	17.3
92.10317	2.6
93.06969	43.2
95.04901	1.6
95.08532	82.0
97.06454	7.6
97.10112	10.2
105.06971	14.9
107.08537	23.6
108.64021	1.4
109.06480	2.1
109.10107	42.5
111.08044	2.4
111.11639	2.3
113.50486	1.2
114.36028	1.4
117.06937	2.7
118.24747	1.2
119.08545	10.3
121.10093	22.7
123.11650	11.4
124.16865	1.6
125.09623	2.3
127.64063	1.2
131.04909	5.5
131.08568	2.6
133.10107	10.6
135.11659	15.0
137.13263	6.1
139.11183	2.0
145.02824	1.4
145.10092	5.6
147.11647	8.1
149.09671	2.1
149.13252	8.3
151.14731	1.9
155.25635	1.3
159.11624	2.9
161.13217	5.7
165.12735	1.4
170.51534	1.3
173.13319	2.0
191.14435	1.5
243.21008	2.1
261.22055	10.4
279.23120	33.6
297.24179	7.2
307.95416	1.5
313.33380	1.3
353.26743	17.0
371.27872	30.1
372.28000	1.8
389.28922	23.2
407.20239	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46853	0.1
51.67076	0.1
51.80463	0.1
54.11370	0.1
55.20511	0.1
58.12762	0.1
67.05959	0.1
72.37508	0.1
80.14638	0.2
82.13932	0.1
95.02602	0.1
100.13297	0.1
101.00803	0.2
108.02921	0.1
119.01878	6.5
134.99901	0.3
137.02924	4.7
139.50565	0.2
153.00888	0.3
158.99751	0.1
177.00919	19.1
178.01028	0.7
178.14305	0.1
179.00870	0.2
182.99876	0.2
193.04074	0.4
195.01950	0.8
200.02646	0.2
201.00908	1.3
217.04051	4.1
219.01973	32.9
220.02048	1.4
222.01747	0.1
225.00696	2.0
232.95065	0.2
242.03584	0.2
243.01863	4.2
243.04143	0.3
256.95105	0.2
261.03006	100.0
262.03140	3.8
262.05710	0.2
263.03003	0.9
264.02985	0.3
277.00983	0.3
278.01038	0.3
279.00763	0.2
282.99863	0.3
283.99991	0.2
284.04608	1.8
301.01056	1.5
302.01126	1.4
303.00687	0.3
319.01968	0.3
339.76685	0.2
342.95111	1.1
343.95352	0.2
367.01877	1.1
385.03101	6.3
386.03241	0.2
403.04150	13.3
404.04163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	10.5
61.77483	3.5
70.06502	10.7
74.00536	5.3
84.04435	9.0
84.08051	5.1
84.46912	3.8
85.02814	6.8
130.06488	9.7
209.46706	4.7
210.04359	24.5
220.02821	9.6
228.05511	9.0
228.77780	4.6
238.03651	35.5
254.03331	22.9
256.04752	32.8
264.01633	15.3
282.02780	100.0
320.05450	7.2
348.04846	6.3
407.82236	4.9
408.06384	29.1
426.06891	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	408.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.5
54.81679	0.4
55.01808	0.5
55.05458	3.2
56.96490	0.7
57.03369	0.5
61.02850	0.8
67.05428	4.2
69.03339	2.1
69.06987	3.6
70.06509	1.9
71.04906	5.3
72.08056	1.9
73.02810	0.8
79.05406	7.7
81.03321	1.4
81.06982	4.4
83.04894	2.6
84.04438	1.4
84.08066	2.0
85.02818	6.0
85.06470	0.5
86.09632	1.6
87.04368	0.4
89.03824	1.5
91.05402	28.8
92.05738	0.6
92.10868	0.8
93.06977	5.7
95.04895	2.5
97.02821	3.1
97.06467	0.6
98.97497	1.7
100.97257	0.4
105.06971	23.9
107.04885	2.7
107.08518	2.8
109.02822	1.0
109.06471	3.5
112.11169	0.7
116.98528	0.9
117.03357	3.4
117.07000	0.5
119.04900	2.2
119.08530	5.7
120.80409	0.4
121.10099	0.9
123.11664	0.4
125.05912	3.4
125.50069	0.4
127.03901	0.6
129.06976	0.9
131.08536	11.3
132.08896	0.4
133.10095	100.0
134.10486	1.7
135.04367	2.2
135.11687	0.6
137.05975	1.8
138.35275	0.4
145.02791	4.8
145.06358	0.6
147.04388	3.0
147.07971	0.7
147.11649	9.7
149.01164	0.4
149.05919	0.4
149.09634	1.8
149.13255	0.5
151.07550	0.9
151.11163	6.6
155.06973	2.3
157.06409	0.7
157.10162	1.5
163.03868	4.5
165.12721	0.5
167.06958	3.0
175.11136	8.4
177.00766	0.4
177.05441	3.8
185.04199	3.5
193.12201	26.6
201.05460	1.8
211.02684	0.4
211.13249	10.6
247.05669	0.9
252.97824	0.5
267.09579	0.5
273.02597	0.7
285.10202	0.7
293.08032	1.9
343.28879	0.4
392.14890	0.7
409.10980	14.1
409.16772	0.9
423.79587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	2.1
56.96496	3.2
62.06022	4.4
67.05428	5.4
77.00816	15.7
79.11221	1.9
81.06995	2.4
91.60179	2.0
95.01866	13.7
111.96429	1.9
131.01894	3.5
131.67699	2.2
133.03511	2.4
134.99582	2.7
149.02293	2.7
159.04977	3.6
183.60641	2.3
188.05171	3.3
195.04988	21.4
198.07278	3.3
199.07930	2.3
200.05269	3.7
201.09695	3.3
209.06483	15.6
213.06070	28.6
213.09627	10.3
215.11278	12.4
216.08406	4.7
216.59337	2.1
219.10675	5.0
227.07555	15.6
227.11337	4.6
231.10724	27.1
233.12338	10.9
239.11345	3.4
241.12785	3.3
249.13304	3.7
252.12062	14.5
253.12801	10.3
257.12274	3.3
267.14343	89.2
270.13028	22.3
271.13895	10.2
285.15417	63.4
290.15988	2.1
308.16986	3.3
317.19492	20.9
319.21112	10.2
335.20624	69.0
336.20764	3.7
337.22217	11.6
349.21979	3.7
353.21585	14.6
367.18979	3.7
367.23190	32.9
385.24252	100.0
385.39044	2.6
386.24313	4.0
408.25626	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	408.2744
Annotation	Blacknidine
Peak:m/z	Relative Intensity
55.05449	3.9
56.04979	3.9
57.06998	0.6
61.41341	0.3
62.91072	0.3
64.33119	0.4
66.30804	0.3
67.05426	9.2
69.06989	1.7
70.32668	0.4
78.03483	0.4
79.05406	9.7
81.06974	9.2
84.04430	100.0
85.02855	1.9
88.02058	0.5
91.04876	0.7
91.05398	6.3
93.06976	12.0
95.04909	0.9
95.08533	6.4
97.06417	0.5
100.66090	0.4
101.08616	0.4
102.05478	27.2
103.05412	0.5
105.06992	2.7
107.08555	5.2
109.06503	0.5
109.07539	0.4
109.10117	1.9
117.06973	1.6
119.08545	2.1
121.10116	4.9
123.11671	0.6
123.79288	0.4
126.43634	0.4
127.98523	0.5
130.04973	45.2
131.08548	2.8
132.22055	0.5
133.10150	0.9
135.11684	2.1
145.10117	0.9
147.11679	1.0
148.06027	34.5
149.02391	0.5
149.13173	0.5
161.13138	0.5
173.13298	0.6
181.40701	0.5
224.55414	0.5
237.54372	0.5
243.21095	0.4
253.39128	0.5
261.22183	2.9
351.76654	0.4
357.97430	0.4
365.57962	0.5
390.26794	0.5
408.16141	0.5
409.23172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	1.5
59.82240	0.8
67.05439	0.9
69.03341	2.1
70.06526	0.9
71.04903	1.4
72.08066	12.8
76.04030	0.9
78.03362	1.8
81.03325	1.3
81.06994	1.2
84.08076	1.0
85.02834	4.6
86.09626	1.6
91.05414	4.1
93.06963	1.0
95.04888	1.0
95.08545	1.4
96.04462	1.2
96.70107	0.8
97.02782	1.0
97.06427	1.0
98.97529	3.1
106.02843	7.5
107.03209	0.9
107.04891	1.4
109.02851	1.9
116.98624	2.0
119.04958	1.0
120.08070	1.1
123.04388	1.1
124.03912	11.0
125.04294	1.4
128.25977	0.8
128.59938	0.8
133.10095	4.5
134.99631	1.3
139.03889	1.1
145.02861	1.7
147.04393	1.0
152.07024	1.8
162.05467	8.2
177.05379	1.2
201.05252	8.8
205.06436	6.3
207.08075	1.3
211.13255	1.7
233.05875	3.7
233.07898	8.3
234.06744	1.4
235.07452	1.5
237.08998	1.2
250.06235	6.5
251.06981	1.4
252.07700	1.7
267.10034	1.6
269.08463	1.3
275.08768	1.7
278.05725	3.4
279.10043	1.2
283.09598	2.0
293.08026	24.7
302.33319	0.9
361.51862	0.9
392.15012	6.5
409.10999	100.0
409.17340	9.3
410.11362	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	409.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81201	1.1
55.05442	5.9
56.96490	2.5
57.03365	1.9
61.02871	1.1
65.72507	1.1
67.05430	9.3
69.03342	7.9
69.06977	5.5
70.06506	4.9
71.04910	9.8
72.08068	15.5
73.02842	1.3
75.70208	1.3
78.50770	1.1
79.05410	11.1
81.03355	1.3
81.06972	6.7
83.04902	5.1
84.04408	4.6
84.08056	2.0
85.02824	11.4
86.09613	1.9
88.03960	1.6
89.03840	2.6
91.05399	35.2
92.05719	4.8
93.06950	8.7
95.04875	4.2
97.02806	4.8
97.06484	1.2
98.05969	1.7
98.97511	1.3
100.07552	2.0
105.06976	29.9
106.07298	5.7
107.04891	6.8
107.08519	2.7
109.06460	4.9
112.11197	1.6
116.83356	1.1
116.98576	1.3
117.03341	7.8
117.06947	1.2
119.04899	2.2
119.08520	6.1
121.10094	1.9
125.05956	4.6
131.08517	12.7
132.08847	2.7
133.10094	100.0
134.03596	1.5
134.10439	28.7
134.99577	1.4
135.04355	2.7
137.05867	1.5
145.02814	19.9
145.06160	1.1
146.05962	1.3
147.04436	8.8
147.07994	1.6
147.11665	11.5
148.12035	2.6
149.05885	2.0
149.09613	1.8
151.07495	1.8
151.11137	8.4
152.11403	1.2
155.07037	1.2
163.03850	14.8
167.07036	1.8
167.26152	1.3
173.05814	1.1
175.11143	10.2
177.05463	17.2
185.04190	14.2
191.07086	1.4
193.12221	24.6
194.12560	10.0
201.05284	14.9
205.06453	7.3
211.13301	14.2
212.13615	4.7
216.08554	1.5
233.05908	2.9
233.11255	2.9
235.07457	2.0
237.08916	1.4
247.05687	8.7
250.06180	5.5
252.07814	1.9
256.05927	2.0
265.08691	1.8
266.09381	1.4
267.10062	7.0
283.09552	2.3
293.08011	38.0
322.10803	1.4
392.14886	11.7
409.10892	90.3
409.17383	17.6
410.11255	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	409.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00226	1.2
55.01815	0.9
55.05460	9.4
56.96500	1.6
69.03348	2.9
69.06988	5.4
72.08071	36.9
73.77406	1.4
74.87926	1.1
78.34187	1.3
83.04848	1.3
85.02824	3.1
86.09626	47.6
87.09449	1.9
87.09936	16.9
89.03837	1.7
90.55610	1.4
91.05396	5.5
97.02825	1.4
98.05980	7.2
98.97503	1.5
101.07105	2.4
106.79016	1.2
107.04928	10.4
107.08665	1.3
115.05408	1.2
117.06983	1.2
119.04870	5.8
119.30119	1.3
120.08043	1.8
121.08412	1.4
135.04317	1.3
137.05971	2.6
145.02766	2.1
145.06456	2.2
146.05980	2.7
147.04417	11.7
149.02325	1.4
160.05200	2.3
162.05426	5.1
174.06750	2.9
175.07468	5.7
177.05492	2.1
179.08453	1.4
191.06979	6.9
201.05309	29.4
201.36575	1.4
205.06432	19.7
207.08119	12.0
209.09679	1.8
219.07964	1.9
222.06683	1.7
224.08305	2.1
233.05937	10.4
234.06773	5.1
235.07492	8.1
236.08252	6.0
237.09038	3.1
247.12904	1.5
249.09033	2.5
250.06183	18.5
251.06837	2.1
252.07739	16.0
254.09297	7.6
256.05878	5.7
262.06113	2.4
264.07983	2.5
265.08496	6.1
266.09369	5.7
267.10098	33.3
269.11661	8.1
278.05707	3.1
279.10083	7.5
282.02695	2.9
283.09598	6.4
293.08047	100.0
294.08414	2.7
298.11102	1.3
364.15298	2.1
392.14886	23.6
409.12573	1.7
409.17545	41.5
410.18130	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81882	0.4
55.05462	4.1
55.05661	0.8
55.20823	0.4
69.03326	0.5
69.06952	0.6
70.06474	2.1
72.08072	48.1
76.56577	0.6
81.72781	0.5
82.43534	0.4
84.71398	0.5
91.05396	0.7
97.02818	0.6
98.05953	2.4
107.04855	0.6
115.05383	0.8
119.04900	0.7
121.02755	0.5
141.03249	0.7
145.06381	0.6
146.05917	0.6
147.04393	0.8
149.05956	0.4
159.41023	0.5
162.05403	0.9
173.05984	0.8
174.06726	1.0
177.05519	1.3
177.06902	0.6
191.07033	4.7
194.07202	0.8
194.92784	0.5
201.05318	24.0
205.06451	21.8
206.06998	1.1
207.08044	5.6
209.09651	0.5
219.08040	1.9
221.05923	0.8
222.06670	5.5
223.07512	1.8
224.08156	0.7
233.05936	16.5
234.06717	6.5
235.07547	4.8
236.08301	3.8
237.08958	4.4
247.07520	0.9
248.08301	0.9
249.09000	0.9
250.06172	20.3
251.06850	2.8
252.07727	7.9
256.06110	4.1
261.05371	2.3
262.06110	0.8
263.06937	0.7
264.07794	1.9
265.05966	0.5
265.08377	3.8
266.09280	8.6
267.10046	9.4
269.07910	0.9
278.05667	13.1
279.10101	7.5
283.09564	5.4
293.08032	100.0
294.08292	2.6
322.10788	1.0
364.15356	2.5
371.60062	0.5
392.14856	35.7
393.15018	0.8
409.17523	27.0
410.17914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94937	0.1
59.57179	0.1
63.94728	0.1
65.03859	0.1
70.06510	1.2
77.77787	0.1
87.28809	0.1
91.05408	4.4
117.03352	0.3
119.04900	19.4
120.05176	0.2
122.48016	0.1
145.02846	1.3
147.04391	100.0
148.04733	2.2
177.05426	1.2
216.10182	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	409.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	6.3
65.68102	1.2
69.03348	2.7
69.06953	1.2
70.06508	4.9
72.07665	1.9
72.08069	57.6
77.45499	1.0
79.05412	1.9
81.03343	1.5
81.06964	2.4
84.04430	4.0
84.08062	2.2
85.02826	6.6
86.09618	4.8
89.03822	1.4
91.05390	12.7
92.05744	1.6
93.06969	2.0
95.04883	2.0
97.02811	1.8
98.05964	1.8
98.97501	1.8
105.06976	8.0
106.07293	2.4
107.04876	2.8
107.08552	2.2
109.06470	1.5
110.07143	1.2
117.03311	2.5
119.08502	1.8
120.08067	1.8
122.71828	1.2
123.04410	1.5
125.05887	1.3
131.08525	2.9
132.08864	1.6
133.10106	24.1
134.10431	8.0
144.76167	1.4
145.02766	11.4
147.04369	6.6
147.11681	5.8
149.05952	1.2
149.09602	1.6
151.11154	1.6
153.66704	1.2
163.03880	1.9
174.06747	1.4
175.11220	1.6
177.05450	10.2
185.02368	1.1
185.04189	7.2
191.06992	5.1
193.12169	4.5
194.07257	1.5
194.12503	5.2
201.05319	36.5
201.66612	1.2
202.05753	1.8
204.08493	1.2
205.06458	21.0
207.08090	4.8
211.13258	2.2
212.13676	1.6
219.07942	1.5
222.06757	4.7
233.05885	13.1
234.06714	5.9
234.27780	1.2
235.07365	2.5
236.08301	2.0
237.09012	2.0
247.05534	2.5
248.08275	1.2
250.06163	20.3
251.06859	2.1
252.07765	10.3
256.05957	6.3
262.06113	2.4
264.07834	1.8
265.08578	5.1
266.09290	7.7
267.10052	12.5
278.05646	5.5
279.10007	11.6
280.83719	1.3
283.09546	4.8
293.08026	100.0
294.08279	5.0
364.15359	2.0
369.64017	1.2
392.14795	38.1
393.15091	1.8
409.10904	32.7
409.17398	33.6
410.17551	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	409.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	0.2
59.07944	0.3
61.15956	0.2
62.23857	0.3
63.98270	0.3
68.10904	0.3
69.03352	0.5
70.06494	0.6
71.04876	0.3
72.08085	0.4
73.02830	0.6
82.57056	0.3
84.04410	0.5
84.08060	1.3
85.02805	0.5
94.59948	0.3
97.02815	0.4
99.04416	0.5
108.77538	0.3
116.98570	0.4
117.05441	1.1
119.03484	0.3
126.12639	0.3
136.06157	100.0
137.04497	0.4
149.05942	0.3
151.03462	0.3
167.06989	1.5
168.07304	0.5
212.09810	0.4
247.01135	0.3
251.14206	0.3
252.10843	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	409.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02359	1.4
74.71912	0.4
91.05396	1.7
115.05413	1.9
117.05718	0.7
117.06937	2.7
118.06492	28.2
122.19084	0.4
130.06467	1.7
132.08049	8.4
142.06508	2.7
143.07312	3.4
144.04404	0.5
144.08061	21.5
146.05986	100.0
146.65042	0.4
147.06328	0.7
159.09125	8.0
160.07498	1.6
165.15900	0.4
170.05974	7.3
188.07027	97.6
189.07324	2.3
205.09695	24.5
325.67551	0.4
327.43301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2349
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
54.81410	6.3
55.05450	50.7
56.96512	6.0
57.03369	15.1
57.07011	12.6
67.05431	46.4
69.07007	57.5
71.08557	6.4
79.05393	11.5
81.06957	43.1
83.08526	35.0
89.76721	5.9
93.06982	13.4
95.08543	28.8
97.10078	14.1
98.98412	100.0
107.08532	14.5
108.08954	6.2
109.10077	9.6
121.10117	8.6
121.64100	5.8
123.11597	5.8
127.89960	6.9
139.43776	6.4
155.01010	35.8
237.22246	7.8
241.06650	7.1
311.25809	37.4
391.22104	7.1
409.23657	26.6
434.98572	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2347
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05449	71.2
57.07005	72.7
66.13025	14.0
66.63093	15.1
67.05426	19.0
69.06980	100.0
71.08533	16.4
79.05407	14.6
81.06964	67.1
83.08529	31.6
92.34032	14.8
93.06991	30.0
95.08570	17.1
97.10060	24.8
98.98393	65.5
109.10107	24.4
112.99970	29.2
123.11593	15.7
171.54025	16.4
186.43094	17.1
297.24280	20.2
311.25754	98.6
338.33051	16.9
374.67899	16.6
384.31796	18.1
403.31705	17.1
409.24963	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	409.2349
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05434	43.8
55.87447	7.2
56.24731	8.8
57.03355	16.0
65.90086	8.4
67.05414	20.6
68.80267	9.0
69.06982	48.4
76.12197	9.0
79.05396	9.8
81.06963	43.0
83.04850	10.6
83.08533	36.0
93.06986	15.6
95.08508	17.6
97.10085	11.2
98.98389	100.0
102.88280	8.8
121.10119	17.5
135.11580	10.9
155.01001	58.1
181.05307	8.4
191.74432	9.6
217.82976	8.9
311.25739	22.0
340.07739	9.6
409.23618	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	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	0.5
56.96491	2.5
58.88404	0.5
67.05436	0.5
69.07037	0.6
81.06992	0.7
93.06947	0.7
114.37277	0.6
186.54697	0.6
229.07430	0.7
236.03271	0.6
247.08377	0.6
266.24606	0.7
277.11298	0.7
334.37988	0.6
346.25720	0.6
355.14377	0.6
369.19446	1.2
393.30966	2.9
409.25543	100.0
410.25854	4.0
410.42252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01740	0.9
56.96482	0.9
63.51548	0.9
81.06973	1.1
112.94180	1.2
114.61098	1.1
135.84630	1.0
234.84102	1.1
295.39777	1.2
349.16486	1.1
369.19470	1.7
370.76843	1.1
387.20804	1.7
398.10504	1.1
408.35757	1.6
409.25488	100.0
410.25623	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94737	0.6
55.05439	3.8
56.04962	4.8
57.07011	0.7
67.05074	0.7
67.05424	14.4
69.06967	3.6
74.88799	0.4
79.05418	4.1
81.06974	12.2
83.04913	0.6
83.06021	28.0
83.08543	1.3
84.04427	100.0
88.01576	0.6
91.05396	2.4
91.63069	0.6
92.10871	0.6
93.06950	3.7
95.08526	8.7
101.07076	7.9
102.05450	3.6
104.10667	1.0
104.64895	0.5
105.06962	1.0
107.08508	0.8
109.10086	3.6
119.08493	0.9
121.10114	0.8
129.05615	0.5
129.06549	24.2
130.04965	90.4
131.05347	0.7
133.10089	0.8
147.07613	17.5
200.74263	0.6
245.22502	0.7
263.23605	4.8
280.26331	0.6
287.21106	0.7
351.76440	0.7
352.39264	0.6
392.27856	0.6
409.30389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	8.5
57.06998	2.7
60.03358	1.5
60.42556	1.5
67.05421	6.6
69.06976	10.5
71.08547	46.4
71.89294	1.3
71.92174	1.6
79.05399	3.5
81.06964	8.1
83.08538	2.3
86.09615	2.1
88.11189	100.0
89.05962	20.3
91.05391	1.4
93.06946	6.6
95.08523	8.0
95.73103	1.6
97.08312	1.5
97.10081	2.3
99.08025	2.6
105.06939	2.5
109.06444	2.5
109.10076	3.5
119.08554	2.9
121.10142	1.7
133.08563	2.7
138.44402	1.8
165.12701	10.8
184.16800	1.6
195.12245	10.4
196.12587	2.9
280.26257	7.7
291.23138	9.3
363.99286	2.3
378.33591	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	410.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57061	0.5
55.05453	8.0
56.96503	54.9
71.95179	2.9
72.95966	0.7
74.04549	0.6
74.09623	1.5
74.97529	1.6
75.01418	0.5
83.08541	4.6
92.98615	0.7
97.96731	0.7
101.74818	0.6
110.97501	1.4
122.67273	0.7
123.01178	1.5
123.02810	0.6
128.98569	4.6
133.01733	1.5
133.68764	0.6
137.02721	1.1
145.01662	0.8
145.02798	1.2
146.80746	0.7
146.99658	5.0
153.14394	0.9
153.88567	0.7
155.03783	4.4
157.01840	0.9
159.03331	2.3
165.00742	0.9
169.01866	0.8
169.05377	1.1
171.03285	1.1
173.04849	3.5
175.02649	0.7
177.05589	2.3
181.05336	0.9
185.04878	2.7
187.06352	1.6
189.04343	3.5
189.07907	1.5
195.06841	2.8
199.06351	6.4
201.07938	1.0
203.05798	5.1
205.07434	1.2
207.06931	1.5
207.08932	1.1
211.06461	1.5
213.07948	18.0
217.07445	13.0
219.08969	0.8
221.08603	0.8
223.10106	0.7
225.07912	8.7
225.11441	0.7
227.09370	1.0
229.07443	13.5
229.11053	0.7
231.09000	37.1
232.09384	1.0
237.07918	2.4
239.09384	6.0
241.07401	1.0
241.11076	14.2
243.09009	11.2
247.08476	20.8
251.09431	7.5
253.11060	1.4
255.08942	7.2
257.10583	8.4
259.12091	26.1
261.10089	1.0
269.10559	63.5
270.10831	1.1
271.12134	1.6
273.10022	4.7
287.11609	45.9
292.12027	2.3
310.12985	0.8
315.16327	0.8
333.17300	23.3
339.18433	1.2
351.18344	58.4
352.18704	3.4
362.99637	0.7
369.19400	97.2
370.19812	3.3
374.19965	1.0
387.20456	100.0
388.20789	4.0
392.20633	1.0
410.22131	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	410.221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.6
56.96238	1.2
56.96502	20.7
67.05450	1.0
71.95169	1.1
90.20363	0.7
93.83347	0.7
110.97529	1.7
118.69253	0.7
128.98579	6.1
137.08617	0.6
141.99213	0.8
143.00136	1.1
146.99611	6.4
148.00409	2.9
155.03757	0.9
160.00400	2.7
161.01254	1.2
165.00667	1.3
171.03239	1.7
173.04811	2.9
183.03314	1.0
183.06868	0.8
189.04303	4.5
191.05875	0.9
197.01262	0.9
198.39705	0.7
199.06361	11.6
201.00731	1.3
201.04291	1.0
201.07971	5.2
202.05023	1.0
203.05855	6.2
203.09529	1.0
211.02684	0.9
211.06317	7.0
213.07916	3.0
215.02203	7.9
215.05766	0.9
217.04086	0.8
217.07431	22.0
219.09036	6.8
221.06781	0.8
225.07947	0.9
227.05890	1.3
229.07422	62.5
230.07733	1.4
231.09036	7.0
235.08543	1.6
239.05832	3.5
240.06525	1.7
241.07401	1.7
241.10985	1.1
243.08989	3.5
245.06825	3.1
247.08481	87.9
248.08917	1.4
252.09029	2.9
257.06888	8.7
257.10498	1.5
258.07663	10.9
259.08435	4.0
259.12094	3.4
261.10098	3.4
269.10446	6.6
275.07990	2.9
276.08710	8.0
277.09543	0.7
281.10504	0.8
287.11716	1.6
309.17313	3.8
315.16272	0.9
323.18939	1.0
333.17264	11.8
351.18350	25.2
369.19394	55.7
370.19748	1.7
381.74225	0.7
387.20438	100.0
388.20715	3.3
410.21942	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	410.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03771	0.6
55.05443	3.1
56.96505	43.9
58.37551	0.7
59.61191	0.6
60.22604	0.6
63.81675	0.7
71.95164	1.7
72.95946	1.7
74.97532	1.1
75.61225	0.7
83.08620	0.8
84.95930	0.9
87.63719	0.8
92.63760	0.8
110.97543	1.8
128.98558	7.6
143.00081	0.8
146.99629	7.9
148.00410	2.9
155.03819	2.9
159.03316	1.0
161.01225	1.2
165.00743	1.1
171.03271	3.3
173.04926	3.3
175.02766	1.3
177.12794	0.8
181.05261	1.0
183.03259	1.1
185.04849	2.8
187.02797	0.9
189.04384	3.3
191.05875	1.3
199.06364	11.7
201.00844	1.4
201.07999	5.1
203.05847	6.8
205.07430	1.2
211.06326	7.0
213.07948	10.5
215.02289	4.2
215.06039	1.1
215.09558	0.9
217.07449	29.4
218.04544	0.8
219.08961	5.7
222.07774	1.5
223.10074	1.2
225.07912	3.8
227.05925	1.5
227.09608	1.3
229.07449	51.0
231.09019	25.1
233.03433	0.8
235.08458	1.3
237.07961	1.3
239.09435	6.2
241.11063	14.9
243.08994	8.8
245.06929	1.0
245.10625	2.9
247.08484	60.1
248.08929	1.6
251.09550	3.5
252.09052	1.1
253.11238	1.1
255.09042	4.7
257.06873	6.9
257.10620	7.8
258.07715	6.6
259.08368	1.5
259.12125	28.1
261.10126	1.5
269.07669	1.6
269.10556	41.6
270.10446	1.4
273.10071	5.6
275.08313	2.1
275.11594	3.2
276.08865	5.7
287.11636	27.6
292.12289	1.5
309.17661	1.2
333.17282	10.4
351.18344	29.5
369.19394	92.3
370.19907	0.9
387.20462	100.0
388.20789	4.1
410.21854	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	410.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48284	1.9
53.75704	2.2
54.81734	2.7
55.05447	14.2
56.96279	3.1
56.96504	45.8
57.01903	2.3
57.06990	3.0
67.05419	3.4
76.87428	2.6
83.08543	10.5
85.10104	6.0
100.07566	2.9
100.11179	13.6
102.12740	2.7
102.27285	2.6
120.67632	2.6
134.99590	2.7
145.02834	4.0
146.99709	3.9
147.04398	4.0
177.05415	3.9
182.15367	10.8
184.16870	24.4
199.06339	5.0
203.05846	5.0
212.16411	10.4
213.07965	12.6
217.07486	12.9
225.07970	4.1
229.07507	3.0
231.08977	37.9
231.77620	3.0
239.09528	5.1
241.10992	18.0
243.09010	10.7
245.10349	2.7
251.09283	4.3
255.09044	11.0
257.10501	22.5
259.12128	30.1
269.10553	68.7
273.10049	14.2
287.11621	46.3
309.21365	4.6
333.17392	5.6
339.18048	2.7
351.18292	39.9
369.19394	62.3
370.19727	3.4
378.76843	2.9
387.20493	100.0
388.20370	3.9
410.21796	3.7
410.33817	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	410.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05435	4.7
57.03345	2.9
57.07000	4.9
63.12644	2.2
67.05422	11.0
67.22077	2.2
69.03339	13.8
69.06988	19.4
71.08544	14.4
72.08064	3.0
72.09164	2.8
77.69677	2.4
79.05402	22.7
79.84760	2.8
81.03307	2.6
81.06976	15.7
83.04891	12.3
85.02821	4.9
85.10104	27.0
88.25467	2.6
89.03871	2.5
91.05393	12.9
93.06956	28.4
95.08553	9.5
95.18758	2.3
97.06470	13.4
99.08018	11.6
107.08528	15.9
109.10136	5.4
111.04386	14.4
111.08007	3.0
111.16881	2.8
113.09586	37.2
117.03345	21.0
118.62888	2.9
118.97531	2.5
119.04922	20.5
123.56527	2.8
125.05949	3.5
129.05412	16.7
135.11656	30.6
145.02831	53.5
147.04384	62.5
148.04747	11.2
148.84987	2.8
149.05978	4.7
149.13245	14.0
151.11147	4.2
153.12718	72.5
167.14214	2.9
171.13841	3.4
177.05415	48.1
177.12682	3.5
178.05733	3.8
195.13806	22.3
213.14819	100.0
231.15892	5.9
235.07529	6.0
235.14355	2.7
259.03925	4.7
263.06845	5.0
265.15649	3.1
291.06479	5.4
306.05270	4.3
321.07794	2.8
323.09042	3.4
342.07156	3.2
387.18478	2.6
392.11215	19.2
410.12198	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	410.2696
Annotation	Laxiracemosin H
Peak:m/z	Relative Intensity
54.81380	1.2
59.58745	0.8
61.93053	1.0
68.83549	0.9
89.05949	7.1
92.10266	2.0
99.26784	1.2
105.06982	6.3
121.73525	1.0
122.09609	1.5
165.12727	1.3
172.04039	2.0
190.28316	1.1
195.12218	1.5
410.26868	100.0
411.27222	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	410.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20929	0.6
55.05442	5.7
56.04976	89.6
57.07007	3.5
61.01081	49.0
62.98170	3.9
67.05431	17.7
69.06983	8.1
70.83237	0.7
71.36575	0.7
74.02336	1.8
74.05977	5.6
79.05410	19.8
81.06973	16.5
83.08546	1.7
85.02831	2.0
87.02624	9.7
91.05389	9.6
93.06973	18.2
95.04871	0.8
95.08527	14.1
98.98353	1.1
102.05479	14.3
104.05265	100.0
105.06980	6.5
107.08548	9.7
109.10104	4.4
117.06939	1.1
119.08564	3.1
121.10094	7.2
131.08540	3.9
133.03152	67.9
133.10091	3.4
135.11646	4.2
145.10075	1.7
147.11676	1.6
150.05817	68.4
159.11758	1.3
160.55804	0.9
173.13222	1.0
187.14796	0.9
219.21420	0.9
261.22104	1.4
316.26315	5.2
362.26917	9.3
410.26608	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	410.2897
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
55.05443	5.1
56.04979	1.3
57.03358	1.2
57.07018	11.8
57.49825	1.0
67.05117	1.3
67.05429	18.4
69.06982	5.7
69.80474	1.2
70.04507	0.9
71.08558	7.9
79.05392	5.1
81.06986	14.8
83.08547	1.5
84.04430	100.0
85.02793	1.0
85.04751	1.2
85.10108	1.8
89.05974	12.3
91.05398	4.3
93.06957	4.1
95.08533	15.7
98.98406	11.2
102.05476	25.6
105.06997	1.3
107.08569	1.8
109.10107	5.5
110.50674	1.0
119.08553	1.4
121.10075	1.1
130.04968	42.7
133.08531	2.0
133.10098	1.7
147.11636	1.2
148.06029	38.1
155.01006	12.8
170.74161	1.1
239.14827	6.8
275.96127	1.3
285.67618	1.1
362.54749	1.3
393.23843	2.2
425.39706	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	1.8
60.23859	1.2
67.05432	9.9
69.06981	15.3
71.19101	1.0
77.98444	0.9
79.05391	8.1
81.06506	1.9
81.06966	36.5
83.08527	1.3
89.05957	4.6
91.05383	2.4
92.10197	1.1
93.06969	13.6
95.08541	20.8
105.06960	6.1
107.04877	1.7
107.08537	11.6
108.05625	1.0
109.10094	10.7
111.11536	1.1
119.08546	2.6
121.10066	8.6
122.07267	4.3
123.08009	10.7
123.11654	2.1
133.10107	2.2
135.08029	5.5
135.11670	4.4
147.11604	1.7
149.09586	2.0
149.13188	1.3
150.06708	13.4
151.07510	100.0
152.08293	2.6
161.09453	1.2
161.13193	1.4
163.07463	1.9
164.08307	1.8
165.09045	1.3
173.09460	1.4
175.07524	1.2
175.48712	1.1
176.08194	1.6
177.09052	4.2
189.09030	26.1
190.09789	1.4
191.10628	20.4
203.10571	14.1
204.11066	1.9
205.12181	1.5
206.13045	4.2
218.12840	1.2
231.13736	1.6
259.16748	1.2
409.30984	1.3
410.31503	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	411.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73570	0.2
58.24734	0.2
63.02313	0.8
64.33407	0.2
65.03874	0.4
72.08070	9.5
78.04639	0.2
81.42128	0.2
89.03839	11.6
89.10712	5.5
90.04176	0.3
91.05408	6.2
92.10909	0.4
98.05985	0.4
100.17382	0.2
106.04140	0.4
115.08649	1.1
117.03331	43.8
118.03703	0.3
119.04897	16.0
121.06481	0.2
134.03604	3.1
135.04404	3.3
145.02827	100.0
146.03142	1.7
147.04388	75.1
148.04755	1.6
149.05959	15.1
149.79898	0.2
162.03119	0.2
163.03896	1.3
177.05435	91.9
178.05759	2.7
186.05444	0.5
218.11725	6.5
235.14368	21.2
236.14743	0.5
248.12846	1.5
261.12271	1.4
265.15411	12.2
266.15750	0.2
291.13281	0.8
411.19101	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	411.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71964	0.7
65.03864	1.2
66.79003	0.6
72.08066	5.7
74.95937	0.7
89.03821	9.4
89.10708	1.8
91.05401	7.6
92.10548	3.3
99.13438	0.7
114.36423	0.8
115.00954	0.7
117.03326	36.5
117.68726	0.8
119.04878	21.3
128.62715	0.7
134.03517	1.6
135.04373	1.2
145.02814	93.2
147.04381	71.8
149.05952	13.2
171.98366	0.8
173.31073	0.9
173.76479	0.8
177.05421	100.0
180.63579	0.7
186.05441	0.9
218.11688	4.3
235.14326	16.4
248.12782	1.3
261.12390	1.2
265.15396	17.5
326.47992	1.1
411.19055	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	411.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31250	0.3
55.05454	0.4
56.06830	0.3
56.96499	0.4
63.02317	0.6
65.03870	0.3
67.05414	0.6
72.08072	15.8
78.04614	0.5
81.03362	0.4
81.06947	0.5
86.09599	0.5
89.03838	10.9
89.10719	8.4
91.05408	10.3
93.06983	0.7
98.06022	0.5
105.06994	0.4
114.67078	0.4
115.08683	0.5
117.03329	36.8
119.04898	23.2
120.08052	1.9
124.05199	0.4
134.03601	2.0
135.04401	3.3
145.02827	95.4
146.03177	1.7
147.04390	71.8
148.04767	0.8
149.05968	12.6
163.03885	0.4
177.05438	100.0
178.05766	2.2
186.05501	0.7
218.11707	4.9
235.14366	18.8
236.14694	0.5
245.04404	0.8
248.12746	1.8
261.12183	0.7
265.15411	17.5
411.10275	0.6
411.19070	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	411.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34194	1.3
51.82664	1.4
54.81231	1.5
55.05456	1.8
56.04982	2.0
56.96501	1.9
65.44604	1.6
69.03348	3.7
69.07014	2.2
70.06510	11.0
72.08073	11.7
73.02824	1.8
74.06018	2.4
81.03362	2.3
82.25404	1.6
84.04423	6.8
84.08082	10.8
85.02838	10.1
86.05996	2.2
86.09598	12.5
97.02843	3.1
105.06966	3.9
107.08521	2.1
112.08681	2.4
119.04935	2.6
119.08508	6.3
121.02805	7.1
127.03967	1.9
129.10197	5.8
130.06509	3.3
133.10109	2.4
137.64319	1.7
145.02931	2.9
147.04431	9.2
162.05501	2.9
163.03952	2.3
173.79680	1.8
177.03374	1.7
203.05231	44.6
209.36632	1.7
223.25261	1.7
231.13483	16.5
243.01685	2.3
268.10956	2.0
277.04639	1.9
282.02872	2.6
294.08447	2.4
411.11215	6.8
411.19955	100.0
413.62469	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96503	23.5
64.82789	1.4
71.13202	1.3
77.42503	1.4
80.41293	1.7
81.26934	1.7
86.41288	1.6
87.22066	1.4
99.08005	1.5
137.05988	3.8
146.99599	2.2
147.04396	1.9
171.03218	2.6
173.04820	6.4
175.24655	1.7
186.25146	1.7
189.04308	7.8
191.05878	1.9
199.06474	2.1
203.05936	6.6
214.11676	2.2
215.09579	1.7
217.07448	7.6
227.05801	2.8
229.07521	3.2
243.09061	11.9
247.08505	6.3
255.08972	7.6
259.12051	1.9
261.10007	11.1
273.10074	6.0
333.17255	32.6
350.16895	1.7
351.18320	100.0
352.18607	5.7
369.19415	60.4
370.19830	2.7
374.19846	3.3
392.21033	3.1
409.22311	2.0
430.14063	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04350	3.1
55.05442	7.8
56.96498	23.4
57.07014	3.5
67.05403	4.1
71.95212	3.9
87.93526	4.3
93.06940	4.2
98.54510	3.8
128.98535	6.4
135.57774	3.8
146.99599	19.4
148.00397	6.5
160.00414	4.5
169.40414	4.4
178.48631	3.8
189.04306	6.8
199.06483	4.9
203.05853	5.8
203.64072	4.0
215.02188	19.6
217.07417	6.3
229.07475	6.0
239.05931	8.0
247.08548	15.3
257.06909	22.4
258.07626	19.0
275.07971	6.4
276.08698	32.9
333.17276	18.2
351.18307	52.2
369.19373	100.0
387.20313	8.7
392.20959	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	411.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96499	48.1
69.26720	1.5
71.08533	2.2
72.95969	1.9
83.08516	1.8
93.15132	1.7
94.19227	1.6
116.26421	1.7
116.98514	2.5
128.98569	2.6
145.02850	2.5
146.99648	2.2
160.04083	1.9
169.05289	2.5
185.04762	2.5
189.04166	2.1
189.08070	1.9
199.06360	2.4
203.05905	6.9
213.07942	2.2
217.07463	19.4
225.08012	3.0
229.07372	1.8
231.08948	3.3
237.07889	6.9
243.08923	4.2
245.10649	2.4
246.83351	1.9
255.08949	12.8
271.12009	2.2
273.09979	15.7
281.10269	2.1
333.17242	32.3
351.18338	100.0
352.18704	7.1
369.19388	85.4
370.19672	2.9
374.19989	3.6
411.26187	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	411.2503
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
52.57849	0.9
53.00242	1.2
53.97045	0.7
55.05448	8.6
57.03126	1.3
57.03372	16.5
57.07013	65.5
64.53860	0.8
66.66333	0.7
67.05430	16.2
69.06980	11.7
69.40318	0.8
70.06498	4.1
71.08545	42.7
75.43285	0.8
79.02629	0.8
81.06980	18.2
81.80779	0.8
83.08545	9.9
84.73635	0.9
85.09627	1.5
85.10104	20.3
87.51939	0.8
89.05919	0.9
93.06956	1.1
95.08533	25.7
97.10088	4.7
98.98396	100.0
109.10109	10.8
111.11642	0.9
114.62534	0.9
116.07030	5.3
116.99454	4.7
117.07417	1.4
123.11606	3.3
155.01009	75.0
173.02074	2.2
216.36024	1.0
236.53818	1.0
239.23618	12.8
294.32938	1.0
313.27298	33.4
314.27734	1.0
393.23834	8.9
397.62964	0.9
402.80881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40321	2.5
55.05447	5.0
57.03360	2.8
57.06737	3.3
57.07010	74.3
58.07336	5.3
59.29228	2.3
60.17032	2.6
64.55241	2.8
67.05421	4.0
69.06979	3.3
71.08246	2.7
71.08552	50.8
72.08887	3.0
73.06465	5.2
77.69917	2.7
79.98544	3.1
81.06962	5.4
85.06450	3.3
85.10114	25.7
86.09625	4.6
89.05959	100.0
90.06264	6.7
95.08523	6.0
98.98415	23.5
99.89326	2.8
107.07001	3.8
109.10139	3.1
133.08551	22.5
155.01001	18.4
192.00650	2.9
197.39388	2.8
239.14781	10.6
239.23805	4.1
240.24284	3.0
243.23170	3.4
294.73764	2.9
313.27322	5.8
393.32001	21.6
394.32312	17.5
411.24973	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	411.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40132	5.8
55.05444	9.5
64.33422	5.6
66.50253	5.4
67.05418	13.9
69.06982	13.9
79.05405	11.6
81.06968	85.4
89.59343	6.4
93.06978	23.4
95.08526	52.9
107.08510	28.2
109.10063	13.2
119.08543	7.6
121.10096	9.1
142.31253	5.6
145.13376	6.9
153.05415	100.0
166.04578	6.6
175.07475	8.0
188.18930	7.5
191.07132	6.5
193.08580	7.9
340.87537	6.4
347.06390	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	411.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17138	0.3
53.00249	0.4
55.05452	6.7
56.04970	3.4
57.03366	0.7
57.07010	4.5
57.14027	0.3
66.03390	0.3
67.05430	7.1
69.06985	9.6
71.08553	1.5
74.51662	0.4
79.05404	2.7
81.06979	6.9
83.06023	25.6
83.08529	5.7
84.04427	100.0
85.02840	0.4
85.10118	0.5
89.82452	0.3
90.57790	0.4
91.05397	0.5
93.06964	3.7
95.08530	7.8
97.06458	0.5
97.10098	3.0
98.98404	2.9
101.07062	7.8
102.05473	3.6
107.08531	2.5
109.10125	2.8
111.11649	0.8
121.10101	2.6
123.11658	0.6
129.06566	23.8
129.36682	0.4
130.04967	98.9
135.11664	2.1
147.07619	17.4
149.13248	0.5
155.01047	2.2
192.37173	0.5
265.25085	3.7
282.27881	1.7
316.47299	0.4
394.29590	0.7
411.31885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96554	1.8
55.05445	13.0
56.93307	2.0
72.07661	3.9
72.08067	100.0
81.06950	2.5
144.02180	1.9
145.02814	2.9
252.73868	3.0
261.83652	2.1
338.33792	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2229
Annotation	Phe Val Phe
Peak:m/z	Relative Intensity
55.05461	3.7
56.81527	0.5
62.25615	0.5
65.86809	0.5
67.05453	0.6
72.08075	39.6
81.06967	0.6
84.04446	0.5
85.02836	0.9
86.09653	0.5
91.05389	1.9
93.06989	1.0
100.11181	0.6
101.60105	0.5
103.05410	3.0
105.06973	0.6
107.27393	0.5
110.07117	0.6
117.41307	0.5
120.08067	100.0
121.08410	2.7
147.04385	0.9
166.08600	2.0
177.05449	1.0
219.14912	14.7
231.87517	0.6
247.14322	6.9
265.15286	0.8
269.76599	0.6
349.37820	0.6
412.27036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	0.6
55.05448	7.4
56.04974	75.5
57.03363	0.7
57.07010	0.7
61.00760	1.4
61.01078	43.0
64.71857	0.5
67.05424	27.3
69.06994	6.2
72.36841	0.6
74.02360	2.2
74.06007	3.5
79.05408	7.5
81.06973	22.5
83.08541	3.6
84.04426	1.0
85.02814	1.3
87.02628	7.0
87.33183	0.5
91.05396	4.5
93.06974	6.4
95.08533	16.6
97.10102	0.7
102.05477	15.2
104.05263	100.0
105.03671	0.8
105.05624	0.6
105.07004	1.1
107.08509	4.1
109.10105	4.2
118.39809	0.6
119.08578	2.6
121.10130	3.2
123.11671	0.8
133.03149	65.7
133.10101	3.4
134.03305	0.9
136.73328	0.6
147.11705	1.0
150.05812	80.3
161.13341	0.6
245.22624	1.0
251.86156	0.6
270.96411	0.6
282.98813	0.6
318.27936	3.4
354.48367	0.6
364.28336	15.2
364.32507	0.9
366.28204	2.3
373.11353	0.6
412.28693	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	412.3055
Annotation	(9Z,12Z)-3-hydroxyhexadecadienoylcarnitine
Peak:m/z	Relative Intensity
53.36683	0.2
55.05215	0.4
55.05452	5.8
56.04968	4.1
57.07017	2.4
59.06054	5.0
60.05544	0.3
67.05426	7.3
69.06988	8.6
71.08543	1.2
73.68442	0.3
79.05408	3.3
81.06973	6.6
83.08541	4.7
84.04428	100.0
85.02834	1.7
85.04751	0.6
91.05418	0.5
93.06963	4.1
95.08540	6.5
97.06400	0.4
97.10096	2.0
102.05477	29.1
107.08513	2.2
109.10098	2.5
121.10113	2.7
130.04968	51.7
131.05254	0.5
135.11671	2.3
148.06026	36.2
153.33986	0.3
167.88567	0.3
176.60353	0.3
200.85062	0.3
219.50612	0.3
247.24292	0.4
265.25198	2.1
394.28900	0.4
412.30780	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	412.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93523	1.4
51.60649	1.4
55.01820	2.5
55.05457	33.4
56.04977	2.5
56.96494	2.9
57.03366	2.3
57.06994	2.2
67.05428	18.4
69.06988	22.4
70.06499	9.3
71.07291	2.5
72.08078	26.2
79.05415	15.3
81.06978	19.7
82.06498	7.8
83.04885	3.7
83.08531	9.2
84.08070	3.3
86.03009	2.1
90.44856	1.9
91.05405	10.1
93.06958	11.2
94.06461	2.7
95.08540	12.9
95.61928	2.9
96.04456	2.2
96.08057	2.9
97.10102	7.8
105.06925	3.9
107.08546	8.6
108.08073	1.8
109.06493	2.1
109.10076	3.0
110.09650	2.7
112.07565	1.8
118.42458	1.9
119.08537	4.1
121.10094	3.2
123.11620	2.1
125.09571	4.8
126.09184	2.6
138.12744	2.5
147.04419	3.1
175.39674	1.9
182.11615	2.2
184.97647	1.9
194.11774	13.3
212.12939	2.5
226.17955	2.6
236.16408	15.1
238.18105	4.1
254.17464	12.6
256.19110	3.1
292.22748	2.2
294.24188	8.4
316.67075	2.0
325.13217	13.0
348.28897	14.0
366.29944	57.4
394.29532	3.5
412.30496	100.0
413.31073	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	412.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67251	0.2
53.92346	0.2
54.81348	0.2
55.05447	2.1
57.07007	0.4
66.17926	0.2
67.05425	2.8
69.06992	2.4
71.04884	0.2
71.08544	3.6
78.84999	0.2
79.05413	4.9
81.06972	4.6
83.08552	0.5
91.05410	1.4
93.06976	3.2
95.04904	2.3
95.08522	3.8
97.06476	0.6
97.10111	0.3
99.08030	1.1
103.05400	1.9
105.06976	100.0
106.07316	1.8
107.08546	1.6
109.06471	4.9
109.10118	1.3
113.64245	0.2
114.36715	0.2
119.08537	1.1
120.08032	0.5
121.10107	0.6
122.09619	27.1
123.09972	0.2
133.10104	1.3
145.10114	0.2
147.11687	0.3
148.07549	1.0
149.13226	0.5
165.12700	5.3
175.14795	0.2
178.87769	0.2
190.12163	0.3
204.13799	0.4
218.15462	0.4
235.16904	0.3
291.23151	4.5
298.20395	0.3
314.24701	2.6
412.32007	18.4
413.32318	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	413.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80455	2.2
53.38682	2.3
54.81731	2.5
55.05440	4.5
58.99797	2.8
60.95832	2.3
67.05412	11.0
68.68213	2.4
69.06950	2.7
72.08064	15.8
75.99474	2.3
77.00818	11.1
81.06987	4.8
81.36293	2.7
87.85273	2.7
89.80946	2.4
93.78945	2.6
93.93517	2.6
95.01864	14.3
97.06445	2.7
105.06967	5.2
147.04683	2.6
149.02693	2.4
166.74863	2.8
184.17007	3.3
201.09653	17.5
213.09657	25.9
219.10806	19.9
223.08160	4.5
231.08427	3.8
231.10721	100.0
232.10789	4.9
241.09145	30.8
242.09995	28.0
243.10721	2.9
243.14285	9.8
253.12712	4.3
259.10178	10.1
260.10941	9.8
271.13904	3.3
317.19513	13.9
335.20679	39.5
345.82870	3.0
353.21701	83.0
354.22253	4.5
371.22806	64.8
373.69000	2.9
390.21075	4.0
391.19608	2.8
394.24527	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	413.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56230	0.5
55.05445	11.6
55.64335	0.6
56.04967	1.2
57.05756	1.3
57.07001	1.5
71.08547	0.9
72.08067	100.0
81.06950	1.0
84.04424	0.8
95.08517	1.5
98.27480	0.6
98.85229	0.7
104.05264	1.1
105.06936	0.7
106.06493	1.4
130.04976	1.4
139.70834	0.7
150.05795	1.4
152.54755	0.7
243.21069	0.7
310.30930	5.5
338.30444	3.9
346.11664	0.7
413.26468	0.9
413.31949	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81744	0.1
54.81644	0.1
62.15773	0.1
63.02304	0.6
66.04810	0.1
71.62496	0.2
73.51601	0.1
77.03822	0.1
78.04611	0.6
79.05436	0.2
89.03835	14.2
91.05381	1.0
93.06973	0.2
95.04934	0.4
95.12971	0.1
103.05376	1.0
106.04126	0.9
116.04910	0.2
117.03325	43.9
118.03666	0.7
119.04900	0.3
121.06440	0.2
124.05143	0.8
134.03598	3.1
135.04393	4.4
144.04417	2.4
145.02820	100.0
146.03152	1.9
147.04366	0.2
147.06746	0.6
148.07527	0.3
149.05954	16.1
150.06203	0.2
152.10684	0.7
158.05991	0.7
161.04695	0.3
162.03116	0.2
162.05428	0.2
163.03841	1.2
176.07033	3.4
177.05431	93.8
178.05815	1.7
180.10161	0.6
186.05479	1.2
202.08589	0.2
204.06516	6.0
205.07336	1.3
220.09639	26.5
221.09892	0.6
396.05621	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	414.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49212	0.5
54.60704	0.5
58.66855	0.5
59.36953	0.6
62.71519	0.6
78.04671	0.6
86.06035	0.6
89.03824	15.0
92.53197	0.6
117.03322	41.9
124.05138	1.0
131.69997	0.7
134.03558	5.6
135.04396	4.8
139.14969	0.8
144.04471	1.1
145.02818	100.0
148.07524	0.6
149.05946	15.2
158.05965	0.8
161.92001	0.7
176.06999	2.9
177.05429	89.1
178.05832	1.3
186.05443	0.9
201.12872	0.7
204.06549	5.6
220.09650	26.9
244.19635	0.7
249.79124	0.6
255.09369	0.6
369.43784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	5.0
54.27839	0.6
55.05452	1.7
56.96506	0.9
57.03366	2.9
57.41298	0.6
61.02862	4.2
69.03349	15.2
70.06512	3.7
71.04920	7.0
73.02847	3.1
73.06451	8.6
81.03335	18.0
84.04441	1.3
84.08054	1.2
85.02827	70.3
86.09666	0.8
87.04430	1.0
89.19878	0.7
97.02828	25.3
99.04385	53.5
101.05933	2.8
103.03875	100.0
107.04864	1.1
109.02832	16.6
116.98550	0.7
117.05433	1.1
127.03873	89.2
136.06171	11.8
137.04556	0.8
137.06570	1.7
145.04938	33.6
145.06102	1.2
162.04071	5.4
163.04482	1.8
163.05952	24.6
187.06030	3.8
205.07104	1.0
231.59404	0.8
259.11697	4.1
271.08167	3.3
281.09790	0.8
282.10178	1.3
286.26166	0.9
289.09158	1.8
307.10162	9.0
361.14996	1.2
379.16013	3.2
430.10052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10045	0.2
53.03887	0.2
54.81594	0.3
55.05447	4.2
55.11531	0.2
57.03373	2.0
59.37469	0.3
65.03857	0.3
67.05423	1.5
69.03352	5.4
69.06990	0.6
75.41747	0.2
78.81258	0.3
79.05396	1.1
79.99302	0.2
81.03317	1.0
81.06973	1.2
83.04900	9.1
83.80318	0.3
84.08085	0.3
84.91241	0.3
85.02412	0.3
85.02840	4.9
88.03915	2.0
91.05408	5.5
92.10759	0.3
93.06978	0.5
95.04867	0.3
95.08531	0.6
100.96874	0.3
104.06174	0.4
105.06973	1.5
107.08537	21.7
109.06489	1.1
109.10114	0.6
111.04395	7.1
111.81080	0.3
113.05936	0.6
117.06960	1.8
119.08536	100.0
120.08860	0.7
123.07942	0.3
129.05418	0.6
130.59770	0.3
133.06436	3.1
133.10017	0.3
135.08020	12.4
145.10069	0.4
157.10115	0.4
166.07953	0.3
177.09062	0.5
181.10097	0.4
182.40602	0.3
199.11009	0.3
230.12799	0.3
261.11160	0.6
263.12735	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	414.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57261	1.0
54.81482	1.1
55.05450	6.1
57.07006	6.1
60.73083	1.0
67.05434	12.8
68.10182	1.1
69.03342	1.3
69.06989	2.5
71.08550	13.7
79.05412	6.0
81.03341	19.2
81.06978	7.9
83.04940	1.6
83.08527	1.9
85.06469	2.3
91.05405	7.1
93.06979	6.9
95.04902	23.3
95.08540	11.6
97.06461	2.1
99.08028	9.2
105.06961	4.6
109.06468	2.8
109.10106	4.9
110.05997	1.2
111.27554	1.2
117.06961	1.7
119.08543	2.8
121.10078	1.6
131.08559	2.4
133.10126	2.5
137.09534	2.7
141.09169	1.6
151.11166	100.0
152.11595	1.7
159.11702	2.8
161.09528	1.6
165.12732	2.3
177.12735	8.3
257.18936	1.3
275.20038	2.1
293.21051	70.4
294.21317	1.7
396.27707	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03081	1.0
51.58493	1.2
54.60668	1.0
56.61121	0.9
60.46213	0.9
60.69517	1.1
62.98183	10.6
75.49894	1.0
86.09593	1.2
102.62562	1.2
119.08527	6.1
132.09250	1.3
137.55937	1.1
203.93573	1.2
207.76122	1.2
240.63898	1.2
242.33302	1.1
414.29379	100.0
415.29660	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	414.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05283	0.9
57.53883	0.7
58.81632	0.7
59.45026	0.7
60.05516	1.0
65.06791	1.0
66.81378	0.8
67.05432	1.5
69.06985	1.2
72.04420	1.9
81.07000	1.2
88.02132	1.0
93.06984	1.0
95.08537	1.9
107.08488	0.9
109.10117	1.0
109.48251	1.1
116.24737	0.9
119.08545	6.1
374.30191	1.7
414.29681	100.0
415.28586	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	414.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	8.5
56.04974	73.4
57.07007	3.5
59.06043	0.9
61.01080	39.9
62.12390	0.6
64.33130	0.7
67.05424	13.0
69.06986	14.2
71.08535	0.9
71.66679	0.5
72.35464	0.6
74.02351	1.6
74.05978	3.1
79.05399	3.8
81.06976	11.2
83.08536	8.4
84.04458	0.7
85.02841	1.1
87.02615	7.3
91.05395	1.3
92.10891	1.4
93.06990	7.0
95.08537	9.1
97.10081	3.2
102.05482	13.9
104.05264	100.0
105.03677	0.8
105.06992	0.7
107.08525	3.7
109.10110	2.7
119.08513	3.7
121.10098	3.5
133.03156	58.7
135.11714	0.9
136.21982	0.6
150.05815	68.1
151.06126	0.9
292.26447	0.8
320.29419	2.8
366.29919	13.3
368.29730	0.9
413.31619	0.8
414.32578	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	414.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	16.8
56.04970	1.9
57.07013	11.0
60.04457	24.6
67.05428	37.6
69.06990	20.6
70.06474	1.7
71.04899	1.4
71.08547	5.6
75.04414	1.2
79.05405	10.7
81.06971	38.2
83.04897	2.4
83.08536	15.1
85.10136	1.2
86.88691	1.2
87.11965	1.3
90.97633	1.4
91.05406	8.7
93.06968	11.6
95.08525	31.6
97.06474	1.9
97.10089	7.3
99.08039	1.4
104.24300	1.2
105.06990	8.3
107.08537	6.7
109.10116	18.5
119.08546	12.2
121.10120	3.3
123.08054	1.6
123.11662	5.6
133.10107	5.9
135.11632	3.3
137.09560	1.5
137.13234	2.7
142.15887	12.7
147.11621	7.3
149.01242	1.5
151.14735	1.8
154.12212	3.0
161.13249	3.3
175.14726	1.6
186.96805	2.5
204.97821	6.7
245.22583	2.5
252.26807	1.9
263.23608	2.4
280.26312	20.0
322.27240	2.7
372.30966	9.8
414.32040	100.0
415.30075	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	0.4
56.96505	0.4
59.64264	0.4
60.72606	0.3
64.62286	0.3
69.03347	2.0
70.06497	0.9
72.08053	1.0
77.00793	0.4
79.05405	1.5
80.39482	0.4
81.03323	2.3
84.04410	0.6
84.08032	1.7
85.02802	2.7
86.09630	0.8
89.03827	5.6
91.05424	0.5
92.63921	0.4
95.04897	0.5
97.02837	0.8
98.09619	0.4
99.91180	0.5
107.04880	4.0
109.02833	0.9
112.11192	0.4
117.03325	9.8
117.04091	0.8
119.04872	2.0
126.83263	0.4
135.04379	28.1
145.01698	0.9
145.02812	19.2
146.05959	4.1
147.04362	4.4
151.04889	0.4
163.03859	100.0
164.04216	0.9
179.04805	0.5
181.04930	0.8
193.12175	0.4
202.52322	0.4
204.09970	0.5
207.04349	0.9
224.04706	0.7
235.03864	2.3
239.06764	0.5
267.06433	0.4
299.09186	0.6
325.09186	3.4
327.08612	1.9
329.56113	0.6
415.18240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	2.3
54.81377	0.6
55.01809	2.4
55.05444	3.0
57.03378	5.3
61.02855	10.8
61.45771	0.5
64.33163	0.5
69.03348	17.8
70.81014	0.6
71.01273	0.7
71.04932	2.0
73.02831	3.3
73.06055	0.5
73.06469	18.9
81.03334	6.9
85.02828	100.0
87.04395	1.2
87.19575	0.5
91.03881	3.6
92.10311	0.7
94.51930	0.6
95.45340	0.5
97.02227	1.2
97.02822	24.5
99.04379	3.5
101.02292	0.8
103.03842	0.9
109.02820	8.5
115.03901	0.9
127.03871	18.8
145.04936	18.8
152.05612	0.8
163.05974	8.2
198.80309	0.5
253.12802	2.7
350.50415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	5.0
53.38832	3.9
54.81781	4.0
55.05449	41.8
56.90655	4.2
57.03369	4.9
69.03342	9.5
70.06489	10.2
72.08069	67.2
73.02792	5.2
79.05402	6.2
81.03346	5.5
84.08085	6.2
85.02814	27.9
86.09618	28.8
91.05400	7.6
97.02818	17.6
98.05986	100.0
109.02848	6.4
109.20824	4.7
115.08639	77.5
116.98615	7.6
117.03288	21.4
119.04859	8.2
119.08537	4.9
121.02820	8.2
124.03979	4.1
135.04385	18.6
137.05940	7.7
145.02809	43.7
146.05959	9.7
147.04370	24.1
149.05966	18.6
151.03883	9.8
151.95424	4.4
153.07027	5.7
157.20636	4.7
162.05475	31.8
163.03836	7.4
177.05426	56.0
204.00966	4.9
211.07301	4.8
239.06964	10.3
241.04871	27.7
256.07251	98.6
267.06424	5.7
269.04333	19.1
282.02957	6.7
284.06744	54.5
299.09024	48.1
398.15686	27.9
415.18832	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24683	0.6
59.01278	0.7
68.34657	0.8
69.03355	1.0
84.04450	0.9
85.02827	1.9
91.05407	1.2
97.02791	1.4
116.98515	1.3
134.99704	0.9
137.05951	100.0
138.06276	1.6
147.04428	1.5
179.05507	1.6
179.06987	28.9
236.68086	0.8
277.48801	0.9
346.76968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.4
57.03362	0.4
61.02847	0.3
65.03876	0.2
69.03347	3.0
71.04911	0.8
77.04272	0.2
79.05407	1.1
79.60974	0.2
81.03327	0.4
83.04897	1.0
85.02837	0.8
91.05406	9.2
93.06973	0.8
95.04896	0.7
99.04414	0.2
101.05936	0.3
103.05383	0.9
104.06187	1.0
105.06978	1.1
107.04911	1.7
107.08532	9.9
108.05286	0.2
108.08814	0.2
109.06472	0.7
111.04405	0.4
117.06965	2.4
119.08533	100.0
120.08854	1.7
129.05403	0.2
132.85310	0.2
133.06471	1.6
135.08025	5.1
149.05946	0.4
163.11180	0.4
219.17383	0.5
252.69200	0.2
264.08337	0.2
267.12289	0.3
268.12537	0.8
285.13205	0.3
323.18713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40422	0.2
54.65040	0.3
54.82142	0.3
55.01809	0.4
55.05448	0.4
56.42953	0.2
57.03378	0.4
58.46966	0.2
62.41852	0.3
69.03345	2.6
78.75895	0.3
79.05421	1.2
81.03348	0.3
83.04881	0.5
90.11751	0.3
91.05399	8.9
93.06953	0.3
95.04913	0.4
96.73686	0.3
103.05402	0.6
104.06166	1.1
105.06950	1.4
107.07865	0.5
107.08532	8.7
109.06498	0.4
110.07109	1.8
111.04349	0.3
112.00782	0.3
115.05442	0.5
117.07003	2.2
119.08533	100.0
120.08871	1.9
133.06462	1.7
135.08015	5.7
135.31793	0.3
156.07655	0.5
346.01309	0.3
411.57455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46688	1.3
56.96503	3.4
58.73226	1.6
66.69801	1.4
69.03347	4.0
71.97823	1.9
72.08058	1.9
73.09469	1.8
81.06989	1.7
91.05397	8.8
92.62864	1.7
93.68465	1.7
103.05383	1.9
105.06989	1.8
107.08516	8.3
117.06953	3.3
119.08543	100.0
120.08806	2.5
123.57870	1.7
126.07962	1.8
135.08040	3.0
140.76680	1.6
228.37828	1.9
279.28311	1.7
282.17548	2.1
287.25800	2.0
292.98624	2.2
355.70874	2.0
393.43127	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	415.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45252	0.1
54.81089	0.2
55.05432	0.3
57.03364	0.4
61.02843	0.3
63.16867	0.2
64.58205	0.1
65.03854	0.2
67.06401	0.2
69.03350	2.3
71.04882	0.2
73.02834	0.2
79.05424	1.2
81.03342	0.3
83.04902	0.8
85.02832	0.7
88.06258	0.2
91.05402	9.0
93.06970	0.8
99.04363	0.2
103.05399	1.0
104.06183	1.1
105.06962	1.0
107.08527	9.2
109.06428	0.2
111.04374	0.4
112.11088	0.2
114.66051	0.2
117.06963	2.7
119.08531	100.0
120.08855	2.0
129.05464	0.3
133.06477	1.5
133.07417	0.2
135.08008	4.5
145.64351	0.2
146.94907	0.2
161.40918	0.2
180.39632	0.2
200.01070	0.2
213.26106	0.2
231.31050	0.2
257.58182	0.2
303.38333	0.2
349.70557	0.2
354.03000	0.2
415.21255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44680	1.1
53.00239	2.3
54.81751	1.1
55.05446	19.2
56.48789	1.1
57.03381	2.5
57.07011	100.0
63.99771	1.2
67.05083	1.5
67.05424	32.4
68.33511	1.3
69.03353	2.2
69.06995	15.8
71.08545	61.3
79.05390	2.0
81.06512	1.9
81.06971	37.1
83.08538	23.1
85.02822	41.3
85.10098	34.2
93.06967	2.1
95.01255	52.8
95.08527	51.3
97.02859	1.6
97.10098	9.9
99.00699	2.7
108.59087	1.6
109.10105	19.1
111.11684	1.7
113.02301	5.6
119.08521	13.6
123.11662	10.7
125.13218	1.6
136.20190	1.4
137.13190	5.5
141.01799	53.8
143.03375	3.1
156.38263	1.6
159.02943	1.4
172.19359	1.4
221.22513	1.8
239.23625	47.1
242.29124	1.5
336.88171	1.6
415.26883	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	415.3565
Annotation	HMDB12169
Peak:m/z	Relative Intensity
55.05442	21.8
57.07008	15.4
58.68348	8.5
62.12493	9.2
64.85646	8.6
66.17132	13.9
67.05424	13.7
67.60873	8.2
68.11253	10.2
68.38673	8.5
70.57355	8.0
71.08527	13.5
80.36070	9.6
81.06969	53.6
83.08521	14.6
91.05423	18.7
93.06969	23.8
95.08549	57.8
95.19118	10.4
105.06983	20.5
107.08549	46.6
109.10078	14.8
119.08541	85.9
130.92834	11.2
131.08531	12.3
145.10135	17.1
155.84457	10.6
157.10083	16.8
159.11667	12.8
161.09480	17.0
247.39888	12.9
397.34454	39.8
415.35559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49820	2.5
51.44571	2.7
54.71828	2.4
55.05437	16.5
57.07001	2.7
58.99512	4.8
66.45317	2.6
67.05416	23.7
69.06975	17.4
73.00997	3.5
79.05395	11.5
80.04874	2.5
81.06948	13.7
83.04888	3.2
83.08545	5.1
86.00568	12.8
86.98969	3.6
87.02608	6.7
88.02119	3.2
89.35739	2.9
91.05389	11.3
92.10291	4.0
93.06954	12.8
94.06489	14.1
95.04890	4.1
95.08540	20.1
105.06966	5.7
107.08520	13.5
109.10102	6.0
112.02148	4.0
119.08526	6.4
121.10118	3.7
123.08004	5.4
131.08574	3.6
132.01138	3.9
145.06506	2.8
167.06975	4.5
171.11888	4.0
177.05411	6.4
181.04887	3.9
194.11697	3.8
201.09396	3.4
208.81381	2.8
222.09447	4.6
240.10486	10.4
242.12085	3.1
277.78796	3.2
286.11206	3.9
295.22720	3.1
352.23013	13.7
370.24011	27.4
375.20612	3.8
415.29395	3.9
416.19305	5.5
416.24548	100.0
416.29443	8.0
417.24823	4.7
432.08383	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	416.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00921	1.0
51.29701	0.8
52.93191	0.9
54.81400	1.1
55.01799	1.5
55.05453	13.6
57.06995	1.2
58.99522	7.5
67.05426	17.2
69.06992	12.0
70.06491	1.2
73.01046	1.1
74.00529	1.1
75.02635	1.1
76.02146	1.4
79.05410	11.4
80.04917	2.3
81.06968	14.9
82.06500	1.7
83.04893	2.6
83.08540	5.5
85.01039	1.2
86.00571	11.0
86.98981	2.4
87.02592	9.4
88.02122	4.3
91.05402	7.5
93.06982	11.1
94.06504	8.4
95.04918	1.3
95.08530	16.3
97.06441	1.2
97.10091	6.5
97.53360	1.0
100.02119	3.9
105.06963	5.3
107.08537	6.4
108.08025	1.2
109.06448	2.1
109.10124	11.4
110.06007	1.6
112.02157	8.1
117.06953	1.9
119.08521	6.2
120.08041	1.2
121.10099	2.6
123.08021	4.7
124.03134	1.3
126.03649	1.5
127.05813	1.2
131.15456	1.1
132.01108	5.1
133.10106	2.6
136.11200	1.7
137.09657	1.9
138.03706	1.3
147.04387	1.4
150.12785	1.4
167.07001	2.7
170.09920	9.5
171.40588	1.2
194.11751	4.2
198.14845	1.2
201.09404	2.7
204.08484	1.5
216.10562	10.6
218.11984	1.2
222.09453	6.2
222.14963	2.6
240.10469	12.5
242.12051	1.4
258.11563	2.2
268.09909	2.3
277.21564	1.6
286.10962	2.0
294.24237	1.5
311.53479	1.3
334.21970	1.4
352.22952	14.1
370.24008	29.3
380.22327	4.4
398.23389	5.5
416.24582	100.0
417.24878	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	416.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81351	1.4
55.01813	2.7
55.05448	16.4
56.04970	2.1
57.07013	1.4
58.99522	11.0
64.77051	1.4
67.05433	18.7
69.03334	2.3
69.06982	13.0
70.06523	2.9
73.87929	1.5
78.81873	1.4
79.05410	10.1
80.04916	3.1
81.03376	2.0
81.06992	17.4
82.05824	1.4
82.06494	1.6
83.08553	6.9
85.01045	2.5
86.00587	12.5
86.98977	2.7
87.02619	9.1
88.02150	6.1
91.05392	5.9
93.06963	18.6
94.06491	8.4
95.04910	3.1
95.08534	25.0
97.06464	3.2
97.10123	6.7
98.00554	1.7
99.02643	2.0
100.02135	7.5
105.06961	3.6
107.04901	1.9
107.08505	6.9
109.10112	9.1
110.52992	1.5
111.04381	2.1
112.02150	7.4
113.03036	1.6
114.76314	1.6
117.03289	1.9
117.06923	2.3
119.08533	8.1
120.08059	1.9
121.10112	1.9
123.07969	2.8
124.02137	1.9
124.11186	2.8
126.00047	2.3
127.05724	2.6
132.01115	3.5
133.10107	1.9
136.11140	2.1
144.08400	3.0
145.02844	1.8
151.11162	7.6
156.13846	2.0
164.10664	1.9
164.14322	1.8
167.07037	2.3
170.09959	27.2
172.04411	1.7
177.05452	2.4
178.50650	1.7
194.11691	2.4
204.08479	1.9
216.10519	33.6
222.09631	6.9
222.14987	3.3
240.10487	15.0
242.11952	2.2
277.21780	1.8
293.21075	3.2
294.24356	2.6
352.23053	13.3
370.24042	26.6
377.70691	1.9
398.23611	7.5
416.24557	100.0
416.33655	3.4
417.24960	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	416.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81598	1.3
60.66811	1.0
97.66499	1.1
97.90712	1.1
159.90517	1.3
169.20547	1.3
259.41208	1.4
349.73743	1.4
354.09973	1.2
416.31281	100.0
417.31537	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	416.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	1.6
55.05452	18.1
55.82738	1.1
57.03363	1.1
58.06537	10.5
59.07314	8.9
60.08098	17.1
63.69059	0.9
65.24174	1.0
67.05433	9.7
68.04942	1.1
69.03344	11.8
69.06976	2.5
71.08536	9.1
72.52257	0.9
74.06981	1.2
79.05389	6.8
81.06983	8.0
83.00478	0.9
83.04895	2.0
83.08538	8.2
86.05985	33.7
86.09602	1.1
87.04395	44.8
90.99350	1.1
91.05398	4.6
93.06963	6.1
95.08523	5.1
97.06486	2.1
97.10108	9.5
98.21469	1.2
99.08023	4.5
102.09114	58.7
103.05415	1.6
104.06371	2.0
104.07029	36.5
104.10676	18.8
105.06972	2.1
107.04919	1.5
107.08527	2.8
109.06393	1.7
109.10097	2.4
111.08007	1.6
114.37108	1.1
115.05426	1.6
117.03294	1.2
117.06966	1.5
119.04873	1.8
121.69199	1.1
123.04395	2.4
125.09564	1.2
147.04321	2.5
167.07004	26.5
173.05905	2.7
181.04907	11.0
191.06981	2.4
252.67644	1.1
277.21457	2.4
338.92557	1.3
416.28604	14.2
416.33588	100.0
417.15280	2.4
417.33972	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	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.04711	0.2
52.62919	0.2
53.03880	0.3
55.01797	0.3
56.96471	0.3
65.03848	1.6
65.58184	0.2
67.05426	0.4
76.55742	0.3
78.04623	3.3
79.05394	1.7
81.03309	0.3
81.06964	0.3
82.04095	0.4
85.02812	1.2
91.05375	1.3
95.04896	1.2
95.91504	0.2
97.02835	0.3
97.06452	0.3
98.97498	0.4
103.05402	1.1
105.06958	0.2
105.58732	0.2
106.04106	1.8
107.04887	1.2
110.03594	0.5
111.04384	0.5
115.05417	4.3
116.98527	0.3
117.03315	1.0
117.06962	6.6
119.04922	0.5
119.08537	0.3
119.66917	0.3
123.04374	8.3
124.05177	3.6
125.05886	0.2
127.05376	0.4
131.04854	0.4
134.03593	0.6
135.04404	0.3
137.05983	0.4
138.03070	0.2
145.02800	1.7
145.05347	0.5
145.06468	12.4
146.03133	0.3
147.04327	0.3
151.03882	1.8
152.04665	3.3
153.05447	0.3
155.06024	3.1
155.11732	0.3
163.03856	0.4
164.17638	0.2
167.07004	100.0
168.07335	1.0
171.06531	2.0
173.05948	16.2
175.07506	0.2
177.05467	2.0
177.40770	0.2
181.04918	18.9
182.05177	0.3
197.68529	0.3
201.05302	0.8
205.08572	3.0
233.08041	2.9
235.09601	1.5
258.03149	0.3
387.14301	7.2
417.15372	20.5
418.16415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37731	0.3
59.38029	0.3
65.03851	1.7
66.65664	0.3
67.05416	0.8
69.03338	0.7
72.08062	0.5
78.04628	3.2
78.14489	0.4
79.05397	2.3
81.03342	0.5
81.06969	0.4
85.02807	1.9
86.09620	1.9
91.05417	3.2
93.06951	0.4
95.04896	1.4
97.02806	0.4
97.06490	0.3
98.97504	0.6
102.64377	0.3
103.05392	0.6
106.04109	1.5
107.04896	1.8
110.03617	0.4
111.04409	0.6
115.05397	3.6
116.98560	0.4
117.06972	7.4
119.04876	0.7
123.04381	9.2
124.05190	3.6
125.05966	0.7
127.05359	0.6
131.04887	0.6
134.03622	0.4
135.04324	0.4
137.05934	0.5
138.03098	0.6
142.02550	0.5
145.02834	0.4
145.06474	12.6
146.05981	1.4
146.18933	0.4
146.77838	0.3
147.04419	0.8
147.08041	0.4
151.03920	1.5
152.04662	3.1
152.96259	0.4
155.05988	4.1
167.07005	100.0
168.04123	0.5
168.07361	0.6
171.06494	2.5
173.05957	15.5
175.03929	0.6
175.07455	0.6
179.07100	0.4
181.04918	19.8
205.08574	3.1
207.06514	0.8
233.08029	3.2
235.09613	2.0
238.03989	0.5
266.03162	0.7
375.80127	0.4
387.14365	6.7
417.15378	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	417.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49636	1.0
51.57267	1.0
54.81994	1.4
55.05230	1.0
55.05455	16.1
57.03373	11.0
57.07002	6.6
65.03876	1.6
67.05426	68.6
69.06991	15.9
69.44856	1.0
71.04893	1.3
71.08529	1.5
78.00140	1.0
79.05411	22.1
81.06974	71.6
83.04883	1.3
83.08543	10.6
85.06476	2.0
91.05411	13.9
93.06980	21.2
95.04887	1.3
95.08537	61.2
97.06467	5.2
97.10088	2.6
98.98399	100.0
105.06985	10.2
107.08533	11.3
109.10107	23.5
111.07985	2.1
112.96949	1.3
116.99434	2.0
119.08527	11.2
121.10091	11.5
123.07994	1.1
123.11646	8.0
127.75326	1.2
130.86476	1.5
133.10083	7.6
135.11665	2.8
137.13232	4.8
147.11649	5.3
149.13217	4.9
151.14807	2.5
155.01013	73.3
161.13237	4.6
163.14740	2.5
175.14813	1.8
187.31361	1.3
189.16339	1.6
245.22562	9.9
263.23657	25.0
270.46634	1.2
338.83072	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81743	0.2
55.05423	0.5
56.96503	22.4
56.96776	0.7
57.03359	0.3
57.06987	0.3
67.05419	1.7
71.95168	2.7
72.95927	0.9
74.97514	1.7
79.05392	0.3
81.06963	1.6
83.04880	1.8
84.95921	1.2
88.78082	0.2
91.05373	0.4
92.98547	0.5
93.06938	0.3
95.08498	1.6
97.96735	1.3
98.97499	0.3
98.98381	2.5
107.08527	0.3
109.10084	0.3
110.97492	1.8
115.97752	1.4
116.98528	0.5
119.08539	0.3
123.01102	1.2
128.98569	6.2
133.98796	1.3
133.99704	0.2
134.99617	0.4
137.02711	0.4
141.02216	0.8
143.00093	0.3
145.01672	0.3
146.99634	13.7
151.99959	0.3
155.01025	1.6
155.03793	1.8
161.01158	2.2
161.04845	0.3
165.00700	4.2
169.05258	0.4
171.03194	1.3
175.02780	0.3
179.02225	1.4
179.99446	0.2
183.07002	0.3
185.04735	0.8
187.02892	0.2
188.03624	0.2
189.04289	2.5
190.05000	0.4
193.03801	0.9
193.09067	0.3
194.04790	0.3
195.06880	0.3
197.08424	0.4
201.04231	0.5
203.05946	1.8
207.05254	0.3
208.06087	1.2
209.04918	0.3
209.06813	0.8
211.10208	0.3
217.07431	0.8
221.04845	0.3
221.06766	0.3
221.08612	0.3
222.07693	0.2
223.08307	0.5
223.10201	0.4
228.93602	0.2
229.07509	0.3
233.12132	0.2
237.09833	0.3
239.09541	0.3
243.08948	0.2
249.07916	0.3
263.09485	2.4
263.23727	0.3
264.10107	0.3
277.11078	2.5
278.11688	0.8
281.10440	1.2
282.11267	0.3
291.12531	0.9
295.12152	1.2
296.12939	0.5
305.14160	0.3
309.13455	0.2
315.16025	0.3
317.17767	20.3
318.18127	0.4
333.17349	2.8
335.18866	100.0
336.19250	3.8
343.12994	0.9
344.13354	0.5
349.20416	0.5
351.18365	0.3
353.19922	46.4
354.20181	1.3
358.20450	6.9
359.20679	0.4
371.21008	3.2
376.21494	2.5
399.18188	3.8
400.19232	0.5
417.19229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.8
53.43161	0.9
55.01809	1.5
55.05449	16.3
57.03360	2.6
58.79576	0.8
61.02852	2.2
62.21877	0.9
62.56170	1.0
67.05420	5.4
69.03355	12.9
69.06982	6.9
70.06500	1.1
72.08066	1.1
79.05400	6.4
79.70163	1.1
81.03324	4.3
81.06964	12.6
83.04902	12.4
83.08533	2.3
84.04427	1.1
84.08039	1.4
84.39464	1.1
85.02342	1.5
85.02826	29.7
86.09607	4.8
91.05402	28.3
93.06968	36.9
95.04887	5.2
95.08525	16.2
97.02824	6.1
102.90671	1.1
103.05395	6.4
105.06987	11.8
107.04894	4.4
107.08538	34.3
108.05673	4.9
109.02813	4.5
109.06445	4.5
111.04394	7.1
116.85641	1.2
117.06912	1.4
119.04887	11.0
119.08525	6.1
121.06453	32.2
123.04278	1.3
123.08015	100.0
127.03850	4.4
131.08513	1.7
133.07513	1.3
133.10092	11.1
135.07993	2.4
135.11668	17.6
137.05942	9.4
142.07700	2.4
145.04973	1.8
146.06015	1.4
147.04372	6.8
147.08020	4.6
147.11641	14.6
149.05980	12.8
151.07515	34.0
155.06874	1.2
155.27419	1.1
157.10127	5.7
159.11646	2.3
160.08813	1.8
161.05881	1.9
161.09552	2.3
163.05920	1.3
165.05447	11.9
167.05557	1.9
167.06992	55.7
175.11136	31.2
175.12543	1.6
177.09006	2.4
177.12698	1.6
179.06894	1.0
179.10597	9.0
193.08525	1.9
193.12212	6.0
203.10667	11.4
221.11684	95.5
234.90924	1.2
256.04895	1.3
282.02808	2.2
297.27286	1.0
327.75333	1.0
382.83618	1.1
444.55267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69268	0.7
53.03874	1.5
55.01805	0.7
55.05444	9.7
57.03366	1.7
57.06992	1.0
61.02844	1.2
65.03852	1.1
67.05411	4.5
69.03353	10.8
69.06979	4.1
70.06494	2.3
71.04910	1.2
72.08057	2.2
79.05379	4.0
81.00651	1.2
81.03318	4.1
81.06984	6.8
83.04877	7.0
84.04401	1.2
85.02824	28.3
86.09620	1.3
87.04382	1.5
91.04832	1.1
91.05405	33.1
93.06969	23.2
95.04868	5.0
95.08521	10.2
97.02801	7.3
98.97477	1.2
103.05379	4.0
105.06968	10.2
105.56275	1.0
106.02856	2.1
107.04876	3.8
107.08533	25.4
108.05653	1.6
109.02795	4.7
109.06458	4.1
110.07121	1.1
111.04388	5.1
117.27191	0.9
119.04888	28.6
119.08545	8.6
121.06448	17.6
121.84346	1.0
123.08018	55.9
124.03896	8.6
124.08329	1.0
127.03886	2.0
131.08464	1.1
133.10109	7.4
135.07956	1.1
135.11667	9.3
137.05939	6.0
143.08508	1.1
145.02773	1.7
145.04916	1.3
146.05988	1.5
147.04387	100.0
147.11638	8.6
148.04716	1.3
149.05937	8.1
151.07530	18.4
157.10092	2.1
159.11690	3.9
161.09607	1.5
162.05406	1.3
165.05426	7.3
166.29028	1.3
166.58516	1.1
167.07001	31.2
175.11148	18.1
177.05406	1.6
179.10614	1.9
185.13217	1.6
193.08559	1.6
193.12141	1.9
203.10638	8.0
203.14223	2.3
221.11678	52.2
337.41718	1.0
337.45889	1.1
369.93585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44646	0.1
53.19412	0.1
55.05441	0.7
56.04960	0.8
57.03373	0.1
59.77961	0.1
60.96767	0.1
67.05428	2.8
68.04949	0.3
68.05756	0.1
69.06982	0.6
78.05692	0.1
79.05415	0.9
81.04449	0.8
81.06974	2.4
82.05240	0.3
82.07291	0.1
83.06023	7.4
83.08538	0.1
91.05392	0.7
92.10859	0.1
93.04453	5.5
93.05043	0.2
93.06960	0.6
95.05005	0.2
95.06015	5.5
95.08510	1.2
96.08862	0.3
97.06486	0.2
98.98405	1.6
105.07014	0.1
107.08560	0.2
109.10093	0.6
110.07111	100.0
111.05484	0.1
111.06794	0.2
111.07457	0.8
112.08659	0.5
133.10161	0.1
138.06609	0.2
155.01018	1.0
156.07654	23.7
157.07895	0.2
168.09776	0.1
263.23950	0.1
264.24100	0.3
372.29987	1.2
396.44662	0.1
400.29529	0.7
418.30548	16.9
419.30713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07151	2.5
54.81437	2.5
55.01809	5.1
55.05441	30.5
57.03362	15.1
57.07004	5.8
59.04937	3.8
67.05428	100.0
69.06993	45.3
70.49316	2.4
71.04897	42.3
79.05401	32.1
81.03321	6.3
81.06973	67.1
83.04890	6.2
83.08533	14.0
85.06445	4.8
91.05422	37.8
92.10899	5.8
93.06979	58.1
94.07291	2.9
95.04881	16.2
95.08531	55.3
97.06458	18.4
97.10114	5.1
98.98397	16.6
105.06960	21.7
107.08516	26.4
109.06471	6.7
109.10109	59.4
110.07104	21.9
111.08028	4.4
118.01634	2.7
119.08533	19.9
121.10126	23.2
123.08008	6.7
123.11681	5.6
125.09527	5.3
131.08531	3.2
131.94102	3.1
133.10080	15.1
135.11650	6.0
137.09589	25.2
139.11150	4.8
147.11665	11.7
149.13184	4.0
151.11137	5.2
155.01036	4.9
156.07613	3.6
161.13252	6.6
165.12692	3.3
173.11665	4.8
173.13242	3.5
185.13164	3.6
229.14328	4.4
231.21170	4.8
249.22075	4.6
259.20636	5.6
277.21573	55.2
309.24081	12.6
351.25214	79.1
352.25537	2.9
369.26111	6.4
383.27890	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31163	0.4
51.82727	0.5
52.92078	0.5
57.03374	0.5
58.78369	0.6
60.04435	1.0
62.40070	0.5
64.33179	0.8
69.03359	1.0
70.06501	3.8
71.16778	0.5
72.08066	2.4
84.04420	3.0
84.08054	2.7
85.02814	1.4
86.06001	0.6
86.09636	0.8
87.43484	0.5
98.97496	0.7
104.97873	0.5
108.37620	0.7
109.02835	0.7
110.07101	2.7
112.08639	0.7
130.06473	1.1
136.15048	0.6
137.51518	0.6
146.64725	0.6
146.67545	0.5
147.04282	0.7
151.03880	12.1
153.58078	0.7
161.03011	0.6
161.13736	0.7
162.05470	1.2
163.03905	1.0
180.99323	0.6
275.10986	7.5
280.12445	0.8
282.02707	1.0
284.89459	0.6
335.11914	0.7
357.15079	16.3
359.13022	8.0
401.14151	1.1
419.15118	100.0
420.15466	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	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	2.7
54.10136	2.0
55.01807	3.7
55.05459	8.6
56.96492	2.3
67.05423	3.0
70.06509	2.3
75.59232	1.9
79.05398	13.5
81.03351	4.8
83.08543	2.4
85.02834	5.1
89.03857	2.6
91.05402	16.0
91.58035	2.2
92.10916	5.0
95.04890	3.7
97.06489	2.6
100.11176	15.9
105.06974	13.0
107.04926	26.9
111.04411	5.3
114.09081	4.7
115.05405	11.9
117.03310	4.0
117.06998	19.7
119.04908	9.1
119.08617	2.2
121.06441	2.6
123.04379	3.1
124.05221	3.0
125.05951	3.1
128.06154	2.7
129.06960	5.1
131.04907	3.1
131.08527	12.5
132.05682	2.2
133.06444	5.3
135.08041	3.2
137.06035	2.1
138.77107	2.4
141.07018	3.6
142.08655	2.7
144.05679	4.6
145.02808	4.9
145.06482	36.1
147.04408	23.3
149.05983	2.7
151.03857	2.6
154.06264	2.9
156.05690	13.3
157.06473	2.8
159.08031	15.3
161.05971	8.7
167.07011	66.8
168.07317	4.1
171.06546	3.1
173.05957	33.2
175.03952	3.7
177.05434	9.8
178.47392	2.3
181.04872	13.6
182.05333	3.0
182.15263	3.0
184.05241	2.4
186.06799	3.0
187.07532	4.9
190.06296	16.1
191.07004	3.1
193.08525	3.6
202.06218	3.6
205.08563	24.8
207.06520	4.5
208.05200	32.0
210.08859	2.9
210.14894	3.6
217.08577	29.3
218.07288	2.5
219.07985	8.6
221.06071	2.6
221.08017	2.8
231.07967	2.5
233.09947	3.1
235.07481	2.4
235.09901	2.7
236.04625	14.1
243.85660	2.2
247.07500	3.0
247.09744	4.0
248.08246	3.1
254.05638	13.7
263.10635	3.7
264.07559	2.7
266.03281	3.3
267.06525	9.7
268.03568	3.9
269.07996	30.0
271.06015	2.6
271.09573	4.0
272.06735	3.4
275.06891	4.1
276.07785	3.9
277.08740	2.4
282.05261	3.2
282.08807	10.6
290.09171	2.6
291.09961	4.9
301.06824	3.7
307.09515	4.5
310.08469	4.9
315.08566	100.0
319.09433	3.1
323.12637	3.3
328.09366	9.0
330.10892	77.2
331.10962	2.2
343.11722	11.4
351.12180	4.1
368.12674	3.2
369.13284	3.4
383.14587	16.2
401.15799	8.4
444.44897	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	419.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	0.7
55.05453	29.5
57.03369	12.0
57.07011	6.8
67.05425	29.6
69.06984	31.5
71.08556	3.5
79.05409	11.9
81.06966	31.6
83.08541	18.6
85.06453	1.3
90.02127	0.9
91.05410	1.0
92.10269	1.0
93.06974	13.8
95.07957	1.7
95.08526	28.3
97.06457	4.1
97.10081	12.4
98.98390	100.0
99.08081	0.9
107.08549	10.7
109.10112	13.2
111.08035	3.8
111.11661	3.6
113.09563	0.8
116.99445	4.8
121.10093	14.9
123.11668	3.4
127.37705	0.9
135.11646	9.8
149.13226	1.8
151.14835	1.0
155.01010	75.3
162.15710	1.0
166.29816	0.9
247.24179	6.2
265.25201	11.8
270.88364	0.8
419.27576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	1.0
56.04956	0.9
57.07005	0.9
67.05435	0.9
69.06990	2.2
70.06499	3.6
71.08544	0.6
71.79944	0.6
73.00000	0.5
74.16605	0.6
79.05417	0.6
81.06989	0.9
84.08068	100.0
95.08531	1.0
98.98402	0.8
101.10722	2.3
109.06445	1.1
110.16500	0.5
111.09141	0.9
112.07546	0.8
128.37923	0.7
129.10199	76.4
132.10112	0.6
146.11845	0.7
155.00974	0.7
160.02150	0.6
165.12709	3.1
291.23251	0.8
328.50235	0.6
354.26526	0.6
356.35159	4.5
357.35510	3.4
401.31595	2.7
418.38770	3.4
419.32281	7.3
419.39090	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	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.5
56.96495	1.0
57.03383	2.4
60.29610	0.6
69.03349	12.1
70.06522	0.8
71.04904	1.1
73.02818	0.8
78.03365	7.2
80.04949	1.3
81.03333	15.5
84.04426	0.6
84.08070	2.9
84.36322	0.6
85.02827	6.8
96.04399	6.3
97.02805	4.3
98.97517	1.4
99.04388	3.6
105.06975	1.2
106.02858	43.3
109.02790	5.2
124.03908	100.0
125.04230	1.3
127.03874	3.4
128.78209	0.6
129.10153	0.8
133.06438	2.7
144.70950	0.6
161.02928	1.5
161.05939	2.6
231.22205	0.7
232.06082	0.9
250.07062	4.6
258.09628	3.0
268.08081	28.2
293.10800	0.8
329.04538	0.6
345.63907	0.7
420.14908	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.6
55.01811	2.1
55.05444	12.0
56.04981	1.6
56.96493	2.1
57.03368	2.7
61.02859	1.7
63.45620	1.7
66.62258	1.6
67.05428	3.0
69.03351	16.7
69.06982	3.2
69.99568	1.5
70.06508	3.8
71.04906	2.3
71.08521	1.5
72.08041	1.8
76.78318	1.5
79.05392	8.3
81.03339	4.5
81.06964	12.6
83.04892	15.0
83.08533	3.1
84.04388	3.1
85.02829	31.4
87.04366	2.9
91.05404	17.5
92.10260	2.0
93.06969	58.3
95.04858	2.2
95.08533	21.1
97.02813	11.8
97.06432	3.4
98.97544	2.8
99.04418	2.2
99.08014	2.9
100.11195	13.0
105.03317	4.1
105.06962	3.5
107.04935	2.3
107.08533	35.9
109.02792	4.0
109.06443	12.4
109.10087	6.7
111.04360	3.3
111.08026	17.1
113.07101	1.8
116.98543	3.3
117.03259	1.7
117.06944	2.4
119.04899	2.6
119.08538	15.6
121.02831	2.5
121.06439	8.5
121.10074	17.6
123.07940	3.2
124.03923	3.4
125.09557	3.0
127.03832	2.4
131.08513	2.4
133.10094	15.1
135.08022	11.5
135.11656	47.6
137.09587	94.9
139.03926	2.0
139.07500	9.2
143.43503	2.0
144.13812	2.3
145.10094	2.1
147.04393	7.0
149.05974	3.5
149.13214	19.6
153.05388	4.2
159.11664	22.2
162.05432	9.2
163.07497	10.0
163.11153	11.4
177.12711	98.2
178.13000	2.2
181.08546	25.8
195.13763	100.0
205.12172	11.1
221.02945	2.1
223.09686	3.9
223.13223	48.6
241.14284	53.2
420.33463	3.1
420.83557	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	3.5
55.05443	8.0
56.96495	4.8
57.03365	15.1
59.04915	4.0
67.05424	6.8
69.03345	8.8
69.06962	3.4
70.06503	20.6
71.04881	3.6
72.08053	6.0
74.46936	3.6
79.05408	5.4
79.60213	3.5
81.03333	5.9
81.06958	22.3
83.04876	16.8
84.04418	8.2
84.08051	6.2
85.02824	30.6
86.09602	14.8
88.03926	3.5
91.05388	18.6
93.06985	25.9
95.04884	7.1
95.08524	24.1
97.02825	6.4
97.10079	3.6
98.97537	7.7
99.43271	3.3
100.20814	3.3
105.06979	5.5
107.04876	6.2
107.08517	13.8
109.02820	4.7
109.06455	57.5
111.08006	22.0
117.06937	4.6
119.08519	19.5
121.02799	8.6
121.06473	56.4
121.10114	4.5
123.07987	21.1
125.09588	4.5
133.10085	15.9
135.08046	30.6
137.05928	4.0
137.09579	4.6
139.07561	3.7
145.10100	4.2
146.06010	6.1
147.04411	5.1
147.11641	7.7
149.05974	7.3
149.09616	7.6
151.11139	23.2
153.09071	19.9
160.08821	7.2
175.11133	56.7
177.12679	5.5
181.04918	6.4
193.12193	100.0
205.12186	18.2
223.13318	41.7
237.02805	4.4
266.03409	4.0
420.08765	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	420.3105
Annotation	8-Ethoxysachaconitine
Peak:m/z	Relative Intensity
51.56851	0.2
51.97036	0.2
55.05445	1.4
57.07017	8.1
65.03858	0.3
67.05425	2.4
69.06979	1.4
71.08543	4.3
72.08073	0.4
81.06974	3.1
83.08533	1.1
85.10098	1.9
88.75381	0.2
91.05408	18.9
93.06975	0.3
95.04897	4.5
95.08531	3.1
97.10094	0.6
101.95263	0.2
103.05383	0.4
107.04924	0.2
109.06477	0.5
109.10104	1.1
118.06480	1.0
119.04897	27.9
121.06461	0.9
123.04382	31.7
123.11700	0.3
136.07556	100.0
137.05988	0.3
137.07915	1.0
147.04390	12.8
155.01097	0.3
160.30777	0.2
165.05441	38.7
166.05737	0.4
168.04691	0.2
182.08101	39.8
183.08418	0.4
218.37967	0.2
289.47287	0.2
370.53665	0.2
374.30530	0.5
420.30875	0.9
421.25534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87873	3.1
54.74594	3.3
60.46021	3.9
63.68771	3.4
67.05429	5.8
69.06982	20.7
70.06512	4.3
73.47664	3.7
79.05396	4.6
81.06956	5.9
84.08064	22.3
86.09634	52.5
91.05385	5.2
95.04844	5.3
99.43459	3.9
100.11217	5.6
101.27766	3.6
109.02881	4.9
118.17465	3.9
135.35706	3.8
145.02809	5.3
147.04390	5.5
151.53528	4.7
168.13797	5.1
177.05450	6.8
205.06450	85.9
205.08287	4.6
231.04439	4.3
232.93806	4.4
233.05890	72.3
239.82526	5.6
248.04607	10.0
249.05334	40.5
250.06081	5.6
261.05554	6.6
263.07022	8.8
264.07758	16.9
265.08710	7.2
267.06467	7.1
277.04922	20.1
280.03580	45.8
288.06421	17.7
291.06454	100.0
293.08133	10.2
295.05951	21.7
309.07434	5.9
319.05872	5.7
320.09000	6.8
348.08563	31.2
404.15002	16.1
421.17471	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03663	1.2
53.03881	13.4
53.28694	1.6
55.01799	7.3
55.05431	10.4
62.17035	1.2
67.05425	16.2
69.06993	10.9
71.04914	2.2
79.05404	7.7
81.03331	54.1
81.06969	7.0
83.04891	2.2
83.08524	1.7
91.05405	3.3
93.06968	12.1
95.04881	3.6
95.08527	12.7
97.06451	1.6
105.06950	3.3
107.08543	3.0
109.02820	100.0
109.10106	6.4
111.04359	2.1
114.92166	1.5
116.98564	1.8
119.08520	6.4
121.10078	3.4
125.02293	9.3
127.03829	7.9
129.56091	1.5
135.07982	1.5
136.93449	1.9
137.09569	5.7
139.11156	1.8
141.21750	1.5
205.12344	2.6
217.08086	1.5
277.21445	8.0
295.22556	3.5
338.96646	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96499	1.1
58.41927	0.5
62.12666	0.6
66.86168	0.6
70.06508	93.4
81.06966	0.7
104.99200	1.4
116.07040	100.0
122.03622	1.2
134.99571	0.7
135.59018	0.6
137.05951	33.1
138.06305	1.2
210.55814	0.6
212.98381	0.9
226.11089	3.7
227.50359	0.7
244.12140	3.9
287.44614	0.8
362.16211	0.8
375.97928	0.7
380.12759	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39310	2.8
53.03876	5.0
54.81439	2.5
55.01801	4.7
55.05437	19.6
56.04963	4.0
56.55973	2.7
56.96508	4.6
57.07001	4.8
59.04907	3.7
67.05425	26.6
69.03349	79.8
69.07000	20.7
70.06505	54.9
71.04878	4.5
72.08071	12.0
79.05423	12.0
81.03325	3.7
81.06966	17.6
83.04912	10.2
84.04415	11.5
84.08059	6.9
85.02803	15.9
85.06483	5.5
86.09622	14.3
86.73141	2.9
91.05404	38.8
93.06968	80.6
95.04907	24.8
95.05387	3.1
95.08530	57.8
97.02811	4.7
97.06468	11.2
98.05983	3.7
105.06979	60.4
107.08495	25.6
109.10098	14.9
111.08019	35.3
114.74061	3.4
116.07074	4.7
117.07014	3.5
119.08535	100.0
121.06417	7.1
121.10082	46.7
121.32825	3.7
123.08025	36.1
123.11604	3.6
127.03871	4.4
130.15894	4.6
131.08528	13.1
133.06447	13.2
133.10080	41.3
135.08058	5.5
135.11670	36.1
137.05896	4.3
137.09612	6.3
137.13211	12.4
143.08458	4.1
145.10095	6.8
146.10884	5.1
147.04398	4.6
147.08028	15.1
147.11708	26.1
149.09607	16.5
149.13211	3.3
150.09195	3.3
151.07501	11.4
156.09338	6.3
159.08015	7.1
160.43083	3.1
161.09560	3.9
161.11990	4.0
161.13225	75.8
162.05470	19.9
163.05772	3.2
163.11082	3.4
167.72945	3.3
171.11710	3.7
173.13290	6.5
174.10419	3.5
189.12718	78.5
191.14279	39.3
207.13771	55.3
210.04308	5.8
213.12267	7.0
220.02689	5.9
236.02315	4.0
238.03778	7.2
254.03259	4.1
256.04913	4.9
282.02731	31.5
422.08463	3.6
423.08417	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	422.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35211	0.6
53.23615	0.4
53.25649	0.5
56.96500	0.8
57.05369	0.5
59.50203	0.4
65.03867	0.6
71.74098	0.5
72.08064	38.1
78.75227	0.5
82.33676	0.5
91.05398	12.2
91.47895	0.6
103.05404	6.7
112.11170	3.0
112.23106	0.5
115.84332	0.5
116.98559	0.6
119.04887	35.1
121.06386	0.7
131.04883	71.0
132.05194	1.0
134.99583	0.5
135.63799	0.5
145.94279	0.7
147.04376	100.0
148.04755	1.0
176.10666	0.6
187.12268	5.3
188.10660	75.1
189.11041	1.1
202.09416	0.6
203.11856	0.7
204.08080	0.7
204.10158	2.8
205.13353	3.4
213.04268	0.8
218.11751	2.7
220.02789	0.9
228.50584	0.7
238.03873	0.6
258.19547	2.4
259.18005	8.1
259.39713	0.6
263.09036	1.4
274.18924	0.7
276.20648	19.7
292.20193	0.6
325.07382	0.6
338.07071	0.7
340.08569	3.8
358.09576	4.3
382.09311	4.1
400.10486	2.3
405.21698	2.5
422.24268	39.3
423.24396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06523	0.6
58.68982	0.4
72.08070	36.0
78.32349	0.4
83.32621	0.4
83.38558	0.4
84.08041	2.0
91.05408	8.8
103.05404	17.6
112.11195	5.0
114.23965	0.5
119.04899	27.6
119.05759	1.0
120.05242	0.5
129.13864	0.6
131.04895	54.7
132.05232	0.7
134.05937	0.4
147.04388	100.0
148.04729	1.8
150.29619	0.5
155.11794	0.5
164.37447	0.4
187.12230	0.7
188.10663	22.3
202.12270	4.1
203.11763	17.6
204.10168	28.0
205.13315	1.0
208.96574	0.5
258.19556	0.6
259.17966	5.6
274.19025	5.5
276.20670	8.7
292.20053	0.6
405.21609	2.5
422.24304	37.0
423.24649	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96506	51.7
65.46202	2.8
71.08567	3.2
72.08081	4.4
73.52051	4.2
82.78206	3.1
83.31117	2.9
96.72239	3.7
108.95119	3.1
148.02794	7.3
157.11121	3.3
159.58134	4.0
176.05977	3.7
211.90392	3.1
216.08875	5.0
231.64650	3.9
238.11165	6.9
252.12662	6.3
270.04233	4.2
270.13696	4.1
319.19397	6.1
332.22571	5.4
336.21411	3.9
346.20053	3.9
348.22070	21.2
350.23630	48.5
362.19186	6.4
362.23544	100.0
380.24048	4.0
422.25684	14.0
432.92154	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	422.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36963	1.0
53.03880	2.0
55.01804	9.3
55.05452	24.9
57.03373	21.9
57.07007	2.6
58.01571	1.3
63.46550	1.1
65.23356	1.1
67.05430	73.7
69.06980	27.5
69.89870	1.3
70.06483	1.4
71.04892	5.7
71.08543	7.4
73.45621	1.7
79.05409	42.8
81.03318	5.4
81.06979	100.0
83.04910	11.8
83.08541	27.1
84.08064	2.0
85.06488	1.4
85.10116	2.0
86.09660	2.1
91.05408	25.5
93.06978	68.1
95.04887	7.4
95.08528	30.0
97.06470	15.2
97.10089	2.8
99.08015	7.9
105.06976	15.2
107.04902	1.4
107.08541	30.3
109.06449	2.5
109.10115	9.4
110.69763	1.3
111.08018	16.1
113.09573	3.2
117.06976	11.3
119.08537	7.9
121.06512	2.2
121.10110	20.1
123.11678	3.3
131.08539	14.2
133.10106	16.5
135.11713	13.5
139.11214	2.6
145.02820	6.4
147.11639	2.9
149.13219	30.9
151.11185	5.1
159.11667	21.2
161.13226	3.5
165.12752	2.5
177.05437	3.2
177.12724	16.2
179.14288	7.8
195.13721	10.7
210.61215	1.7
229.14218	2.5
232.58951	1.4
251.16298	1.8
269.17410	99.4
270.17599	1.5
277.21594	13.8
295.22546	2.7
351.25238	18.0
369.26242	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	422.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	1.9
54.81295	1.6
55.01805	8.4
55.05455	37.3
57.03365	16.5
57.06992	3.2
59.04932	1.3
62.29002	1.4
62.29347	1.6
67.05426	100.0
69.03341	1.9
69.06695	1.7
69.06992	24.8
71.04898	3.5
71.08557	17.1
79.05401	38.6
81.03339	2.9
81.06975	88.3
83.04901	11.3
83.08539	26.8
85.06454	3.9
85.10102	2.3
89.03815	3.6
91.05403	36.4
92.10299	1.7
93.06969	58.7
95.04893	8.3
95.08524	34.2
97.06468	15.9
97.10099	11.4
99.08024	10.2
100.12848	1.6
105.06982	14.5
107.08539	32.5
109.02868	2.8
109.06483	1.9
109.10108	50.3
111.08028	16.2
117.03329	14.0
117.06961	10.5
119.08525	13.1
121.10123	15.4
123.11646	3.8
125.09585	8.8
127.32441	1.6
128.87485	2.0
129.06946	2.0
131.08519	7.6
133.10094	19.3
135.08032	2.8
135.11641	12.8
137.09567	2.8
141.70547	1.8
145.02818	22.8
145.10103	1.6
146.03099	2.0
147.04396	2.2
147.11638	8.6
149.05945	2.6
149.13199	25.1
151.11171	7.8
159.11653	16.6
161.13231	6.5
163.11090	3.3
165.12747	7.2
167.06990	7.6
172.05280	1.8
173.11720	24.4
177.05457	20.0
177.12701	17.5
179.14314	7.2
195.13821	12.4
227.12723	7.1
229.14322	46.2
259.20685	2.4
269.17410	87.5
277.21594	18.1
295.22739	6.3
351.25201	32.3
369.26245	13.0
380.22672	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	422.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56852	3.2
55.05442	7.2
57.03373	77.2
57.06739	3.5
57.07009	92.8
59.65433	2.9
67.05421	33.9
69.06993	28.9
70.06491	3.6
71.08545	62.0
72.36637	2.7
75.04388	59.0
79.05387	5.4
81.06971	39.1
83.04881	7.8
83.08517	20.8
85.10094	38.3
91.05404	3.8
92.10966	7.3
93.06967	7.3
95.08533	63.5
97.10099	4.7
105.06938	8.0
106.55419	3.3
107.08524	8.1
109.10120	29.9
114.17524	3.3
119.08511	5.9
121.10078	7.3
123.11610	5.0
131.06966	16.1
133.10071	6.5
135.11687	4.2
149.02295	5.1
149.13173	4.3
152.47769	3.1
167.06996	6.1
168.74519	3.7
239.23688	16.1
275.12381	3.5
313.27264	73.7
387.30942	100.0
388.30905	11.3
422.26108	14.7
422.36267	24.2
423.35907	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	423.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	23.8
70.06501	2.6
77.02579	2.0
80.11169	2.0
83.72086	1.7
84.95972	8.2
85.02808	2.1
98.97513	100.0
110.97571	3.2
116.98574	90.3
117.07034	2.6
117.09079	4.5
118.06514	11.8
128.98579	16.7
130.06508	21.9
131.00157	3.0
132.04434	2.6
132.08037	3.0
134.99628	55.6
139.34511	2.1
143.00175	2.4
144.08058	8.8
146.05995	58.8
146.99615	18.9
149.01241	3.2
153.00710	9.8
157.07571	20.0
158.05965	3.7
158.99605	23.6
161.01222	8.3
165.00713	3.7
167.95403	2.0
170.06036	2.1
170.99619	2.1
175.08705	2.9
177.00655	43.2
179.02278	3.2
188.07036	37.8
189.00684	7.0
191.05841	15.1
195.01695	6.1
197.04819	4.3
203.08157	14.0
205.09702	7.4
209.06987	3.5
215.05887	20.5
217.07526	2.3
219.01721	22.3
219.05331	8.0
219.07475	2.8
232.09908	2.8
233.06888	9.8
233.10699	4.1
237.02785	65.1
245.10648	9.7
255.03900	7.8
257.06921	3.7
257.10693	3.1
258.07867	3.4
259.12265	2.1
260.09320	2.1
260.67538	2.0
261.09854	2.1
269.10605	9.0
271.08557	29.7
272.09311	4.0
273.10135	16.9
279.03860	2.9
307.06894	2.8
317.08987	12.4
330.31134	2.0
335.10034	13.9
343.47552	2.3
345.08276	2.8
360.13315	4.5
363.09445	17.7
381.10654	46.7
388.12918	3.3
399.11780	3.1
406.13898	11.7
423.16135	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	423.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.7
54.08497	0.9
55.01807	1.4
55.05453	52.7
57.03374	26.4
57.07013	19.8
60.63911	1.0
63.42722	1.1
67.05429	36.3
69.06989	57.7
71.04913	4.8
71.08542	2.6
79.05407	14.9
81.06969	37.6
83.08543	35.1
85.10114	1.7
91.05405	5.2
93.06970	20.2
95.08532	32.0
97.06462	5.3
97.10090	12.0
105.06929	1.3
106.00238	1.2
107.08543	11.0
109.10101	9.1
111.08028	2.0
111.11668	1.8
112.99966	90.8
121.10091	17.1
123.11662	2.2
123.85548	1.2
125.09551	1.6
135.11650	9.3
135.58308	1.3
137.13223	1.9
139.11182	1.3
145.10217	1.4
149.13197	4.5
158.30576	1.3
163.14906	1.5
169.02585	33.3
187.03622	1.4
219.21039	1.6
237.21974	2.0
311.25739	100.0
312.26035	2.5
314.79129	1.2
336.77759	1.2
423.27081	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	423.26
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04961	0.8
56.96514	0.4
61.01083	0.5
69.06981	0.8
70.06507	100.0
71.06851	0.8
72.08064	1.0
84.04421	2.9
84.08061	4.7
85.02861	0.8
86.09622	18.0
92.10900	0.8
98.05984	10.3
98.97485	0.7
101.07104	0.5
104.05256	1.8
108.20624	0.4
108.32941	0.4
110.07123	0.7
116.07043	6.9
116.98547	0.6
126.05459	5.9
127.03926	0.6
129.10193	1.9
130.06514	0.7
134.99637	0.5
143.70262	0.5
144.08070	4.2
147.04433	0.9
156.07646	0.5
162.05455	0.9
167.15424	0.6
183.14867	6.6
195.11292	0.9
211.14368	7.2
213.12294	21.6
213.14308	0.7
223.20581	0.4
232.35732	0.4
237.02739	0.9
264.61456	0.5
308.19476	0.9
310.17499	8.1
321.36078	0.5
423.26074	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	424.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81936	0.8
55.05444	4.6
56.96503	42.3
59.19811	0.8
63.63166	0.9
64.15701	0.9
67.42457	0.8
71.95179	5.3
72.95956	1.5
74.97521	1.2
83.08524	3.7
84.95959	1.3
89.07918	0.9
92.10938	2.1
97.96741	1.3
98.97471	1.8
106.71461	1.0
110.97520	2.1
115.97758	1.8
116.72088	1.0
116.98568	4.1
118.69406	1.0
123.01101	1.0
128.98534	10.1
133.98834	1.9
134.99617	2.1
141.44000	1.0
146.99623	18.6
149.01134	1.1
155.03748	2.3
159.03328	1.6
161.01173	6.7
165.00661	5.7
171.03201	1.5
173.04877	1.7
175.06439	1.0
179.02263	2.1
185.04819	1.7
187.06374	1.3
189.04277	4.6
193.01704	1.3
195.06804	1.5
199.06389	5.4
203.05835	8.0
207.08815	1.7
211.02763	9.8
211.06413	3.9
211.96800	1.0
212.07224	1.5
213.07936	6.8
214.05107	3.9
215.05843	5.0
216.03046	1.6
217.07433	14.0
224.07123	1.2
225.04323	8.6
225.07951	6.8
229.03804	3.5
229.07411	13.8
230.08156	1.9
231.09050	12.4
232.06209	2.1
237.07870	2.2
239.05775	1.5
239.09506	4.8
240.06564	1.6
242.08272	1.1
243.05310	3.7
243.08992	10.4
245.10574	1.2
247.08463	18.8
251.09392	6.2
253.11099	5.1
255.09012	5.7
257.10553	4.4
258.11081	1.3
265.10876	7.0
268.09738	6.6
269.10522	19.8
271.12027	4.2
273.10025	6.0
283.12125	62.1
284.12424	2.0
286.10718	9.7
287.11642	11.8
293.10709	1.3
301.13141	30.7
317.17697	3.9
333.17221	20.4
335.18845	15.3
351.14313	2.0
351.18350	42.9
352.18405	3.7
353.19687	6.7
365.20010	5.2
369.19379	6.9
374.19705	1.6
383.20966	67.5
384.21201	3.9
401.22046	100.0
402.22360	5.9
424.23511	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	424.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09148	0.5
51.51602	0.6
55.05447	1.2
60.65105	0.6
62.98182	6.6
67.05433	2.5
69.06979	2.9
75.52558	0.5
79.05407	0.9
81.06973	3.1
83.04900	3.2
89.05951	12.2
91.05379	1.2
92.06593	0.6
93.06963	3.3
95.08514	1.4
105.06973	2.6
107.08508	1.1
109.10114	1.4
119.08538	1.6
121.10093	0.7
129.59694	0.6
133.08572	4.5
133.10168	0.7
135.11664	0.9
145.10120	1.5
149.00438	0.8
195.12166	0.8
199.55513	0.7
239.14812	7.1
424.27893	100.0
425.28156	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	424.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81844	0.6
55.01816	7.7
55.05459	6.0
56.04978	4.4
57.03375	0.9
57.07019	9.4
67.05433	14.6
67.19786	0.4
68.35080	0.4
69.06998	5.5
70.06512	7.7
71.04925	0.8
71.08544	5.3
79.05413	4.5
81.06981	13.4
83.08546	1.2
85.10107	2.7
85.54107	0.5
89.05959	9.5
91.05402	2.5
92.10867	0.9
93.06973	2.7
95.08538	9.9
97.02821	3.4
97.10123	0.7
98.05992	100.0
99.04403	3.0
105.06978	2.6
107.08527	2.1
109.10156	3.6
112.99979	3.6
116.07046	24.2
119.08533	0.9
121.10136	0.9
123.11622	1.0
127.73499	0.5
128.48370	0.5
133.08597	3.2
133.10077	0.9
135.11659	0.5
144.06548	61.0
161.13272	0.6
162.07587	22.5
169.02522	1.0
239.14850	4.4
245.22639	0.9
263.23682	2.2
313.27466	0.7
378.30032	0.9
388.25214	0.6
407.33505	4.2
429.99796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72448	0.7
55.05445	2.0
57.07008	12.3
67.05434	1.1
69.06960	1.6
86.09625	18.2
86.82793	1.1
91.05411	1.5
93.06967	1.7
96.14875	0.9
97.06464	0.9
105.06999	9.3
107.08521	1.3
119.08539	18.1
121.06468	4.8
121.10093	32.3
133.06482	1.7
133.09151	1.5
133.10088	20.3
142.07785	1.0
145.10147	1.4
147.11661	31.3
157.10051	1.8
160.08891	1.0
163.11124	1.5
175.11159	15.2
183.60368	1.0
189.08340	0.9
194.37000	1.0
218.71001	1.0
224.49651	0.9
283.16858	100.0
284.17200	2.0
284.86328	1.0
339.23093	41.1
402.85446	0.9
424.32007	5.3
432.01718	0.9
441.62747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63828	2.2
54.45476	1.9
54.51186	1.7
54.82128	1.9
55.05442	3.0
57.06993	4.5
57.14374	1.8
60.42065	2.2
67.05410	12.5
69.06990	21.1
73.34557	2.7
73.35031	2.2
79.05410	2.8
81.06969	52.6
82.07313	3.8
89.05949	53.5
93.06950	12.0
95.08511	14.3
96.91901	2.4
106.37992	2.4
107.08521	4.8
109.10101	5.7
119.08533	5.3
121.06480	5.1
121.10040	3.8
133.08565	20.7
135.11673	2.9
136.08780	12.4
137.09558	11.2
164.08276	20.0
165.09076	100.0
166.09399	5.6
191.10674	3.1
195.92921	2.8
203.10583	19.9
205.12172	5.3
206.68921	2.3
207.86569	2.7
239.14832	33.5
381.68240	2.6
424.33252	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	1.7
57.23897	1.1
61.71168	1.3
63.37505	1.2
67.57917	1.1
70.06482	1.7
72.08068	13.2
80.63468	1.4
89.03848	13.1
91.05383	1.8
92.10246	3.1
93.24074	1.9
105.03408	1.4
110.02410	2.0
115.27086	1.3
117.02560	2.3
117.03340	42.7
117.04162	1.8
119.04874	1.5
134.03613	1.8
135.04411	1.6
138.56288	1.4
144.16103	1.3
145.02826	100.0
146.03166	1.8
147.04404	2.6
149.05956	18.0
152.07056	1.9
161.05910	1.4
163.03859	1.7
169.09665	1.8
177.05435	92.3
187.03818	2.1
200.74147	1.5
309.07388	6.1
408.13797	1.8
425.16644	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	425.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74228	0.1
57.03367	0.2
57.05001	0.1
58.25954	0.1
69.03365	0.1
85.02840	0.2
98.97485	0.2
110.97645	0.1
116.98586	0.3
119.03503	0.6
128.98601	0.5
130.28949	0.1
134.99596	0.2
136.06165	100.0
137.04585	0.3
137.06516	0.8
146.99654	0.5
161.02931	0.5
173.02930	0.2
185.02956	0.2
210.02927	0.2
245.04980	0.2
268.10352	12.3
269.10724	0.2
366.07434	0.3
446.39182	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	425.2067
Annotation	Alstiphyllanine A
Peak:m/z	Relative Intensity
63.02297	0.3
65.03852	0.4
65.35387	0.2
69.06986	0.2
71.38225	0.2
78.04639	0.3
86.09630	5.2
89.03833	8.8
91.05403	8.0
92.63960	0.2
102.62865	0.2
103.05399	0.3
103.12295	2.8
106.04111	0.3
117.03322	36.7
119.04890	23.7
124.05173	0.2
124.92657	0.2
125.89886	0.2
134.03578	2.3
135.04417	2.7
145.02820	95.5
146.03148	1.2
147.04382	78.1
148.04778	1.0
149.05946	12.4
163.03865	1.2
170.03232	0.2
177.05428	100.0
178.05795	1.4
186.05452	1.0
211.69275	0.3
232.13275	0.6
249.15921	21.7
249.58331	0.3
262.14468	0.4
275.13879	1.3
279.16959	17.1
305.14920	0.9
425.15289	0.4
425.20566	8.8
425.25266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	14.9
56.33825	9.3
56.96500	24.9
64.33513	9.6
64.55801	9.7
67.05444	12.9
69.07016	11.0
78.05827	10.1
81.06961	16.3
95.08521	18.0
99.88071	10.0
112.99920	11.8
139.54167	11.4
203.05711	13.1
251.87885	11.2
384.21234	41.9
402.22296	18.3
425.13492	64.4
425.22974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	14.7
57.88641	7.6
57.98303	8.3
60.47738	8.1
61.03766	8.3
69.06992	8.9
70.92757	7.8
74.65520	9.0
79.05384	8.9
80.72451	9.1
81.06963	15.5
88.15168	8.8
91.05405	9.5
92.98685	8.3
112.99980	9.7
121.10061	11.3
121.99682	10.8
202.28056	8.9
229.07520	14.2
233.03024	9.9
247.08546	13.1
249.37730	9.2
277.21628	10.9
384.21326	20.5
425.22775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49220	1.6
52.33603	1.4
54.23042	1.8
54.81789	1.9
55.84584	1.7
56.96506	4.1
64.33544	1.9
70.70243	1.8
74.33466	1.8
75.28394	1.8
80.42641	2.0
89.00990	1.9
100.33687	2.1
103.81676	2.3
105.06954	2.4
112.11707	2.0
117.03348	2.8
145.02818	1.8
147.04407	3.4
159.86383	1.9
177.05524	3.1
326.91757	2.1
425.24976	100.0
425.70197	2.2
426.25272	3.5
430.61105	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	425.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	8.4
57.03371	17.6
57.07010	52.4
59.10872	0.5
59.36170	0.5
63.35768	0.6
67.05429	9.0
69.06983	6.8
71.08546	29.1
75.04385	0.7
81.06975	10.7
83.08553	7.6
85.10099	11.7
86.09604	0.6
89.05945	1.1
90.22407	0.6
91.40564	0.6
92.10337	0.8
93.06996	0.6
95.08534	14.4
95.94019	0.6
97.10081	4.9
99.11635	0.6
103.07558	0.8
109.10136	6.0
112.99958	100.0
123.11638	0.9
130.24318	0.5
157.04420	0.7
169.02567	51.5
187.02100	0.7
187.03607	1.4
200.04533	0.6
238.14105	0.6
239.23550	1.2
313.27301	63.5
387.92355	0.6
407.25232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	1.6
53.03876	3.0
55.01801	7.8
55.05449	24.2
56.30065	1.0
57.00867	1.2
57.03368	11.4
57.07010	29.6
64.21772	1.3
66.30185	1.1
67.05424	100.0
69.03338	7.7
69.06985	25.9
69.88824	1.1
71.01253	1.6
71.08545	18.3
73.02808	1.3
74.50025	1.2
75.27367	1.0
79.05407	26.0
81.03330	9.0
81.06970	89.7
83.08543	16.2
85.02798	2.5
85.10123	10.3
91.05396	20.4
93.06971	29.8
95.04881	1.3
95.08528	70.1
97.02819	49.7
97.06480	1.9
97.10092	6.0
99.04407	9.1
99.08041	1.5
105.06973	13.9
107.08532	12.7
109.02833	6.5
109.10099	20.5
112.99955	34.8
117.06971	1.4
119.08530	12.4
121.10062	10.1
122.06380	1.3
123.11651	9.1
127.03877	9.0
130.62323	1.1
131.08519	2.7
133.10057	9.4
135.11659	6.5
139.11226	1.8
145.10101	2.4
147.11650	2.6
149.13243	1.5
161.13202	2.2
163.14717	2.2
169.02542	16.9
175.14810	2.9
178.66533	1.4
201.84329	1.8
245.22597	2.3
263.23639	20.1
313.27307	37.3
331.26443	2.8
341.24814	2.1
359.25739	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	425.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	2.7
53.03886	7.3
55.01813	9.0
55.05455	42.1
57.03381	10.2
57.07016	9.5
65.03845	2.8
67.05430	100.0
69.03010	1.8
69.03354	33.3
69.06998	35.0
71.04912	7.5
71.08553	3.2
73.02808	6.5
79.05409	49.9
81.03341	52.3
81.06976	94.9
83.04913	9.7
83.08542	18.6
85.02823	11.8
85.06467	2.5
85.10111	1.8
86.30917	1.7
87.04409	2.5
91.05410	44.1
91.05949	2.5
93.06969	61.8
93.07521	3.4
95.04903	15.8
95.07964	3.0
95.08539	76.8
96.08870	1.9
97.02837	11.4
97.06487	7.6
97.10087	2.8
99.04395	6.9
105.06979	39.4
107.04904	12.5
107.08537	40.5
109.02876	2.2
109.06476	3.1
109.10104	23.5
111.04408	4.0
111.08026	2.1
117.06969	17.3
119.08554	28.8
121.06472	7.9
121.10089	21.9
123.04424	2.5
123.08042	7.5
123.11700	10.4
128.06160	2.4
129.05510	2.8
129.06950	13.5
131.08542	29.0
133.06541	1.9
133.10110	15.5
135.08064	2.5
135.11691	10.3
137.09651	2.9
143.08545	9.1
145.06534	2.0
145.10115	17.8
146.37138	1.8
147.11679	10.3
149.13263	6.7
155.08582	3.3
157.06502	1.9
157.10115	7.4
158.14603	2.0
159.11688	8.7
161.09653	2.5
161.13274	8.0
163.14810	6.1
169.10141	3.0
171.11658	6.2
173.13206	2.4
175.14833	9.1
177.12688	3.0
181.10104	2.2
183.11594	2.1
185.13235	2.2
187.14810	3.4
195.11549	1.9
201.16438	2.2
213.12708	2.1
257.81238	1.7
263.23621	2.9
275.23676	2.2
277.14294	1.7
279.23209	2.0
291.23141	2.3
293.24799	3.9
299.24207	1.9
303.23151	3.6
305.24677	5.9
321.24011	2.2
353.24625	3.8
361.27072	2.2
371.25720	21.3
389.26825	17.1
404.06042	2.0
407.27930	18.4
425.28577	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	425.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	1.6
53.03876	3.0
55.01801	7.8
55.05449	24.2
56.30065	1.0
57.00867	1.2
57.03368	11.4
57.07010	29.6
64.21772	1.3
66.30185	1.1
67.05424	100.0
69.03338	7.7
69.06985	25.9
69.88824	1.1
71.01253	1.6
71.08545	18.3
73.02808	1.3
74.50025	1.2
75.27367	1.0
79.05407	26.0
81.03330	9.0
81.06970	89.7
83.08543	16.2
85.02798	2.5
85.10123	10.3
91.05396	20.4
93.06971	29.8
95.04881	1.3
95.08528	70.1
97.02819	49.7
97.06480	1.9
97.10092	6.0
99.04407	9.1
99.08041	1.5
105.06973	13.9
107.08532	12.7
109.02833	6.5
109.10099	20.5
112.99955	34.8
117.06971	1.4
119.08530	12.4
121.10062	10.1
122.06380	1.3
123.11651	9.1
127.03877	9.0
130.62323	1.1
131.08519	2.7
133.10057	9.4
135.11659	6.5
139.11226	1.8
145.10101	2.4
147.11650	2.6
149.13243	1.5
161.13202	2.2
163.14717	2.2
169.02542	16.9
175.14810	2.9
178.66533	1.4
201.84329	1.8
245.22597	2.3
263.23639	20.1
313.27307	37.3
331.26443	2.8
341.24814	2.1
359.25739	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	425.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	14.0
55.05455	36.2
57.03369	7.6
57.07005	36.6
67.05433	96.8
69.03339	7.8
69.06986	50.6
71.04908	3.8
71.08533	16.9
73.02805	3.9
79.05406	30.7
81.03326	7.3
81.06509	5.0
81.06975	97.7
83.08542	27.0
85.02838	5.0
85.06450	5.6
89.05939	7.2
91.05399	15.6
93.06987	48.2
95.08529	100.0
97.02821	52.1
97.10107	5.9
99.04404	28.0
105.06960	20.4
107.08530	40.8
109.10118	47.1
112.99964	43.6
119.08525	31.9
121.10108	33.8
123.11640	19.8
127.03845	13.1
131.08574	3.8
133.08560	3.7
133.10065	15.8
135.11638	29.5
135.81215	3.7
147.11642	7.5
149.13264	8.9
159.11690	14.4
161.13213	8.4
163.14757	4.3
169.02559	24.8
189.16385	5.2
191.17960	13.6
203.17963	6.1
235.70207	3.8
251.52673	3.5
263.23761	15.4
313.27292	18.2
346.80820	3.4
425.37820	6.6
447.17035	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	7.6
55.01801	21.6
55.05455	33.8
57.03360	9.6
57.07004	23.9
60.63456	4.3
62.98155	4.7
67.05130	6.1
67.05434	100.0
69.03345	38.3
69.06998	30.1
71.04897	17.1
71.08563	13.7
73.02801	4.7
79.05410	32.3
81.03335	30.7
81.06977	88.8
83.08527	20.2
85.06432	4.6
85.10093	9.1
89.05927	7.4
91.05399	27.0
93.07002	35.8
95.08530	75.7
97.02822	60.0
97.06439	4.2
99.04375	36.3
105.06951	20.8
107.08524	17.6
109.02821	16.5
109.10099	21.6
112.99950	47.2
119.08527	8.1
121.10083	24.3
123.11639	10.1
127.03874	36.8
133.10083	7.4
135.11674	5.5
145.10176	4.6
147.11664	5.5
155.01222	4.2
169.02565	23.7
175.14688	5.3
217.68677	4.3
245.22604	5.3
263.23608	8.9
289.01022	4.6
313.27371	9.4
426.26123	5.0
446.70691	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	425.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.7
53.19748	0.6
55.01815	1.2
55.05455	8.8
57.07008	4.2
67.01796	1.1
67.05431	19.8
69.06994	22.8
72.94092	0.7
77.06470	0.8
78.70930	0.7
79.05408	15.8
81.06977	100.0
82.07323	1.2
83.04865	1.0
83.08529	3.9
89.05946	6.7
91.00508	0.8
91.05406	6.2
93.06969	24.7
95.04906	1.3
95.08530	42.8
97.10078	1.2
97.64988	1.0
98.20675	0.8
105.06985	8.5
106.08276	0.8
107.08540	14.8
109.06515	1.2
109.09398	1.4
109.10113	20.0
117.07029	1.1
119.08546	7.4
121.06506	1.4
121.10079	12.5
123.08022	0.9
123.11671	7.3
131.08495	1.8
133.08566	1.6
133.10129	3.4
135.07994	1.1
135.11664	6.2
137.05943	5.9
137.13228	5.3
139.07559	1.8
141.05420	3.4
145.10144	1.6
147.11668	4.8
149.06004	3.5
149.13261	8.5
151.07463	5.6
157.10188	1.0
159.11687	1.6
161.13232	1.6
163.07520	1.0
163.14877	1.4
165.05486	3.1
167.07013	34.2
167.08278	1.2
169.10027	1.0
175.07570	1.0
175.14728	1.2
177.08971	0.9
177.16275	1.2
178.06201	1.0
187.11121	0.8
189.09068	1.7
191.06990	1.3
205.08554	1.0
207.10179	4.3
217.12157	0.9
221.11618	1.0
239.14857	3.8
259.24026	0.8
275.16458	1.5
402.83945	0.8
425.30371	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	425.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81427	0.6
55.05444	1.1
57.07012	2.4
67.05426	3.8
69.03342	0.7
69.06968	5.9
72.08069	3.6
73.20785	0.8
77.39480	0.6
79.05417	1.5
81.06984	12.1
83.08546	2.7
86.09613	2.6
89.05952	5.7
91.05408	0.7
93.06973	6.3
95.08528	8.5
105.06982	3.5
107.08524	6.9
109.10089	7.1
118.08606	1.1
119.08535	4.5
121.10108	4.5
123.11663	1.4
126.83913	0.6
131.08551	0.7
133.08607	2.6
133.10089	3.3
135.11688	3.5
145.10124	0.9
147.11674	3.3
149.13249	3.0
159.11679	1.6
161.13216	1.1
171.11627	0.7
177.16391	1.2
198.40736	0.6
239.14838	1.6
276.74570	0.6
338.79767	0.8
407.03113	0.9
411.58969	0.7
425.32297	100.0
425.37375	5.4
426.32538	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	425.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.9
54.82123	1.5
55.05451	17.2
57.07001	8.1
65.16877	1.2
67.05422	25.9
69.03316	1.4
69.06653	2.4
69.06992	49.6
72.58099	1.4
79.05413	16.5
79.84451	1.3
80.65754	1.4
81.06976	100.0
83.08549	12.3
89.05952	6.6
91.05421	11.7
93.06980	43.3
95.04913	1.9
95.08530	60.5
97.10066	2.5
99.07994	3.1
101.43952	1.4
105.06985	35.2
107.08534	47.4
109.06454	2.2
109.10109	44.1
111.11668	2.2
117.06918	2.3
119.08540	30.4
121.10102	42.4
123.11663	16.8
127.11163	2.1
131.08516	8.8
133.08519	1.9
133.10094	24.4
135.11655	25.8
137.13203	9.1
143.08568	2.1
145.10097	13.6
147.11674	17.2
149.13197	17.5
157.10072	3.4
159.11649	15.5
161.13234	13.6
163.14771	6.0
167.06970	6.0
171.11707	3.1
173.13203	8.5
175.14842	11.0
177.16364	8.7
187.14861	3.7
189.16368	9.7
191.17891	2.3
201.16417	3.6
203.17909	9.6
213.16093	1.7
215.17953	2.5
217.19479	6.7
239.14748	2.2
257.22513	1.7
271.24057	1.8
405.43811	1.9
407.36517	7.8
425.37900	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81640	5.8
55.05447	18.4
57.07016	3.9
67.05430	31.1
69.06982	53.1
71.04939	4.1
79.05390	10.8
81.06976	100.0
83.08541	17.0
89.05956	35.4
90.21819	4.3
91.05403	19.9
93.06968	78.6
95.08527	71.7
97.10107	10.5
105.06976	35.5
107.08537	72.0
109.10110	49.4
119.08546	34.6
121.10090	48.4
123.11660	19.9
129.13556	4.8
133.08597	9.7
133.10075	18.1
135.11644	32.5
143.08620	4.5
145.10054	9.8
147.11633	44.5
149.13242	10.4
149.50978	4.5
159.11653	17.3
161.13254	8.7
173.69121	4.4
175.14789	5.1
187.14751	6.5
193.59097	4.8
195.15140	5.3
203.17917	6.8
239.14960	17.5
240.15190	8.9
325.28857	20.3
343.29868	6.6
425.37750	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	425.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67267	2.4
54.82176	3.2
66.62535	2.7
67.05418	5.8
69.06976	12.7
81.06973	36.4
83.08559	3.6
86.09624	100.0
89.05955	13.3
93.06989	4.3
95.08543	16.1
107.08480	4.7
109.10089	4.2
115.23161	2.8
133.08588	3.5
139.07449	2.8
158.61067	2.8
167.07025	6.5
172.56914	2.9
181.95952	2.8
208.29320	3.0
240.15201	4.2
255.39606	3.0
275.94080	3.5
290.69550	2.9
329.23834	3.0
332.09152	3.3
352.35654	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	426.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.9
54.81635	0.2
55.01817	0.2
55.05442	0.9
57.03360	0.3
66.62576	0.1
67.05401	0.3
69.03342	2.4
69.06985	0.3
70.06503	0.2
71.04885	0.6
71.08562	0.1
73.06467	2.4
79.05405	0.3
81.03331	5.1
83.04889	0.2
83.08542	0.2
83.77832	0.1
83.80807	0.1
85.02820	2.5
86.09600	0.2
87.03821	0.1
87.11026	0.1
88.82705	0.2
91.05402	1.1
93.06944	0.2
95.04865	0.3
97.02813	2.2
99.04388	1.2
101.05949	2.8
105.06950	0.4
107.04888	0.7
109.02818	4.0
111.08023	0.3
117.03355	0.2
118.06500	0.6
119.05028	0.2
121.06385	0.2
124.03925	0.2
127.03864	3.7
128.04886	2.0
132.04413	2.3
133.06396	0.2
133.10112	0.3
145.02690	0.5
145.04955	0.2
146.05977	100.0
147.04385	0.3
147.06316	1.0
162.05463	0.2
169.12250	0.2
174.05460	9.6
177.05360	0.3
177.08035	0.1
181.08559	0.3
182.15388	0.2
186.61143	0.2
192.06505	7.3
211.13202	0.3
228.10971	0.2
229.14293	0.3
234.31409	0.2
245.11687	0.6
246.07500	0.2
246.12059	0.2
291.10986	0.2
300.08569	0.6
304.95496	0.2
306.03018	0.2
318.09659	1.9
336.10745	0.8
390.15463	1.1
431.90375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	3.1
57.03366	5.6
57.07019	34.5
62.06031	18.9
66.01618	2.5
67.05418	6.1
69.06981	10.5
71.08561	22.2
80.11783	2.4
81.06976	13.4
85.10104	11.7
93.06944	2.9
95.08557	17.2
97.10093	2.3
98.98400	12.5
109.10072	4.1
114.00858	2.4
118.56338	2.5
119.08486	2.4
195.71040	2.5
244.24702	2.4
254.24837	19.2
285.24191	100.0
286.24561	3.0
365.20657	3.0
408.25070	4.7
424.74179	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	426.3001
Annotation	Veralodine
Peak:m/z	Relative Intensity
55.05462	1.1
56.96556	0.1
57.06989	0.3
57.13690	0.1
57.99384	0.1
62.05994	0.1
62.32646	0.1
65.03860	0.1
67.05133	0.2
67.05431	3.5
69.06978	0.9
79.05407	3.7
81.06979	3.1
83.08512	0.2
91.05415	2.5
92.10950	0.3
93.06974	5.6
95.04917	0.6
95.08539	2.2
97.06509	0.2
103.05404	5.8
105.06960	1.6
107.04913	1.7
107.08550	1.4
109.10123	0.5
117.07004	0.3
119.08530	0.6
120.08059	100.0
121.08405	1.4
121.10099	1.1
123.11646	0.2
131.04881	2.3
131.08519	1.0
133.10098	0.6
135.11652	0.6
141.06949	0.1
145.10081	0.3
147.11717	0.2
149.05913	1.0
149.13202	0.3
159.11684	0.2
166.08600	17.6
167.09030	0.2
187.14777	0.2
243.21196	0.2
248.49683	0.2
261.22061	0.7
303.14294	0.1
316.07065	0.2
321.79178	0.1
346.47070	0.1
380.29160	0.2
426.30920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38773	0.3
55.05455	0.3
57.07004	0.3
57.68255	0.3
59.92434	0.3
66.83241	0.3
67.05421	0.8
69.06968	2.3
75.97396	0.3
79.05424	0.3
81.06572	0.3
81.06966	3.0
91.05401	1.9
93.06963	1.4
95.04887	0.5
95.08511	1.8
101.91869	0.3
105.06978	0.6
107.08539	0.4
109.10104	1.3
119.08563	0.4
121.06482	2.9
121.10122	0.4
123.57069	0.3
124.05132	0.4
133.10045	0.4
137.05948	1.3
138.06735	0.4
139.07527	4.7
147.62526	0.4
151.07501	1.7
165.05443	3.5
166.06232	7.3
167.06969	1.9
175.11081	0.4
177.09117	0.5
189.09061	8.4
190.06168	1.3
205.08565	100.0
206.08925	3.4
217.08633	0.6
229.12076	0.4
296.78253	0.3
296.81628	0.3
332.28058	0.4
408.05109	0.4
411.28680	0.6
452.52802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	1.8
55.05455	24.6
56.96505	5.3
57.07008	6.0
59.63853	1.1
64.33360	1.2
67.05431	18.6
68.56773	1.2
69.06992	28.8
70.06503	6.5
73.06451	2.1
76.75059	1.2
79.05418	14.6
80.04948	2.2
81.06975	19.5
82.06513	1.6
83.04908	5.6
83.08543	11.0
84.08086	3.0
85.08826	1.4
86.09634	32.8
91.05404	7.4
93.06963	15.1
94.06506	2.2
95.08524	11.4
96.08070	2.3
97.06483	3.3
97.10091	9.6
98.09608	2.0
104.99229	2.2
105.06974	6.6
107.08560	11.8
108.08083	1.9
109.10109	10.8
119.08540	6.7
121.10108	3.0
121.61401	1.2
123.11636	2.3
124.11201	1.8
125.09602	5.0
132.10181	2.6
133.10072	2.8
134.99532	1.6
138.12831	1.8
140.10669	2.0
146.99677	1.7
147.11703	1.8
150.12805	2.0
151.11177	1.8
152.14310	5.4
164.14328	2.3
177.05473	1.7
184.13292	2.1
186.11169	1.6
187.37514	1.6
194.11758	19.1
199.06407	1.7
212.12778	2.5
217.07466	2.8
229.07489	7.5
231.10858	3.3
240.19650	2.0
247.08444	10.0
250.17979	11.8
268.19006	8.7
269.19638	2.2
270.20590	8.7
271.08548	1.8
274.21344	2.1
277.21664	2.3
279.14673	1.5
294.24268	7.3
323.18942	2.4
335.20877	1.9
347.27414	1.3
362.30557	14.1
368.83438	1.6
380.31546	58.0
381.31851	2.8
385.18420	1.9
408.30966	8.1
426.32059	100.0
427.32520	7.7
440.83157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	4.1
56.96496	36.3
57.03364	3.8
60.04461	3.1
63.95891	2.7
69.03329	13.2
69.47311	3.2
70.06514	26.1
71.04937	2.7
72.08047	12.2
74.06010	3.9
81.06993	3.7
84.04408	15.9
84.08040	4.9
85.02816	19.3
86.09620	4.2
90.30754	3.1
91.05392	12.8
93.06963	5.2
93.40895	3.4
97.02813	13.9
98.97504	96.9
99.05466	3.0
109.02791	3.8
110.07088	11.3
110.97561	3.0
116.98579	100.0
127.03819	5.2
128.98532	13.9
129.10185	5.1
131.00154	3.8
134.99617	53.2
145.02765	4.6
146.06024	6.2
146.99631	14.9
147.04361	6.6
150.07726	3.7
151.03836	4.7
152.24368	3.2
153.00682	5.6
158.99606	24.7
161.01216	6.4
175.03787	5.2
177.00648	47.5
177.02196	19.9
177.05472	5.6
189.00664	4.3
195.01715	4.5
195.03290	35.5
198.49561	3.4
203.03812	15.1
207.03134	3.6
207.06488	5.0
213.17569	3.0
219.01678	18.7
221.04770	23.2
223.02773	5.1
237.02722	50.1
241.03751	13.2
255.03734	4.5
265.03735	19.7
307.04688	4.2
349.05722	4.0
367.06931	31.9
385.08026	34.1
408.09143	4.2
453.24454	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	427.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.1
57.03369	0.2
57.04478	0.6
61.47437	0.1
67.07673	0.1
70.06498	0.8
70.87474	0.1
72.08067	0.4
74.09586	0.1
84.08055	0.2
85.02826	0.2
86.91314	0.1
90.05482	1.3
94.03986	1.5
97.02796	0.2
97.88235	0.1
110.31570	0.1
112.05013	0.3
119.04859	0.2
119.08507	0.2
123.06618	0.9
130.06500	0.8
133.05086	0.2
147.04320	0.2
150.07727	100.0
151.08083	0.7
177.05339	0.2
295.11441	12.7
336.82394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70716	0.6
56.44404	0.6
75.09125	0.8
78.04634	1.0
89.03832	8.9
91.05411	1.5
100.11152	0.8
117.03333	34.1
119.04896	3.7
121.06434	1.1
130.06511	1.2
134.03619	1.7
135.04381	3.2
145.02829	84.8
146.03168	0.9
147.04401	8.8
148.04761	1.2
149.05995	10.4
177.05435	100.0
178.05818	1.6
185.42166	0.8
186.05406	0.9
209.02538	0.7
226.98466	0.8
233.12816	1.4
234.11156	14.0
235.11426	0.7
251.13824	14.3
302.40942	0.8
427.18536	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	427.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90696	0.4
52.02735	0.4
52.24413	0.4
52.88231	0.4
55.01805	1.1
55.05455	3.8
64.62674	0.4
69.03336	1.9
70.06187	0.4
70.06502	4.2
72.07668	0.8
72.08069	23.6
72.26241	0.4
74.93955	0.4
79.05396	0.7
81.03344	0.7
83.01260	0.6
84.04423	1.9
84.08072	1.0
85.02828	2.9
86.09624	2.2
91.05386	1.9
92.10239	1.1
97.02851	0.5
97.37244	0.5
98.05984	4.7
98.97459	0.6
102.80563	0.5
103.05360	0.6
105.06962	3.3
107.04887	5.2
112.03902	0.5
115.05391	1.8
115.08652	0.6
117.06952	2.1
119.04941	0.7
120.08060	6.5
121.02825	2.8
128.03407	0.8
129.10187	0.9
130.04898	0.7
131.04884	11.7
131.08595	0.6
132.08028	0.8
133.06450	16.1
133.10005	0.5
137.05965	1.9
141.06940	1.8
143.04912	0.7
145.02798	1.2
145.06447	5.3
146.05968	1.1
147.04369	2.3
151.03917	1.1
159.04396	7.1
160.05162	1.8
160.07561	4.8
161.05911	5.9
161.07913	0.7
163.07533	1.1
166.08478	1.6
168.05670	11.3
169.06451	10.9
170.05905	1.2
171.04405	2.8
175.07494	1.1
175.11127	0.8
177.05434	3.1
177.74873	0.5
182.08101	2.3
186.06834	0.8
187.03830	3.4
188.07030	9.0
189.05441	4.8
189.06978	0.5
191.06937	0.6
192.06686	0.5
196.05164	11.5
197.05919	13.1
197.07556	0.9
198.06796	0.6
199.10741	0.6
201.05362	6.9
205.06412	3.7
207.08000	1.9
213.05476	0.6
214.06300	6.1
215.03342	10.9
216.06483	7.4
217.04878	0.7
218.08112	0.8
229.08551	100.0
230.08932	2.8
233.05936	2.0
234.07170	0.7
235.07486	2.0
237.02870	0.5
237.09006	0.7
244.05988	2.0
245.04393	3.2
248.12715	0.6
250.06219	2.1
252.07724	0.7
256.06049	1.0
258.11154	7.7
267.10129	2.1
275.13739	0.6
278.05634	0.9
279.10217	0.8
282.02966	0.7
286.10706	5.7
288.12198	1.9
293.08011	12.6
303.13312	8.5
316.11520	1.8
333.14398	1.9
392.14825	5.3
409.17422	7.4
410.15976	0.7
427.12915	1.0
427.18518	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	427.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	9.8
69.03335	1.9
70.06507	69.8
71.06831	1.2
72.08066	40.7
77.49431	1.0
77.75166	1.0
79.05424	1.2
84.04443	1.4
85.02825	2.2
86.09623	17.4
91.05373	2.5
93.50001	1.3
98.05968	12.9
103.05397	1.2
105.06945	2.7
107.04884	15.1
115.05410	6.8
115.08680	1.3
115.53811	1.3
117.06953	2.3
121.02782	6.9
128.03409	1.8
131.04875	13.8
133.06453	16.1
133.10040	1.7
137.05939	7.0
143.04889	4.9
145.06480	8.8
146.05977	7.8
147.04341	2.9
147.06271	2.5
151.03851	2.0
153.71138	1.5
158.05904	1.4
159.04370	6.4
160.05199	8.9
160.07596	10.7
161.05931	10.3
168.05656	8.2
169.06471	9.6
170.06010	1.3
171.04340	3.0
175.03938	2.0
175.07506	12.1
177.05460	1.8
181.04865	1.5
183.15031	1.8
186.05386	2.8
187.03877	3.0
188.07043	20.9
189.05391	7.5
196.05135	14.8
197.05931	13.0
199.10869	1.4
201.05420	7.8
205.06465	1.3
207.08022	11.2
214.04944	7.3
214.06554	2.3
215.03352	9.2
215.05615	1.9
215.13811	2.7
216.06493	11.8
229.08551	100.0
230.08923	2.3
233.05940	2.0
234.06636	1.4
235.07468	8.2
236.08083	1.5
237.09090	2.3
246.07497	2.8
246.36147	1.3
250.06142	2.8
252.07782	7.6
254.09314	7.2
254.12120	1.6
258.11176	10.0
267.10031	15.5
269.11667	6.7
275.01974	1.3
275.14056	1.9
286.10666	7.3
288.12271	2.6
293.08060	16.1
303.13248	6.7
305.14639	1.6
322.10306	1.4
392.14755	11.1
409.17435	17.9
427.18546	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	427.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91257	0.4
63.78984	0.4
65.37183	0.4
67.05833	0.3
72.08071	9.4
89.03838	11.0
89.10713	5.8
90.80663	0.5
91.05384	0.5
95.04870	0.5
103.05415	0.4
107.04898	1.9
117.03331	36.4
118.03661	0.9
119.04907	1.7
119.20843	0.4
134.03584	2.1
135.04381	15.2
145.02826	97.2
146.03151	2.6
147.04475	1.3
149.05957	13.2
163.03873	41.9
164.04239	0.7
177.05440	100.0
178.05768	3.5
186.05415	0.8
218.18256	0.5
228.73219	0.5
234.11131	3.9
248.12756	2.2
251.13881	9.8
255.33368	0.4
265.15417	26.3
266.15823	0.7
277.11841	0.8
291.13388	0.5
427.18570	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	427.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35728	0.2
59.09969	0.2
67.16239	0.2
69.03343	0.4
72.08078	2.3
85.02782	0.2
89.03367	0.3
89.03841	5.0
89.10692	0.4
91.05382	0.3
92.10246	0.3
98.05985	0.6
104.26394	0.2
107.20252	0.3
111.90518	0.3
115.08656	0.3
117.03328	23.1
118.06469	0.6
122.85345	0.3
134.03604	1.7
135.04362	2.0
135.56609	0.3
136.06100	0.4
144.08018	0.4
145.02823	80.4
146.03143	1.1
146.05956	2.1
147.04393	0.3
149.05956	9.8
158.06071	0.3
163.03873	0.6
177.05434	100.0
178.05795	1.8
186.05437	0.4
188.07043	2.3
248.12773	3.8
262.90903	0.3
265.15491	4.6
321.09552	0.4
410.17978	0.4
427.20703	13.6
428.21289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01517	0.3
53.49118	0.3
54.81783	0.3
55.05437	0.3
56.94851	0.3
69.03349	0.8
70.06503	2.1
71.04890	0.3
72.08067	8.9
72.27238	0.4
79.05410	0.5
84.04433	0.5
84.08063	2.2
84.73783	0.3
85.02807	1.6
86.09631	0.4
89.03838	3.7
89.85085	0.3
91.05408	0.3
97.02827	0.5
98.05933	0.4
110.07125	0.6
114.09124	0.4
117.03320	19.9
119.04928	0.3
129.10176	0.3
134.03569	0.5
135.04388	1.6
140.85704	0.3
145.02820	71.7
146.03091	0.4
146.06067	0.3
149.05952	8.1
150.09116	4.9
151.03993	0.4
154.08618	0.8
162.05432	2.5
163.03900	0.8
167.11755	3.4
169.07552	0.3
177.05431	100.0
178.05743	1.9
180.10197	0.7
186.05510	0.5
197.12852	0.5
198.11227	1.7
216.12343	0.6
246.11195	1.2
248.12724	2.6
255.48430	0.3
265.15341	1.5
343.16431	16.0
373.17383	3.8
391.18579	1.8
409.19464	4.4
427.20578	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	427.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74712	0.5
60.87392	0.6
60.92575	0.5
65.31261	0.6
69.06958	0.7
69.84654	0.6
70.06139	1.2
70.06507	26.2
91.05437	0.7
116.07039	21.4
196.22014	0.7
274.08429	0.7
418.37241	0.8
427.26581	100.0
428.27017	4.3
428.55106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81487	0.8
56.96499	3.0
58.27821	0.6
64.36887	0.5
65.28765	0.5
81.06959	0.7
92.10896	0.7
116.98535	0.7
129.43100	0.5
130.78920	0.5
145.02850	0.9
147.04430	0.6
147.22995	0.6
157.91919	0.5
177.05504	0.9
279.12772	3.2
291.44025	0.6
297.13754	6.3
305.50586	0.6
321.80231	0.6
349.16788	1.1
367.17978	2.8
385.18951	1.1
418.21082	0.5
427.26566	100.0
428.26889	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66694	0.4
56.96497	0.8
57.99244	0.5
59.21942	0.5
59.35863	0.5
60.11902	0.4
60.59383	0.4
77.41678	0.5
84.25591	0.5
85.43983	0.5
91.05401	1.3
109.02843	1.2
117.03285	0.6
119.04885	1.1
130.57767	0.6
130.67261	0.6
145.02795	1.3
147.04372	5.4
161.02939	0.6
177.05521	2.4
186.68491	0.5
229.07132	0.5
357.20450	0.6
385.18958	1.0
427.26559	100.0
428.26932	2.7
451.06372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3031
Annotation	Leupeptin
Peak:m/z	Relative Intensity
54.81981	0.6
59.06054	3.9
60.05564	4.5
67.05438	0.6
81.06989	1.0
87.84187	0.6
94.35453	0.7
95.08526	1.3
105.07016	0.8
151.07558	1.0
191.38310	0.8
281.67468	0.8
427.30206	100.0
428.30612	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	427.3029
Annotation	Leupeptin
Peak:m/z	Relative Intensity
51.60721	1.4
62.81505	1.5
62.98188	12.4
67.05415	2.0
69.06975	3.2
71.27192	1.9
75.21783	1.7
81.06985	3.3
89.45836	1.6
93.06980	3.0
120.08073	3.8
137.99815	1.5
151.07475	1.8
158.97701	1.9
246.22707	2.0
375.09375	2.1
384.24783	2.4
386.26349	22.6
415.39639	2.1
427.30212	100.0
428.31107	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	427.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.6
55.01804	2.2
55.05455	21.5
57.03364	1.8
57.07018	7.6
67.05424	29.5
69.03330	5.0
69.06608	1.1
69.06987	32.8
71.01296	0.9
71.04900	2.2
71.08541	1.4
79.05417	13.9
81.03343	8.5
81.06505	1.7
81.06970	32.1
83.04892	1.3
83.08550	21.3
85.57493	1.0
91.05389	6.1
93.06975	16.9
95.04906	1.1
95.08530	36.0
97.02821	35.1
97.06499	1.1
97.10099	9.6
99.04391	7.5
105.06984	4.9
107.08553	12.4
109.02814	3.9
109.10114	13.2
111.04393	1.6
111.08013	1.5
111.11658	4.1
119.08517	2.5
121.10114	16.1
123.08026	11.4
123.11720	3.4
127.03904	7.2
133.10136	4.0
135.08049	2.1
135.11662	15.2
137.13239	1.0
145.10098	1.5
147.11668	1.9
149.13222	5.8
151.07523	100.0
151.14780	1.1
152.07837	1.3
153.12700	1.5
159.11598	1.4
163.11113	1.4
163.14790	1.6
176.08264	1.3
177.07617	1.2
177.09065	4.1
190.09967	1.3
191.10622	20.6
193.16560	1.1
203.10570	1.7
205.12238	10.5
231.13622	1.2
247.24162	4.2
265.25250	21.9
339.94101	1.0
361.27274	8.9
363.94492	1.1
409.30627	1.7
427.31091	1.7
436.97592	1.2
448.63458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3569
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05452	88.9
57.07007	11.3
60.72839	4.9
64.33408	6.3
67.05437	7.3
69.06983	53.7
71.08549	10.1
81.06957	22.9
83.08540	100.0
83.43533	4.5
92.10245	10.7
97.10117	10.5
105.59876	5.8
113.49223	4.7
119.08581	6.3
145.99371	4.9
332.03830	5.2
427.35501	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3566
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05457	39.5
63.33237	4.2
67.05424	27.9
69.06986	41.7
77.46255	4.3
79.05398	10.3
81.06984	43.3
83.04854	5.7
83.08528	22.1
83.48385	4.9
84.38593	4.2
91.05397	34.3
93.06959	20.4
95.08540	74.8
97.06437	9.6
98.81594	5.0
105.06963	28.6
107.08518	19.1
109.10085	54.8
111.08020	22.8
117.06974	6.0
119.08540	53.7
121.10080	24.5
123.11667	19.7
131.08507	11.8
133.10065	28.6
135.11662	6.6
137.09572	7.4
143.08577	6.3
145.10083	21.4
147.11671	19.4
149.09613	10.9
155.08557	7.7
159.11630	11.1
163.11206	5.0
169.10155	6.4
171.11653	7.1
173.13210	5.4
177.48296	5.6
183.11627	6.8
185.13152	7.1
199.14784	6.3
301.25311	5.9
391.33435	9.3
409.34595	100.0
427.35278	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	428.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.7
53.03883	1.4
53.12499	0.8
54.81815	0.7
55.01812	1.7
55.05447	0.9
57.03371	6.8
58.40993	0.7
59.06047	5.1
61.02859	9.8
67.05437	1.0
67.48817	0.8
69.03004	1.4
69.03349	22.6
69.06995	7.6
70.06506	3.3
71.04893	1.2
73.02828	2.0
74.02372	1.1
79.05405	1.0
81.03326	9.7
81.06974	4.4
83.44710	0.8
83.90112	0.9
84.04413	1.3
85.02827	100.0
86.03141	0.7
86.06007	0.9
87.04390	1.4
88.03930	0.9
90.05478	1.6
91.03864	3.4
91.05402	1.0
91.89182	0.9
93.06982	2.0
95.04899	1.9
97.02818	22.8
97.06463	1.0
99.04369	4.3
103.03855	1.1
104.10680	1.7
104.90157	0.7
109.02810	7.8
110.07069	1.0
111.08032	1.5
115.03877	0.9
124.03899	1.1
127.03879	20.9
130.06474	5.2
131.08560	1.2
136.06013	0.9
145.02852	0.9
145.04930	31.0
162.05478	4.8
162.42871	0.8
163.03877	5.5
163.05949	10.2
177.00742	0.9
195.10014	1.0
213.11192	1.2
249.13191	1.6
265.14160	1.0
275.68222	0.9
347.07263	0.9
382.78131	1.0
428.18893	5.7
434.35687	1.0
441.30176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	0.5
56.04971	0.7
57.07011	10.5
61.20081	0.3
67.05416	0.5
69.06988	0.9
71.99025	0.4
72.04431	47.9
72.99799	2.3
79.05392	0.5
81.06969	0.7
81.70695	0.3
83.08548	0.5
86.09630	0.7
87.47907	0.3
88.02141	100.0
90.08192	0.3
91.04854	0.4
91.05414	2.2
93.06971	2.1
95.08543	0.8
97.06450	0.6
97.10125	0.5
99.24487	0.3
105.06980	2.7
106.63972	0.4
107.08550	0.5
109.10117	0.8
112.63165	0.4
117.07020	0.5
119.08533	6.1
120.08072	0.7
121.06442	3.8
129.06978	0.4
133.10109	1.9
135.08017	1.5
137.04202	1.7
137.09584	6.3
149.09602	0.6
149.13235	0.8
161.09604	2.5
165.09053	0.5
177.12698	13.5
180.08440	0.9
183.56139	0.4
187.56131	0.4
192.10229	0.4
196.07841	4.0
208.07857	2.7
211.11197	0.5
234.70609	0.4
252.14153	2.4
264.14108	6.4
287.19974	5.1
288.20352	2.4
316.13577	7.6
372.19855	15.4
427.35730	0.5
428.26089	6.6
428.36273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60587	0.3
55.05456	2.7
59.75101	0.3
67.05424	1.6
67.59180	0.3
68.04941	0.5
69.06986	0.7
70.06507	100.0
71.06831	0.4
72.08069	3.0
73.45862	0.4
79.05403	1.8
81.06989	2.3
83.08539	1.6
91.05423	0.7
92.10337	0.4
93.06982	1.4
95.08530	1.7
97.10131	1.4
105.06977	0.8
107.08527	0.8
109.10105	0.8
116.07036	54.6
119.08516	0.5
121.10030	0.3
125.09637	1.4
147.04422	1.4
151.11221	0.3
154.64499	0.3
182.15382	0.6
189.05998	0.4
189.11205	1.6
189.12787	0.5
207.06497	0.4
222.37851	0.3
245.83051	0.4
277.21570	3.0
295.22714	0.6
392.28009	0.8
410.28897	6.7
428.30026	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29653	0.2
51.24288	0.2
55.01807	0.2
55.05457	1.2
56.96504	0.3
57.21889	0.2
63.72712	0.3
66.34563	0.3
67.05431	1.0
68.36520	0.2
70.06509	100.0
71.06853	0.6
71.08540	0.3
72.08045	1.1
75.13742	0.2
81.06964	1.2
82.69624	0.3
83.08535	0.5
95.08533	0.3
97.10126	0.5
99.08013	0.3
103.33464	0.3
107.08515	0.4
116.07039	92.8
117.07400	0.4
119.08582	0.4
125.09589	0.4
145.02861	0.5
164.47385	0.3
177.05458	0.6
189.11122	0.5
259.90103	0.3
277.21576	0.4
332.75049	0.3
389.93918	0.4
410.28842	2.3
427.26755	2.9
428.26764	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	428.3154
Annotation	11-Deoxo-6-oxo-5alpha,6-dihydrojervine
Peak:m/z	Relative Intensity
54.82246	0.3
55.05441	0.7
57.06996	0.5
60.28690	0.3
60.78354	0.3
67.05427	5.2
69.06983	1.3
71.08529	0.3
79.05412	2.6
81.06973	5.0
83.08544	0.6
86.09634	0.6
91.05400	1.9
92.67891	0.3
93.06983	2.5
95.04882	0.4
95.08529	3.6
97.10078	0.4
98.05972	0.4
103.05398	5.7
105.06963	0.4
107.04887	1.8
107.08531	0.5
107.48840	0.3
109.10104	0.7
112.26513	0.3
114.76754	0.3
116.67815	0.3
120.08055	100.0
121.08389	1.9
121.10066	0.4
129.18918	0.3
131.04880	2.8
149.05919	0.8
150.10150	0.4
151.07532	1.4
166.08601	17.9
169.40590	0.3
428.32449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22560	0.3
52.55747	0.3
70.06516	3.0
76.05222	0.4
77.02056	0.4
85.48705	0.4
86.09612	0.5
91.05379	0.4
94.04095	0.6
116.07027	3.2
117.16647	0.4
122.03599	2.6
122.43207	0.4
123.05515	1.6
137.05945	28.0
142.60625	0.4
149.02298	5.9
158.40041	0.4
181.03433	0.5
184.05257	0.4
193.04916	5.3
195.05025	0.9
199.04527	0.5
199.07433	0.7
219.05067	2.0
222.03770	0.8
237.05855	5.4
259.09592	2.5
341.06412	0.8
346.18155	0.4
359.07748	0.6
372.65659	0.4
385.09137	2.0
388.19562	2.0
406.20511	2.7
428.33356	100.0
429.11707	3.9
429.33655	7.2
451.26370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70545	0.3
53.03915	0.3
53.11263	0.2
63.02288	0.6
65.86437	0.3
69.03351	1.6
72.08071	0.7
73.06470	0.4
75.15773	0.3
81.03349	2.8
85.02847	2.3
89.03841	9.4
91.05409	0.5
92.10259	0.5
95.04961	0.3
97.02872	0.4
103.05413	0.4
109.02843	0.6
117.03333	31.2
119.04828	0.3
124.05146	0.6
131.04909	0.4
131.49113	0.3
134.03589	2.5
135.04402	3.5
145.02834	81.6
146.03149	1.2
147.04411	0.3
149.05962	13.7
162.03069	0.3
163.03871	1.8
174.74039	0.3
177.05443	100.0
178.05789	1.4
181.81525	0.4
186.05482	0.7
195.06502	1.4
304.82623	0.3
321.09650	1.7
339.10687	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	429.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	8.8
55.47142	1.0
56.96505	45.2
67.05434	1.6
70.06498	6.2
71.95169	1.8
72.95958	1.4
74.08205	0.8
74.97501	1.0
83.08517	5.5
83.08956	0.9
84.95932	0.9
91.07612	0.7
95.14552	0.8
109.10111	0.9
110.97511	0.9
116.07072	3.2
123.01096	1.5
128.98563	2.2
137.02704	1.6
145.02831	3.9
146.99644	4.2
149.02328	10.2
155.03749	1.1
157.01573	0.8
159.03250	1.7
171.03244	1.6
173.04851	3.7
177.05484	1.2
185.04871	1.7
189.04237	1.9
189.07951	1.4
191.03873	0.9
191.05867	1.4
193.05005	6.7
199.06302	6.1
203.05879	4.9
205.07396	1.3
211.06340	1.5
213.07967	18.5
217.07452	13.2
223.08249	1.2
225.07924	9.1
227.09436	1.2
229.07416	10.3
231.06752	1.4
231.08998	33.6
237.07762	5.7
239.09412	7.5
241.11073	12.1
243.08995	9.4
247.08475	17.0
251.09444	7.1
253.11047	3.9
255.08958	7.1
257.10547	7.3
259.12131	26.8
269.10526	56.6
271.12024	1.2
273.09943	4.5
287.11597	48.1
292.11993	1.6
310.13150	1.1
315.16147	1.7
333.17279	21.1
339.18320	1.1
351.18350	60.0
369.19388	92.1
370.19714	2.1
374.19940	1.8
387.20444	100.0
388.20706	3.9
410.22043	5.8
429.11783	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	429.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	2.0
56.96244	1.6
56.96504	34.3
63.39223	0.7
63.76524	0.8
65.81012	0.8
67.05475	0.8
69.24477	0.8
71.95164	2.2
75.71472	1.0
95.50111	0.9
110.97554	1.5
118.69534	0.9
128.98558	3.5
135.76869	0.9
137.02751	1.3
146.99576	1.9
153.02007	1.0
155.03783	1.6
171.03300	1.3
185.04793	1.8
187.02780	1.1
195.06969	1.4
199.06371	3.8
203.05898	4.3
205.07434	1.6
209.08516	1.0
213.07973	12.0
217.07428	11.3
225.07913	4.2
229.07460	1.1
231.08998	24.3
237.08157	1.1
239.09464	10.4
241.11032	13.2
243.09050	7.6
245.10553	3.7
251.09518	3.9
255.08936	8.5
257.10507	21.0
259.12112	27.1
269.07632	1.7
269.10519	44.6
273.10062	8.5
275.11554	9.6
285.10233	1.1
287.11603	33.1
333.17297	5.7
334.95108	1.0
351.18359	25.9
352.18625	1.6
359.42438	0.9
369.19379	56.6
370.19589	1.4
387.20468	100.0
388.20770	6.8
410.21939	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84987	1.5
55.05457	1.4
56.96504	26.6
59.12736	1.3
61.71497	1.4
63.85000	1.3
64.73791	1.4
67.05439	2.0
78.58741	1.3
85.37238	1.2
89.37119	1.4
100.74500	1.3
117.03310	1.5
128.98564	2.0
136.06094	1.5
146.99625	6.8
147.04385	1.4
148.00432	1.6
169.01723	1.4
177.05394	2.6
185.04822	2.2
189.04301	2.0
197.00798	1.5
199.06456	7.7
201.07979	2.4
203.05833	6.3
211.06314	3.3
213.07996	8.5
215.02254	5.1
217.07387	19.4
222.07762	1.6
227.09418	1.9
229.07430	38.8
231.09009	14.2
239.05919	1.7
239.09430	5.8
241.11079	8.7
243.09056	5.6
247.08470	57.5
251.09492	3.1
252.09024	1.6
255.08980	2.6
257.06897	5.7
257.10574	7.8
258.07681	8.1
259.12088	17.8
266.52396	1.4
269.10498	32.6
275.11517	2.0
276.08698	5.7
287.11600	18.5
288.11868	1.5
333.17267	11.3
351.18372	26.2
369.19403	85.7
370.19833	1.8
387.20468	100.0
388.20541	2.0
410.21857	6.6
449.26230	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92699	0.3
53.03882	0.4
55.05447	1.7
55.72306	0.4
57.07001	2.4
67.05420	1.0
69.03371	0.7
69.06983	0.8
71.08523	0.5
72.08060	0.5
79.05406	1.1
81.06977	1.7
91.05412	4.8
92.10883	1.2
93.06960	2.5
95.04852	0.6
95.08549	1.0
105.06976	5.8
107.08518	2.1
108.05626	0.5
108.21711	0.4
109.10116	2.1
117.06957	0.9
119.08539	21.5
121.06430	3.3
121.10082	2.0
122.07217	0.8
122.45554	0.5
128.06143	0.5
131.08539	2.5
133.06490	0.5
133.10103	10.1
134.10887	1.9
135.08011	7.4
136.05191	2.3
137.05995	3.1
137.09596	22.9
139.07504	0.5
143.08525	0.7
144.09268	0.8
147.09138	2.0
149.09587	5.2
149.13225	6.2
150.13586	0.5
151.11206	3.8
159.07959	0.5
159.11603	0.9
161.09578	14.9
165.09120	4.7
165.10324	0.7
172.85191	0.5
173.09590	0.5
177.12715	100.0
178.13091	1.8
179.10612	6.1
180.11446	1.8
218.28189	0.4
239.10701	1.1
281.15228	1.0
295.22406	0.6
300.17160	2.6
327.22949	0.7
347.19510	0.6
349.14240	0.5
429.31857	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	429.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	2.2
57.03369	1.6
58.81036	1.4
60.05579	3.4
63.10168	1.4
67.05431	2.3
69.03346	8.9
69.06989	3.8
72.85752	1.4
78.35683	1.4
79.05411	2.2
81.06966	3.3
83.04898	5.8
84.36534	1.4
95.08528	3.8
119.10589	1.5
129.05417	3.5
192.52512	1.8
204.74728	1.7
304.30286	1.7
304.45895	1.7
305.40649	1.8
348.18237	1.9
379.61209	1.6
428.37268	1.8
429.31744	100.0
430.32043	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	429.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	1.7
56.65709	0.4
57.07016	0.6
65.03853	1.8
67.05431	0.8
69.06988	2.0
71.08548	3.4
79.05419	0.8
81.06979	2.7
82.88799	0.3
83.08504	0.4
91.05405	100.0
92.05722	0.5
93.06986	2.3
95.04890	0.5
95.08536	2.2
99.08014	0.8
105.06950	0.5
107.08527	2.0
108.08062	11.0
109.06482	2.4
109.10120	0.9
121.10069	0.8
145.10040	0.5
146.78633	0.5
165.12729	2.7
235.16835	0.5
291.23184	3.1
372.86270	0.4
381.27713	0.5
398.30450	22.5
399.30914	0.7
429.30307	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	429.3723
Annotation	HMDB12168
Peak:m/z	Relative Intensity
51.88995	1.6
52.09826	1.7
55.05442	11.7
55.65173	1.8
55.90338	1.7
57.06991	12.0
67.05412	3.2
69.06974	19.8
71.08532	7.9
79.05408	4.7
79.44295	1.7
80.70045	2.0
81.06979	33.1
83.04876	2.1
83.08530	4.9
85.10107	2.1
91.05366	4.7
92.60853	1.8
93.06982	14.3
95.08533	36.8
97.06405	3.0
97.10057	4.3
99.77685	1.7
102.66053	1.8
105.06975	8.9
106.76414	2.0
107.04919	3.0
107.08512	10.5
107.38816	1.8
109.10131	15.0
111.11631	3.1
117.06931	2.8
119.08473	4.6
120.08865	2.2
121.06474	4.5
121.10057	2.9
123.08006	2.8
123.11632	2.7
129.06897	2.8
131.08589	3.3
133.10066	4.2
135.11679	3.1
143.08519	2.6
145.10088	11.6
147.11682	8.3
149.09634	3.8
157.10060	8.9
159.11653	8.2
161.09489	2.3
161.13136	2.1
171.11612	2.5
173.13162	3.2
175.11172	11.6
185.13193	3.2
189.12776	2.3
199.14645	2.9
211.14711	2.5
225.16289	2.0
238.23515	1.9
295.24170	2.1
393.34988	2.1
400.11795	2.0
411.36020	18.0
429.31473	24.3
429.37103	100.0
430.32211	3.1
430.37372	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	430.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02045	0.3
51.02318	0.5
53.03885	4.8
55.01813	0.6
55.05429	0.6
57.03362	1.5
58.49077	0.4
59.75476	0.3
61.02834	0.3
64.33017	0.3
69.03006	0.6
69.03352	11.3
70.06511	4.0
71.04909	0.9
72.08067	2.3
73.02815	0.7
78.03369	13.4
79.05392	0.4
80.04920	2.1
81.03336	22.9
81.06962	0.4
85.02826	10.1
86.09621	0.7
96.04416	8.1
97.02834	5.9
98.05963	0.5
99.04392	2.7
100.03870	0.7
100.07507	0.5
106.02858	72.1
107.03205	0.5
109.02831	11.5
110.07124	1.8
117.09055	0.5
124.03911	100.0
125.04281	0.5
127.03877	5.5
131.04907	1.8
132.05247	0.4
146.06013	0.6
147.04391	0.4
151.03871	0.5
157.02774	1.6
161.05946	2.4
166.04955	0.9
182.12126	0.4
185.02312	1.6
186.05501	1.7
187.05724	0.4
189.05553	0.5
212.04785	0.5
217.04883	0.8
218.05174	0.5
218.08122	2.0
219.08400	0.8
229.04951	1.7
230.05164	1.2
232.06117	0.6
235.07805	0.4
246.07526	0.8
247.07965	0.7
250.07048	13.4
258.04108	0.4
259.09589	6.1
260.09912	5.7
265.08786	0.6
268.08093	29.4
269.08347	0.4
288.12198	1.7
289.12640	0.9
356.03867	0.5
374.77686	0.5
429.20233	1.8
430.20502	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	430.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	2.9
56.96519	2.2
57.03377	3.6
59.04918	2.5
61.02837	12.1
69.03352	26.7
70.06512	5.9
71.04909	25.0
73.02823	4.7
81.03330	14.2
84.08110	2.6
85.02342	4.6
85.02824	100.0
87.04376	3.4
89.05944	55.5
91.03870	4.2
97.02821	54.6
99.04384	11.8
108.16194	2.9
109.02828	10.2
112.77416	2.7
116.98607	3.0
124.03871	2.9
127.03894	20.3
127.65682	2.5
131.00104	2.7
134.99655	3.1
136.06171	29.3
145.04932	22.5
152.05649	10.1
155.07001	9.6
160.24551	2.5
163.05989	4.8
165.73880	2.7
166.03189	2.7
167.06998	88.8
190.96172	2.4
197.08104	12.9
199.69554	2.8
207.05795	4.4
233.10118	3.4
259.76245	2.8
269.05872	2.7
325.11218	4.0
357.07684	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	430.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30706	0.2
54.24455	0.2
54.82046	0.2
63.66737	0.2
69.03353	0.5
69.06987	3.6
69.38643	0.3
70.06489	1.2
71.04895	0.4
83.04884	1.1
84.04405	0.5
84.08061	0.7
85.02831	1.7
86.09622	100.0
87.05470	0.2
87.09953	1.2
88.02142	0.4
97.02824	0.6
101.05955	3.1
101.79044	0.4
132.10159	36.0
133.06105	0.3
133.10484	0.4
136.06157	15.7
136.07184	0.6
137.07986	0.4
152.05644	1.7
152.06937	0.2
164.67039	0.3
202.12790	0.3
287.54324	0.3
357.29770	0.4
430.15628	0.4
451.28989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.9
54.48336	0.3
55.01809	2.6
56.96501	0.5
57.03378	5.9
61.02855	11.2
61.70448	0.4
69.03347	19.6
70.06506	2.1
71.04903	2.5
72.08067	0.9
73.02825	4.6
79.05422	0.3
81.00943	0.3
81.03333	6.4
84.04414	0.7
84.08073	1.5
85.02826	100.0
86.03135	0.5
86.09628	1.5
87.04381	3.1
91.03872	4.5
92.10288	0.4
96.14525	0.3
97.02822	23.7
99.04391	4.4
99.35387	0.5
103.03889	0.9
109.02837	8.0
110.07166	0.4
114.83868	0.4
115.03889	0.8
116.98540	0.6
124.03938	1.7
127.02934	0.7
127.03874	20.2
130.06491	4.1
145.04941	24.7
147.04396	1.5
154.12093	0.4
163.05966	10.4
163.07236	0.5
177.05505	0.5
251.14926	1.8
325.11020	0.4
391.60989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	10.3
56.04979	62.2
57.03367	2.3
57.07007	3.0
61.01075	1.4
65.00537	3.4
67.05422	9.0
69.06996	12.3
72.05256	1.3
74.02356	100.0
74.05992	2.3
75.02618	24.7
79.05402	5.7
81.06976	10.5
82.09885	1.3
83.08526	6.8
84.04435	2.1
85.02834	3.2
91.05428	1.6
93.06988	2.8
95.08498	11.1
97.10130	1.7
102.05485	19.9
104.43507	1.5
105.07046	1.5
107.08544	2.3
107.50966	1.3
109.10100	2.9
112.99955	1.9
119.08592	1.5
121.10105	1.5
123.74416	1.3
131.01613	1.7
149.02658	24.1
151.24615	1.3
166.05316	55.1
172.10399	1.5
292.26193	1.9
301.30511	1.4
320.29413	18.4
366.29947	67.9
367.30292	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	430.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77861	0.6
51.04720	0.6
54.81190	0.7
55.05460	10.6
55.06496	0.5
56.96503	0.9
59.57450	0.6
64.25300	0.6
67.05425	3.9
69.06971	1.1
72.08075	100.0
79.05407	2.5
81.03347	0.9
81.06958	3.9
83.08562	0.9
84.55808	0.7
84.95958	0.9
91.05417	2.6
93.06973	1.6
95.04917	0.9
95.08523	3.4
97.06472	1.0
98.05989	1.2
101.15722	0.6
105.06980	3.5
107.08554	1.3
109.02824	1.0
109.06503	1.2
109.10119	6.9
112.93411	0.8
116.07116	0.7
117.03335	4.0
118.07837	1.2
118.08614	24.6
119.08508	1.0
121.10090	0.7
125.09545	0.8
131.94461	0.8
137.05917	0.8
145.02812	5.7
146.03108	0.7
146.68535	0.7
147.04350	0.7
149.05992	0.8
177.05450	5.2
187.14748	1.3
214.18039	0.9
215.14233	1.3
233.15309	4.3
270.20557	0.8
277.21643	1.4
295.22644	0.9
358.25656	0.7
412.21445	1.7
412.30292	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	430.3314
Annotation	Ebeietinone
Peak:m/z	Relative Intensity
53.86051	0.2
54.81651	0.3
55.05460	2.4
57.06426	0.2
57.07005	1.4
67.05436	2.5
69.06995	2.7
70.86230	0.2
71.08532	0.3
79.05398	1.6
81.06989	2.2
83.08538	1.8
91.05400	0.6
92.10255	0.3
93.06970	3.2
95.04881	0.3
95.08547	2.3
97.10103	0.9
98.09628	0.4
103.05408	4.6
107.04909	1.8
107.08551	0.4
109.10091	0.4
120.08059	100.0
121.08405	1.1
121.10104	1.0
131.04892	2.4
149.05977	1.2
156.13849	0.3
165.73515	0.2
166.08598	20.1
167.09029	0.3
174.14769	0.9
183.32393	0.3
349.31998	0.3
430.32623	1.2
430.38828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	1.1
57.81837	0.8
67.57960	1.0
69.06979	1.1
74.51061	0.8
79.05414	1.2
89.03852	20.1
91.05404	4.0
95.23624	0.9
107.04883	1.4
109.10075	1.4
117.03335	47.7
119.04910	1.6
124.05141	1.2
133.06404	0.9
134.03604	2.0
135.04384	18.4
138.29256	1.0
144.74345	0.9
145.02834	100.0
146.03172	4.8
147.04401	1.9
149.05986	16.9
159.11786	1.0
163.03877	38.2
164.04199	1.1
177.05441	97.6
178.05791	4.2
186.05370	1.6
216.25241	0.8
237.07433	3.3
413.12201	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94973	0.2
52.75561	0.2
53.03876	0.4
54.56961	0.2
54.81741	0.2
56.04957	0.2
56.96500	0.3
57.03373	0.4
58.28052	0.2
59.80733	0.3
65.03865	0.5
65.27864	0.2
69.03339	2.2
70.06498	1.1
72.08051	0.6
73.02834	0.3
74.09634	0.3
77.06075	0.2
81.02977	0.2
81.03344	3.7
83.01248	0.3
84.08056	1.5
85.02836	2.9
86.09616	1.3
89.03819	0.4
91.05412	7.6
97.02819	1.1
99.04404	0.4
107.04897	0.5
109.02819	0.6
110.07156	0.3
117.03342	1.4
119.04896	29.8
120.05234	0.4
124.03880	3.9
127.03857	0.4
129.10188	0.4
130.06499	0.5
136.50017	0.3
145.02794	3.5
146.06104	0.3
147.04385	100.0
148.04718	1.4
154.02577	0.3
163.03928	0.3
165.05431	1.8
169.04915	0.4
177.05450	4.3
181.04912	0.3
232.05020	0.3
272.52026	0.3
291.08524	1.9
309.09647	3.8
353.24390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67985	0.4
54.82355	0.5
55.05429	0.9
65.05580	0.5
69.03336	3.2
79.05389	3.3
81.03337	0.9
81.56013	0.4
83.04893	2.0
91.05408	0.5
95.04929	0.8
96.62652	0.4
102.18018	0.5
104.95837	0.4
105.06966	12.4
107.08529	3.3
109.87593	0.5
111.04392	0.7
112.99943	0.4
119.08540	0.6
123.08051	6.5
129.05441	0.7
133.06461	100.0
133.07500	6.0
134.06737	1.2
134.28633	0.5
147.47131	0.5
149.02385	0.8
151.07460	0.6
177.05544	0.5
221.08148	0.8
279.12256	0.9
297.13217	1.0
340.78781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04636	0.7
51.42771	0.6
52.65351	0.7
57.07002	1.3
58.42774	0.7
64.10218	0.7
70.08962	0.7
71.08529	0.7
72.04421	0.8
72.86978	0.8
73.46710	0.7
75.03193	0.7
76.40597	0.7
81.06969	0.9
92.10977	1.4
93.06943	1.6
103.05388	4.9
105.06942	0.8
107.08546	1.9
119.08498	7.8
120.08057	100.0
128.15945	0.9
128.79938	0.9
135.08060	1.2
167.06961	2.0
171.02994	1.0
199.91341	0.8
226.19597	0.8
306.27536	1.0
358.30942	1.7
386.30145	1.4
431.30661	1.0
431.36002	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	432.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	2.1
57.03365	2.7
60.96868	0.4
61.02844	0.9
64.82032	0.4
66.48930	0.4
68.65960	0.4
69.03345	7.0
72.04429	2.9
72.08061	1.7
73.02808	1.0
77.45145	0.4
81.03333	0.6
85.02825	16.5
85.33563	0.4
90.05478	100.0
95.52259	0.4
97.02820	5.7
99.04383	1.0
101.02328	0.6
104.10699	0.7
105.77581	0.4
109.02840	0.8
114.38486	0.4
115.03882	0.6
116.07061	0.8
127.03868	11.0
145.04924	6.9
163.05986	2.5
206.79890	0.5
282.31674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03851	0.5
54.17617	0.3
54.76625	0.3
55.01804	0.6
55.05441	2.5
57.03366	2.6
60.99748	0.3
61.02851	1.1
67.05417	0.6
67.86569	0.4
69.03347	11.9
71.04920	0.8
71.23334	0.4
73.02793	0.4
79.05412	1.6
81.03333	1.8
81.06961	0.8
82.25042	0.4
83.04900	3.6
85.02818	4.5
87.04391	0.7
91.05411	7.9
93.06959	0.4
95.04911	0.6
98.98393	0.8
99.04384	0.9
105.06985	3.3
107.08537	41.1
109.06474	2.0
111.04397	2.8
117.06973	2.0
119.08533	100.0
120.08851	1.9
122.29722	0.4
129.05415	2.2
133.06470	3.4
135.08018	27.5
143.10689	0.4
147.06479	0.7
155.71919	0.4
156.09480	0.4
281.13919	0.9
413.41125	0.4
415.21075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	4.2
57.07009	8.2
65.03870	3.8
67.05441	6.4
69.03332	7.2
69.06988	10.8
72.87471	4.4
79.05404	6.9
81.06985	38.2
83.08553	6.0
88.27773	4.0
89.05926	5.0
91.05424	10.2
93.06986	17.7
94.91015	4.4
95.08532	19.1
98.17696	4.6
103.64107	4.3
105.06985	8.5
106.46217	4.6
107.08540	56.5
109.10103	19.0
112.99953	10.8
116.81230	4.5
119.08530	100.0
121.10078	7.5
121.80402	4.5
135.08025	31.1
145.10101	7.4
414.34473	5.9
432.28537	10.6
450.69775	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	433.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.8
55.01810	1.0
55.05449	1.2
55.51858	0.7
56.96494	1.8
65.03864	10.4
67.05405	4.2
67.60027	0.7
69.03335	6.4
69.06982	0.9
69.73199	0.7
70.06506	15.0
72.08073	7.1
73.02851	1.0
78.03351	1.0
79.05409	10.0
81.03306	3.6
81.06979	1.0
82.04111	1.6
85.02820	9.8
86.09644	6.0
87.83559	0.9
91.05401	1.6
92.10888	1.5
93.04470	0.9
95.04898	10.4
97.02827	1.4
97.06460	3.3
98.05970	3.3
98.97488	1.9
105.06969	8.2
106.02853	5.6
107.04895	20.1
107.38589	0.8
108.02020	1.0
109.02810	1.2
110.03578	5.1
110.07106	7.9
111.04397	3.7
114.21114	0.8
115.05413	1.4
116.98597	1.6
119.04893	1.6
123.04353	7.3
123.08020	0.9
124.03898	12.0
124.05154	3.5
125.05940	4.3
126.05416	1.2
127.03875	1.4
131.04855	1.7
133.06448	9.4
138.03061	1.6
142.02570	1.4
145.02887	1.2
146.05988	1.1
147.04355	8.4
149.05835	1.0
151.03857	1.1
152.13019	0.8
155.07002	1.5
161.05959	12.5
162.05428	6.3
163.03807	1.2
163.05804	1.2
166.04971	1.2
167.06992	13.6
170.09201	3.3
171.06493	17.0
177.05426	1.6
178.06097	0.9
181.04909	100.0
182.05234	1.5
189.05444	1.0
193.06908	1.2
193.08545	16.3
204.10054	1.0
206.05640	1.1
207.06531	1.1
221.08017	21.6
237.02649	1.5
249.07503	8.3
254.03183	1.3
256.55869	0.9
257.56055	1.0
268.08145	1.8
282.02792	5.4
283.03064	1.1
300.03595	1.0
372.11816	1.1
403.13751	50.5
404.13879	3.0
432.60571	6.8
433.10883	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	433.1725
Annotation	Purvalanol B
Peak:m/z	Relative Intensity
50.09587	0.4
59.45071	0.4
86.60962	0.5
102.72556	0.5
147.04393	0.9
158.15829	0.6
161.83771	0.6
273.40994	0.5
433.17230	100.0
434.17389	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	433.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23349	1.0
55.05444	2.9
56.96483	1.4
57.03364	5.6
57.07008	18.0
58.29607	1.4
59.29284	1.0
60.56870	0.9
67.05430	9.1
69.03328	1.2
69.06986	4.8
71.08552	10.8
79.05423	2.1
81.06965	9.6
83.08535	2.1
85.06472	1.2
85.10110	3.0
86.83761	1.1
91.05388	2.5
93.06961	2.2
95.08517	9.7
97.10116	1.2
98.98400	7.7
107.08545	2.4
109.10110	6.8
112.99965	25.6
119.08534	10.5
120.08868	1.9
120.96593	10.3
121.10071	1.5
135.08066	1.4
155.01047	2.9
161.58762	1.2
169.02571	17.0
195.00241	8.9
263.23660	1.9
313.27307	17.4
415.16986	1.3
415.22168	7.0
425.98367	1.3
433.23172	100.0
434.23502	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	433.2346
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05445	17.0
56.96492	5.0
56.96984	2.7
57.03374	26.9
57.07004	4.8
67.05430	85.1
69.06995	22.0
76.55457	3.1
79.05404	55.7
81.06970	89.7
83.08539	6.1
87.19256	2.8
91.05388	25.8
92.10947	3.3
93.06970	80.5
95.04897	4.6
95.08535	79.6
98.98396	100.0
105.06958	24.5
107.08533	44.8
109.09457	3.1
109.10080	20.7
114.55252	2.8
116.07029	4.1
116.99448	3.6
117.06981	5.3
119.08531	13.6
121.06456	13.6
121.10096	28.5
122.06802	3.0
123.11691	3.7
131.08542	21.3
133.10135	7.2
135.11667	23.0
137.13289	3.3
145.10141	14.4
147.11696	3.5
149.13213	11.2
155.01033	4.2
159.11690	3.5
160.09720	6.0
161.13191	3.4
162.95148	3.6
163.14799	10.7
173.02072	6.7
173.13255	11.3
179.04102	2.8
184.07471	4.2
187.14795	5.9
222.74484	3.1
243.20984	20.4
261.21942	30.3
299.76230	3.2
333.16977	3.6
335.25754	84.2
351.18353	7.4
369.19275	4.4
432.26761	7.2
433.26633	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38389	1.4
50.51756	1.3
55.05442	7.0
57.03369	8.5
58.15165	1.5
58.59932	1.6
67.05418	3.9
69.06989	7.1
79.05399	2.3
81.06961	6.9
83.08526	2.5
92.10329	2.4
93.06955	2.4
95.08522	3.4
101.70324	1.6
103.65426	1.6
107.08549	3.6
112.99963	100.0
119.08519	8.9
120.08900	2.2
121.10038	1.8
131.01042	1.8
135.08022	2.4
145.13120	1.9
151.04741	4.2
152.03165	7.8
165.87569	2.1
169.02579	48.8
169.05746	2.6
177.12656	2.6
245.10986	2.2
257.16492	2.4
269.57227	2.1
369.19547	2.7
433.30283	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12259	0.8
53.03883	3.7
55.01820	1.7
55.05449	4.5
57.03371	4.0
59.04934	4.2
61.02840	5.1
65.03874	0.9
67.05425	1.6
69.03356	14.1
69.06967	1.2
70.06500	0.9
71.04895	1.9
73.02847	1.0
79.05404	27.2
81.03332	5.3
81.06522	1.2
81.06982	22.3
83.04903	55.7
85.02826	40.8
85.06458	3.6
91.05391	6.9
93.06962	7.6
95.04883	4.4
95.08543	1.4
97.02830	9.6
97.06450	11.1
99.00799	1.5
105.06971	9.6
107.04900	26.7
107.08539	6.3
109.02805	4.2
109.06464	10.4
111.07973	1.0
117.03295	1.3
117.06958	3.7
119.04905	1.4
119.08539	4.1
121.02759	1.2
121.06461	13.1
121.10085	10.9
123.08021	7.0
123.11742	0.9
125.05950	10.4
127.03874	5.1
131.08542	8.0
133.06462	9.1
135.04387	25.3
135.08008	10.3
137.05963	1.4
137.15472	0.9
139.07594	1.4
145.04922	4.1
145.06363	1.1
145.10094	9.1
147.04372	3.7
147.08061	1.9
147.11552	1.0
149.05972	6.1
149.09605	30.8
151.03879	1.9
151.11192	0.9
153.05431	14.3
156.42236	0.9
157.10028	1.2
159.08041	8.7
160.08696	1.5
161.05908	7.4
163.03865	10.9
163.06006	1.4
163.07404	1.4
163.11189	2.1
165.05460	1.3
167.06999	19.5
168.67000	1.1
173.09592	6.5
175.07550	1.4
175.11137	5.3
177.05441	4.3
177.09093	32.0
179.07008	20.6
181.04892	4.7
191.10643	35.1
193.08577	54.3
194.08875	1.5
201.09070	5.0
209.08086	1.7
209.11713	6.5
219.10136	40.1
220.10492	1.2
237.11168	100.0
238.11546	3.6
351.45969	1.2
366.11261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98514	0.9
53.03880	1.9
55.01814	1.7
55.05441	2.7
57.03364	2.6
59.04910	1.4
61.02839	4.6
63.89705	1.0
67.05450	2.1
69.03348	16.6
69.06953	1.1
70.06517	4.0
71.04895	1.7
72.08040	1.2
73.98633	1.0
75.13452	1.2
79.05417	23.5
81.03333	6.9
81.06979	16.6
83.04898	46.5
84.04435	1.5
84.05240	1.2
85.02826	36.2
85.06454	2.7
86.09619	1.4
89.61173	1.1
91.05394	8.9
93.06968	7.2
94.29372	1.0
95.04895	4.9
95.08531	2.1
97.02831	11.8
97.06462	11.1
98.97544	1.1
99.04396	1.2
103.05405	1.5
105.06956	9.7
107.04903	21.2
107.08537	8.2
109.02839	7.2
109.06470	11.6
109.20224	1.1
111.04443	1.1
116.98577	2.3
117.06968	1.6
119.04819	1.5
119.08549	6.2
121.06472	11.6
121.10110	8.4
122.06022	1.2
123.08024	6.3
125.05956	9.0
127.03875	5.4
131.00067	1.1
131.04776	1.1
131.08499	8.5
133.06433	7.4
133.10039	1.6
135.04372	22.2
135.08006	8.7
145.04922	1.5
145.10092	8.9
146.06039	7.4
147.08009	2.5
147.11629	1.3
149.05977	2.6
149.09584	30.1
150.05470	12.5
151.03876	2.6
151.07463	1.9
153.05449	12.9
155.08461	1.3
158.07211	1.6
159.08011	7.0
161.05923	7.6
163.03877	14.8
163.07512	2.7
163.11137	5.5
163.72244	1.1
165.09103	1.4
167.07042	9.1
168.06584	1.7
173.09566	10.0
175.07512	2.3
175.11211	5.2
177.05469	1.8
177.09079	29.9
179.07016	16.7
181.04997	2.6
188.07024	6.3
191.10643	34.3
193.08572	100.0
194.08835	1.7
195.10172	2.1
198.82666	1.1
201.09033	5.4
209.11690	6.9
219.10143	38.5
220.10396	1.1
237.02754	1.4
237.11162	82.6
238.03584	1.1
248.02280	1.5
248.55956	6.8
258.98703	1.0
266.03317	5.4
312.60468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66033	2.0
67.05418	3.8
72.96157	2.3
74.70493	2.2
81.06974	2.6
82.58839	2.2
91.05372	2.9
92.10259	5.2
94.04021	2.5
95.08504	2.9
100.95346	2.2
112.99985	4.2
119.08528	5.5
136.21071	2.1
137.09592	2.8
163.79749	2.4
177.12704	21.2
179.91145	2.6
199.29016	2.5
201.08846	100.0
202.09563	2.7
215.58725	2.6
240.16074	2.4
271.34216	2.5
321.14536	9.0
433.29364	21.2
434.29422	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	434.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39129	0.5
53.03888	1.4
55.01809	1.5
55.05447	14.3
56.96495	0.9
57.03373	1.5
57.07020	2.8
58.99512	1.3
60.29118	0.6
67.05429	23.6
68.25269	0.6
69.03352	1.7
69.06986	15.1
69.23720	0.7
71.04916	1.4
71.08545	14.6
76.02151	5.3
76.73380	0.7
79.05406	15.4
81.03340	9.4
81.06970	17.5
83.04905	6.7
83.08540	4.2
85.06470	1.3
91.05411	7.4
93.06975	21.9
95.04897	13.9
95.08526	16.8
97.06466	5.4
97.10091	3.4
99.08018	9.3
105.00039	1.5
105.06997	5.7
107.04874	1.0
107.08549	7.9
109.06479	2.8
109.10104	10.0
111.08029	1.0
117.03339	1.6
117.19012	0.7
119.04918	2.7
119.08546	6.1
121.06427	0.8
121.10090	8.0
122.02687	9.7
123.08017	1.3
126.87836	0.7
127.11111	0.7
131.08528	1.4
133.10114	4.5
135.11670	4.1
137.09576	6.9
139.11189	3.8
145.02869	4.0
145.10081	3.0
147.04376	4.6
147.11632	1.7
149.13184	1.1
151.11133	19.0
153.12695	1.1
161.13274	1.4
163.11169	1.0
165.12793	1.3
167.07066	0.9
171.11679	0.7
177.05417	4.1
177.12689	0.8
179.14345	1.7
202.56335	0.9
213.04323	0.8
221.15305	3.3
223.61394	0.8
239.02264	1.1
249.22058	1.0
257.03275	3.0
277.21576	36.7
278.21820	0.8
287.04349	1.2
295.22617	100.0
296.22971	1.7
413.05203	0.7
434.25192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02310	1.2
51.18544	1.0
53.03876	6.6
55.01804	6.3
55.05439	4.6
57.03361	1.4
60.07186	1.0
65.03849	9.9
67.05415	2.8
71.23565	1.0
73.03088	1.0
75.04406	9.3
78.04619	10.8
79.05013	1.0
79.05389	9.9
81.03328	1.9
81.06974	1.7
83.08485	1.4
85.02832	12.2
89.03819	4.4
89.05936	1.9
91.05397	47.1
92.10248	3.5
92.10870	6.3
93.03332	23.8
93.06965	16.1
95.04891	28.4
97.06459	8.0
100.11189	4.4
103.05392	17.2
105.03324	1.9
105.04453	1.5
105.06936	2.6
105.45783	1.2
106.04111	100.0
107.04913	6.5
108.05679	2.1
109.06467	4.9
110.45251	1.0
111.04369	5.5
115.50555	1.1
117.03316	2.0
119.04873	5.6
121.06454	93.7
122.07220	2.3
123.04364	5.3
123.07999	2.6
124.05152	4.8
125.05933	18.7
131.04849	4.4
133.02808	6.7
133.06467	6.2
134.03584	16.1
135.04350	4.7
137.05946	20.2
138.06718	5.0
138.23676	1.5
139.03859	1.3
139.07526	10.0
145.02809	1.3
147.04382	5.2
148.05147	6.9
149.05951	99.8
151.03883	2.1
151.07489	5.5
152.08298	2.1
153.05434	7.3
153.09073	28.3
154.06284	1.2
161.05963	1.7
163.07462	4.9
165.05391	11.3
166.06168	7.5
167.06967	9.5
170.03331	1.1
171.06479	1.7
177.05429	44.8
180.07835	8.0
181.04945	27.1
181.08533	33.8
182.05414	1.9
182.15370	1.9
191.07025	1.9
203.02051	1.3
208.07253	11.3
209.08040	83.1
210.08438	2.3
210.14659	1.3
225.07527	2.7
389.15555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1646
Annotation	Inflatin E
Peak:m/z	Relative Intensity
51.02310	1.2
51.18544	1.0
53.03876	6.6
55.01804	6.3
55.05439	4.6
57.03361	1.4
60.07186	1.0
65.03849	9.9
67.05415	2.8
71.23565	1.0
73.03088	1.0
75.04406	9.3
78.04619	10.8
79.05013	1.0
79.05389	9.9
81.03328	1.9
81.06974	1.7
83.08485	1.4
85.02832	12.2
89.03819	4.4
89.05936	1.9
91.05397	47.1
92.10248	3.5
92.10870	6.3
93.03332	23.8
93.06965	16.1
95.04891	28.4
97.06459	8.0
100.11189	4.4
103.05392	17.2
105.03324	1.9
105.04453	1.5
105.06936	2.6
105.45783	1.2
106.04111	100.0
107.04913	6.5
108.05679	2.1
109.06467	4.9
110.45251	1.0
111.04369	5.5
115.50555	1.1
117.03316	2.0
119.04873	5.6
121.06454	93.7
122.07220	2.3
123.04364	5.3
123.07999	2.6
124.05152	4.8
125.05933	18.7
131.04849	4.4
133.02808	6.7
133.06467	6.2
134.03584	16.1
135.04350	4.7
137.05946	20.2
138.06718	5.0
138.23676	1.5
139.03859	1.3
139.07526	10.0
145.02809	1.3
147.04382	5.2
148.05147	6.9
149.05951	99.8
151.03883	2.1
151.07489	5.5
152.08298	2.1
153.05434	7.3
153.09073	28.3
154.06284	1.2
161.05963	1.7
163.07462	4.9
165.05391	11.3
166.06168	7.5
167.06967	9.5
170.03331	1.1
171.06479	1.7
177.05429	44.8
180.07835	8.0
181.04945	27.1
181.08533	33.8
182.05414	1.9
182.15370	1.9
191.07025	1.9
203.02051	1.3
208.07253	11.3
209.08040	83.1
210.08438	2.3
210.14659	1.3
225.07527	2.7
389.15555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1651
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
51.00802	0.8
53.03883	2.3
55.01802	0.9
55.05446	1.0
57.03394	1.3
64.06113	0.9
65.03874	9.8
67.05431	5.0
69.03356	4.8
69.07000	1.1
70.06508	1.0
72.08082	1.2
76.02132	1.6
79.05416	8.8
81.03341	5.6
81.06964	4.0
82.04111	2.5
84.04422	2.0
85.02832	7.4
86.09621	4.8
91.05401	5.7
93.07026	1.4
95.04897	6.6
97.02814	1.7
97.06464	5.8
98.97491	1.3
105.06995	2.4
107.04909	18.9
108.02020	1.2
109.06475	1.2
110.03626	5.0
111.04395	4.6
115.05410	5.5
116.06223	1.1
117.03353	1.1
117.06987	4.4
119.08602	1.1
120.08088	1.6
120.27057	1.0
123.00784	1.1
123.04406	2.5
124.05192	5.6
125.05934	5.9
127.03864	1.5
128.69597	1.0
129.06981	2.1
131.04881	2.2
131.08516	1.9
133.06517	1.6
138.03125	2.3
142.02597	2.3
144.05679	2.4
145.02821	4.4
145.06448	11.3
146.05986	1.3
146.82573	1.0
147.04414	2.1
149.05936	1.3
152.04678	1.2
153.05418	1.4
157.06450	2.0
159.08070	4.5
161.05962	4.0
167.07011	27.4
168.88434	1.0
171.06496	11.8
172.05200	7.5
173.05934	4.6
175.07487	1.5
177.05479	5.3
181.04927	100.0
182.05263	1.7
187.07541	6.5
190.06308	1.7
191.07028	1.7
191.10629	1.4
195.06502	1.6
201.05447	6.0
205.08592	2.3
206.05734	2.0
218.05852	4.3
219.06340	1.4
219.10129	2.1
221.08086	1.8
233.08051	25.3
245.08170	1.7
263.09018	4.4
280.07037	1.2
290.17758	1.3
366.66083	1.2
367.11765	1.1
373.62946	1.1
387.14294	7.0
399.14301	3.9
417.15338	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	435.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51381	1.5
53.03885	6.6
54.28654	1.6
55.01799	8.4
55.05429	2.3
64.85104	1.7
65.03848	8.6
67.05421	2.6
69.03345	3.3
69.06968	2.5
70.06505	37.5
71.06852	2.2
72.08074	3.0
75.04379	11.2
78.04620	11.5
79.05394	10.8
81.03330	3.7
81.06985	2.1
84.04395	2.7
85.02834	18.8
86.09596	4.3
89.03812	3.1
89.05913	1.8
90.67833	1.8
91.05404	49.0
92.10266	2.3
93.03336	22.3
93.06973	19.6
95.04888	27.1
95.08543	2.0
97.02812	3.6
97.06446	11.1
97.73769	1.9
98.05986	3.1
101.90067	2.1
103.05411	18.1
105.03329	3.1
105.06966	3.9
106.02904	3.5
106.04116	97.9
107.04881	7.9
109.06451	7.5
110.03592	2.1
110.07119	15.1
111.04391	2.8
116.98548	2.0
117.03307	3.8
118.04113	2.4
119.04899	4.6
120.05669	2.2
121.06460	92.9
123.04371	9.0
123.08020	2.5
124.03910	7.8
124.05158	2.3
125.04240	2.1
125.05955	19.6
131.04913	2.3
133.02820	10.9
133.06439	2.6
134.03595	12.4
135.04375	2.0
137.05957	19.6
138.06721	3.4
139.07503	7.4
145.02849	14.6
146.03586	8.3
146.05994	3.0
147.04366	9.9
148.05101	8.3
149.05951	100.0
151.07545	3.3
153.05411	4.4
153.09094	24.1
155.06963	2.5
163.07455	2.4
165.05428	10.2
166.06097	3.3
167.06992	9.7
168.86755	1.9
177.05446	43.8
180.07808	7.6
181.04935	26.5
181.08559	29.4
191.07158	1.9
207.06346	2.7
208.07272	10.4
209.08049	83.0
226.08253	2.8
281.58878	2.0
307.78171	2.2
435.12561	2.8
436.22083	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	435.2504
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03885	1.5
54.81236	1.1
55.05447	26.2
57.03379	21.9
57.07009	6.6
65.03870	1.5
67.05425	72.9
69.06982	24.6
75.04395	1.7
76.55758	1.2
79.05399	20.1
81.06509	2.7
81.06976	69.2
83.08533	15.3
84.82497	1.3
91.05403	13.5
92.10208	1.3
93.06969	18.6
94.49551	1.3
95.04884	1.6
95.08530	66.3
97.06458	6.2
97.10101	5.1
98.98399	100.0
99.08032	1.5
105.06977	13.2
107.08543	9.8
109.10099	22.9
111.07997	1.8
116.99479	2.7
119.08520	8.1
121.10098	11.3
123.11655	10.1
133.10083	7.4
135.11636	2.5
137.09534	1.4
137.13258	2.3
143.68259	1.8
147.11658	5.4
149.13228	1.4
155.01022	27.0
159.46182	1.4
161.13235	2.9
173.02016	7.3
245.22621	6.3
263.23666	22.8
337.27280	61.3
338.27548	1.8
377.62149	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81804	0.6
58.06541	4.0
58.82325	0.4
61.14949	0.6
64.28551	0.5
65.03859	0.6
69.03354	0.7
70.06497	0.7
72.04437	2.6
72.08058	3.7
74.07101	0.4
77.58357	0.4
81.55518	0.4
84.04414	0.8
84.08062	12.9
85.02825	2.2
91.05408	9.5
97.02824	0.8
98.97521	0.5
99.09126	1.9
100.07546	36.7
112.11187	34.3
119.04888	29.9
119.05748	0.8
122.07066	1.1
129.13837	17.3
131.02290	0.5
134.99579	0.6
136.87064	0.5
139.03868	1.0
147.04385	100.0
148.04701	1.1
162.05428	0.8
171.14894	10.6
204.10202	5.6
218.11795	0.9
223.83252	0.6
245.23280	2.8
275.17554	1.7
317.18427	2.0
349.26065	0.8
391.26935	35.7
435.25656	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	435.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37915	0.8
53.21550	0.7
55.05450	12.8
57.05744	1.3
58.02899	0.7
62.00006	0.8
65.75079	0.8
66.19031	0.8
67.05421	2.0
69.06995	2.0
71.21040	0.8
72.08069	100.0
72.69439	0.8
73.08392	1.0
73.36485	0.9
79.05402	1.2
81.06985	6.6
93.06982	1.3
95.08531	4.9
98.98380	5.9
112.99988	1.5
119.08589	1.1
121.10175	0.9
121.85513	1.0
136.07489	1.1
165.12695	4.1
191.14110	1.0
263.24051	1.1
291.23108	3.9
337.27374	2.1
353.20462	9.7
354.20944	1.2
362.30423	16.2
390.29794	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	436.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	74.6
57.81838	1.3
69.03340	2.8
70.06493	6.9
72.08080	1.9
72.95960	23.1
74.97522	1.3
81.03341	2.3
83.89415	1.2
84.95956	11.0
85.02806	7.0
92.10897	1.8
95.04910	1.9
98.97517	6.3
102.96995	3.2
107.04884	27.3
110.97519	2.1
111.72218	1.2
116.98569	8.1
124.03905	26.3
128.98521	3.1
130.06450	11.2
131.00148	6.4
134.99593	6.5
140.04665	6.1
140.98613	3.2
146.99585	6.2
147.04396	2.1
149.01176	6.3
151.03908	19.6
158.99576	15.1
161.01208	2.8
162.05473	2.1
162.99113	3.3
173.01228	1.5
173.12796	1.4
174.99075	5.7
177.00665	47.2
181.04910	19.7
188.03743	3.0
192.03255	7.6
195.01707	14.0
201.00818	2.3
204.03218	5.9
206.04857	40.6
208.02800	3.3
210.04327	1.7
219.01878	6.0
220.02762	22.7
222.04286	6.1
224.05882	14.2
226.03806	5.6
232.02734	2.3
232.06035	1.6
237.02779	2.9
238.03859	12.0
250.03775	48.8
254.03142	1.4
260.02237	6.6
268.04849	100.0
274.03625	1.7
278.03241	2.7
286.05695	2.8
291.06473	2.5
292.04727	9.3
306.06442	10.0
310.05936	3.1
313.09012	9.2
314.03284	1.7
316.04883	17.0
334.05954	2.8
364.02304	1.3
376.06970	7.8
394.07904	25.5
417.89255	2.1
431.09262	1.6
436.08917	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03854	1.1
54.11035	1.0
55.05460	2.1
56.04966	2.4
56.96504	70.1
57.03374	1.2
58.01484	1.1
67.05437	1.2
69.03355	1.7
70.06517	9.5
72.08073	2.4
72.95962	22.3
74.97535	1.9
75.65775	1.2
77.10912	1.4
79.05417	2.5
84.04453	2.1
84.08065	1.8
84.95952	11.8
85.02819	3.0
86.09636	5.2
90.97055	1.4
91.05396	7.4
93.06994	1.9
97.02829	2.3
98.97507	10.6
102.96963	2.1
104.05278	5.4
105.06974	5.8
107.04915	3.1
107.08543	2.7
112.99112	1.8
116.98600	13.2
117.06944	2.2
119.08543	2.4
128.98524	4.2
130.06519	8.0
131.00137	5.2
131.08531	1.9
133.10117	13.5
134.99605	9.2
135.04356	2.4
137.05923	1.6
140.98524	2.3
143.11858	2.1
145.02869	2.4
145.06490	2.7
146.99637	7.8
147.04399	3.1
149.01222	6.6
149.05960	2.8
150.05469	10.2
151.05922	1.5
158.99641	20.2
161.01164	5.8
161.09613	1.7
162.99100	6.8
163.03909	15.9
164.04205	8.7
165.04353	2.6
167.07022	9.9
174.99101	2.6
175.11127	2.8
176.06886	1.5
177.00682	38.4
177.09004	1.9
179.02345	1.7
181.00180	1.4
181.08578	2.5
188.03809	5.2
192.03331	7.1
195.01845	10.2
198.04361	2.0
201.00856	1.7
204.03352	3.2
206.04851	33.5
208.02795	2.9
209.33514	1.4
210.24312	1.4
211.09549	2.8
219.01933	7.9
220.02769	16.2
221.11629	8.9
222.04408	5.9
224.05887	14.9
226.03888	3.0
236.02354	2.2
237.02811	5.3
238.03877	10.4
239.12727	2.4
247.99342	1.5
250.01343	2.8
250.03816	53.1
260.02261	5.9
267.09622	2.7
268.04861	100.0
273.05505	1.7
278.03296	7.8
292.04913	8.5
306.06479	10.0
310.05801	2.9
316.04886	18.4
320.04239	2.0
376.06894	7.5
379.60797	1.5
394.07944	25.8
436.08826	16.7
447.02188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08817	0.3
53.03892	0.8
55.01814	0.4
57.03362	0.4
65.03852	2.9
67.05424	0.9
69.03334	2.2
70.06509	5.0
71.04928	0.6
72.08065	0.9
77.49043	0.3
78.03374	3.2
80.04900	0.4
80.73460	0.4
81.03341	4.7
81.06947	0.4
84.04359	0.4
84.08058	0.5
85.02823	2.4
86.09608	0.7
91.05407	0.5
93.03326	0.7
95.04884	1.0
96.04403	2.0
97.02812	1.8
99.04350	0.3
105.06969	0.4
106.02858	12.9
108.02048	2.4
109.02834	1.9
110.03614	0.5
111.04387	5.7
112.08674	0.7
119.04886	0.4
124.03912	25.1
125.05965	1.8
127.03881	0.9
134.06000	0.6
135.04425	0.5
141.05447	5.4
147.04318	0.8
151.03888	100.0
151.04985	9.1
152.04247	1.7
152.07057	0.9
162.05498	3.3
166.04945	0.4
166.08762	0.4
167.06969	0.4
169.04921	0.7
250.07097	2.5
259.41458	0.4
268.07986	3.7
270.90482	0.5
318.67642	0.5
332.37289	0.4
418.11227	2.1
435.26920	0.7
436.12158	4.2
436.27664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	7.1
55.01804	17.5
61.02854	6.0
62.96880	3.4
69.03351	43.2
70.06541	4.9
73.02820	17.1
75.48629	4.3
81.03339	46.8
85.02824	100.0
87.00751	41.9
92.64054	4.6
97.02814	40.1
99.04395	24.1
105.01800	19.2
107.04876	17.3
108.04379	5.0
109.02823	40.5
111.04365	17.4
117.01778	5.7
127.03873	41.3
131.62895	4.8
139.03886	56.1
145.04958	8.9
151.03929	5.0
152.07048	17.3
159.02824	27.5
163.03847	17.6
163.38873	4.4
169.20340	4.7
171.06554	39.5
181.04878	5.1
195.06541	7.3
213.07614	19.0
279.08502	5.0
403.59955	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	436.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66392	1.9
55.05446	3.6
58.70703	2.1
78.04600	2.2
79.05403	10.8
79.36169	2.7
81.03337	19.8
81.06973	4.3
82.99814	2.8
89.99671	2.2
91.05384	9.9
93.06967	3.7
95.04905	5.2
105.06998	5.3
107.04912	15.9
113.14841	3.1
115.05406	10.9
116.04601	2.6
116.06123	3.0
117.06972	22.4
121.14481	2.8
123.04419	10.4
124.03887	13.7
129.07005	4.6
131.08525	5.2
133.06448	6.2
144.05663	10.3
145.02858	4.8
145.06490	42.3
147.04321	9.4
149.05928	2.6
155.05991	3.5
156.05687	10.2
159.08083	10.3
161.05920	4.9
167.06993	100.0
173.05930	52.4
177.05423	6.1
187.07526	4.3
190.06232	44.8
191.06947	3.3
193.08553	3.5
202.06496	3.2
203.07048	3.7
205.08563	62.3
217.08556	29.8
218.09097	2.9
219.10172	3.8
223.09418	2.5
234.06366	2.5
235.09627	5.0
237.83563	3.1
247.09514	3.5
265.10657	10.9
280.57941	2.4
285.23282	2.9
315.08667	4.2
330.10880	4.5
351.12354	4.2
383.14938	4.3
401.15784	3.2
436.12903	5.5
436.17896	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	436.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	1.5
55.05441	2.0
56.96509	1.2
58.06509	1.2
65.46918	1.0
67.05424	2.1
69.03343	2.8
69.06956	1.4
70.06501	5.4
72.08080	15.5
72.12167	1.2
81.03339	2.5
84.08068	7.8
85.02840	3.0
89.03857	2.9
91.05412	8.9
93.06996	2.3
95.08517	1.9
97.02837	1.6
98.06007	1.8
102.65608	1.4
105.06968	2.3
105.10246	1.5
106.02850	5.2
107.04875	2.6
107.08502	2.1
112.11239	1.4
113.07115	1.8
117.03319	24.3
118.04115	6.2
119.04900	8.2
120.05660	5.9
124.03931	8.5
130.06514	2.7
131.04874	2.4
133.02834	5.9
145.02827	30.6
146.03607	42.0
146.04729	2.3
147.04370	10.6
155.11752	5.4
162.05489	2.9
171.04396	1.9
177.05486	5.4
179.08533	2.9
181.04858	1.6
189.07045	7.3
191.08614	1.7
203.09447	5.3
207.08083	6.4
218.07983	2.1
219.08067	6.5
221.15477	2.1
235.07553	12.0
245.05919	1.9
247.07617	7.4
249.05466	1.6
263.06952	61.2
265.08426	14.1
268.08185	1.6
273.05438	2.1
288.24307	1.4
290.08118	11.9
291.06430	49.5
291.09418	2.0
320.12778	11.4
322.14432	2.1
347.13889	5.7
348.12234	47.2
365.15134	1.8
408.70929	1.5
419.19580	14.1
436.22253	100.0
437.22412	3.0
445.00116	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38962	0.3
55.05437	1.3
56.96503	23.0
57.03370	0.8
57.07002	1.6
58.06545	0.3
58.54102	0.3
58.86259	0.3
60.08105	0.4
64.33975	0.4
67.05428	3.9
69.06981	0.8
70.06506	1.4
71.07301	0.5
71.08535	0.4
71.95181	2.6
72.95957	0.7
74.97532	1.6
81.06975	4.0
83.08512	0.6
84.95948	0.4
86.09624	6.3
87.09944	0.3
88.07553	1.4
91.05396	0.6
92.98582	1.2
93.06945	0.6
95.08523	3.1
97.96726	0.6
98.97500	0.5
98.98402	4.3
102.09129	0.6
104.10686	2.8
109.10078	0.7
110.97547	1.4
115.97831	0.7
116.98608	0.7
119.08455	0.4
120.44187	0.3
124.99947	3.6
128.98563	5.2
129.52412	0.4
131.00116	0.6
133.98857	0.8
134.99628	0.7
137.02676	0.5
138.52956	7.7
141.02155	0.4
146.99631	11.0
147.00764	0.6
147.53473	2.5
149.01186	1.4
149.02283	0.4
150.03664	0.5
155.01022	0.8
155.03836	0.8
157.53726	0.5
161.01176	2.4
161.04880	0.5
163.03880	4.3
165.00671	3.7
171.03236	0.7
172.95206	0.6
179.02216	0.6
181.02634	0.6
183.03270	0.4
184.07309	5.3
185.04913	0.4
187.02681	0.5
189.04312	1.7
189.07916	0.4
190.05159	0.4
190.96381	0.4
191.05833	0.4
198.96786	1.8
203.05846	0.8
205.07309	0.3
207.06616	4.1
208.06207	0.6
209.04851	0.4
209.06839	0.4
216.97838	1.2
228.97906	0.4
240.09915	4.0
256.26270	1.9
263.09500	2.0
264.23865	0.4
267.64618	0.7
276.65167	2.2
277.11063	2.1
278.11890	0.4
281.10678	0.6
295.12064	0.4
296.13110	0.5
313.20465	3.2
317.17792	20.8
331.21515	4.4
332.22067	0.4
333.17303	3.3
335.18875	100.0
336.15820	0.5
336.19089	3.2
337.27420	0.5
338.27545	1.6
353.19937	37.4
354.20236	0.5
358.20401	6.8
371.20953	1.7
376.21265	2.6
395.04581	0.4
436.30481	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56705	2.4
51.97042	2.2
55.01784	3.1
55.05439	16.9
56.96482	3.8
57.03368	14.2
64.68974	2.4
67.05428	55.8
69.06979	18.0
71.04913	23.7
71.08527	11.0
73.11425	2.4
77.73691	2.4
78.98093	2.3
79.05402	34.8
81.06973	59.2
83.04884	4.4
83.08539	16.5
85.06461	3.0
91.04887	2.4
91.05379	21.6
93.06967	50.5
95.04892	10.2
95.08532	18.7
97.06467	17.4
97.10085	13.5
99.08028	5.2
105.06966	12.6
107.08532	21.3
109.06493	3.4
109.10098	16.0
111.08030	6.1
112.91540	2.4
117.06944	10.9
118.01482	3.1
118.54095	2.6
119.08520	3.8
121.10090	14.1
125.09557	5.1
131.08524	5.9
133.10091	13.7
135.07968	2.8
135.11687	3.6
147.04379	6.0
149.13200	24.5
151.11168	5.1
156.41656	2.8
159.11674	20.8
173.11705	5.8
177.12680	17.7
179.14284	6.3
189.11214	2.8
204.18658	2.8
229.14311	5.4
239.02066	3.0
257.03363	2.7
269.17395	100.0
277.21506	3.5
351.25201	6.1
383.27762	3.4
408.87234	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36688	0.5
53.58949	0.7
55.05445	1.2
66.28817	0.7
72.08070	87.8
100.44775	0.7
111.12414	0.7
121.67050	0.8
147.04362	0.9
222.06656	0.8
235.07506	1.7
250.06201	3.0
259.03854	1.1
260.07037	1.1
261.05380	1.1
263.06958	5.1
265.04672	0.9
265.08701	0.9
275.05774	1.4
278.05707	3.7
279.02798	1.5
279.06079	0.7
280.07300	0.9
282.05164	1.6
288.06616	3.6
290.05569	4.7
291.03250	0.9
291.06412	6.4
292.07217	1.0
293.08002	1.4
303.05331	0.9
305.06808	3.2
306.05093	22.5
306.08157	1.3
307.05725	1.1
307.09180	0.8
308.06912	2.9
316.05981	5.3
317.04230	1.2
318.04971	16.6
319.05801	1.4
321.07458	9.6
322.04639	2.9
322.55914	0.8
323.09225	1.3
324.06107	1.5
334.07159	3.7
335.05301	3.0
336.06036	6.1
344.53305	0.9
346.07047	7.4
348.08649	7.2
349.06985	22.8
349.41806	0.7
362.06552	6.4
363.07278	1.4
366.09546	7.3
367.07956	8.5
378.09650	100.0
379.10065	4.0
420.14325	54.4
421.14838	1.0
437.16995	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	437.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14409	0.2
53.67355	0.2
54.82097	0.2
57.17322	0.2
65.03866	0.9
70.06494	0.4
71.04883	0.2
72.08068	0.2
78.71597	0.2
84.08069	4.7
91.05398	9.7
116.66375	0.2
119.04894	27.9
120.05214	0.3
128.10669	0.3
145.02840	0.3
146.05983	0.3
147.04385	100.0
148.04716	1.4
191.44804	0.2
204.10162	45.8
205.10469	0.6
235.72050	0.3
273.15912	22.0
274.14059	0.5
291.17020	0.5
356.49600	0.3
409.15717	0.3
419.19574	3.2
437.20703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2661
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
50.86010	0.7
55.05197	1.6
55.05452	41.4
57.03143	0.9
57.03376	17.9
57.07011	18.6
59.39725	0.8
67.05074	1.6
67.05428	33.4
69.06987	51.6
69.14366	1.0
69.74423	0.7
71.04919	0.9
71.08536	5.7
71.23240	0.9
79.05406	14.9
81.06972	34.7
83.04924	1.5
83.08538	33.5
85.06467	1.5
85.10126	1.1
91.05402	1.4
92.10277	1.0
93.06970	18.7
95.07969	1.9
95.08533	32.5
97.06460	4.1
97.10101	19.6
98.98398	100.0
99.08018	1.1
107.08549	11.6
109.10107	13.3
111.08008	4.0
111.11662	2.0
116.99447	2.4
121.10125	13.8
123.11646	1.9
125.09610	1.0
129.06514	1.1
134.69316	0.9
135.11662	13.5
137.13232	1.1
149.13225	5.7
155.01010	54.3
155.97685	1.2
173.02025	5.4
247.24167	5.4
265.25189	24.2
305.46259	1.1
339.28885	62.0
340.29163	2.2
419.25330	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06017	1.0
55.05453	31.9
55.69083	1.1
57.03373	13.5
57.07006	10.7
67.05435	29.9
69.06991	37.2
71.08530	5.5
79.05416	15.1
80.99099	1.0
81.06976	30.9
83.08548	23.3
85.10087	2.4
93.06976	16.4
95.08544	24.6
97.06446	2.3
97.10086	13.1
98.98401	100.0
99.08003	1.0
107.08531	7.5
109.10101	10.5
111.08004	2.1
111.11685	2.2
116.99443	2.6
121.10133	15.3
125.09658	1.3
131.54076	1.2
135.11656	13.2
139.11060	1.3
149.13243	2.7
155.01010	53.9
163.14763	1.3
165.40677	1.1
173.02124	1.3
247.24159	2.8
265.25198	19.1
314.30023	1.3
339.28860	35.2
419.25211	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	437.2662
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
53.03868	1.1
55.05455	33.3
57.03378	15.2
57.07011	12.1
67.05074	1.6
67.05426	29.6
69.06986	41.1
71.04898	1.4
71.08540	6.1
79.05407	10.1
81.06975	32.4
82.99976	0.9
83.08543	29.2
85.10113	1.0
91.05397	2.0
93.06960	18.3
95.07964	1.9
95.08532	25.7
97.06464	4.1
97.10096	13.9
98.68726	0.9
98.98397	100.0
99.08042	1.3
107.08568	8.8
109.10106	11.7
111.08012	3.7
111.11662	4.0
116.99426	4.4
121.10117	13.5
121.63446	0.9
123.11633	4.2
124.27207	1.0
135.11688	12.8
137.13156	1.1
149.13249	3.9
149.29607	1.0
151.14847	1.7
155.01010	71.5
173.02052	2.2
174.76357	1.0
247.24300	7.5
265.25217	20.7
339.28876	41.3
419.25403	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2386
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
53.50661	0.2
58.06523	0.8
60.63400	0.1
65.03853	0.4
70.06516	2.3
72.08071	8.1
75.09154	0.3
84.08073	1.9
86.09634	0.2
91.05406	6.9
98.05967	0.2
101.10687	0.3
110.07109	1.0
112.11189	3.3
119.04900	20.5
120.05225	0.2
122.19372	0.2
124.55360	0.2
129.13832	1.8
142.89720	0.2
146.16493	0.9
147.04390	100.0
148.04742	3.5
155.11716	0.7
170.09280	0.2
172.14418	0.3
194.46260	0.2
201.05475	0.8
203.11819	0.9
204.10168	24.3
205.10533	0.7
218.11737	6.1
218.13718	0.3
221.12808	0.3
243.37791	0.2
247.14311	0.7
256.05978	0.4
263.06976	0.3
274.19287	0.3
275.17429	3.0
292.20160	7.4
293.20404	0.3
323.09058	0.7
327.32056	0.2
420.23129	0.3
421.21063	5.2
422.21387	0.3
438.23801	22.8
439.18518	0.6
439.24225	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2383
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
51.81390	0.2
54.81853	0.2
55.37511	0.2
58.06514	0.3
62.54717	0.3
65.03856	0.6
72.08070	20.4
84.08063	0.3
91.05408	8.6
112.11158	2.3
119.04893	23.2
129.13872	1.1
136.72050	0.3
147.04387	100.0
148.04660	0.3
155.11765	1.0
156.60660	0.3
176.10733	0.4
194.02319	0.3
195.35341	0.3
203.11749	4.0
204.10167	36.7
218.11734	1.4
221.12825	2.4
274.19098	1.9
275.17426	5.3
292.20117	12.8
318.18091	0.3
329.31769	0.3
367.16409	0.3
421.21106	1.2
438.23761	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25588	0.5
54.79858	0.6
57.07002	4.6
58.62141	0.6
62.98187	8.0
62.99773	0.6
65.85375	0.6
69.06989	1.0
71.08552	1.4
81.06947	0.8
89.05955	41.3
91.56266	0.6
92.10880	0.8
103.75010	0.6
105.07105	0.8
107.07001	1.4
107.08549	1.0
119.08486	0.9
125.26864	0.6
133.08543	13.4
133.10086	1.1
147.04414	1.0
151.94896	0.7
173.46919	0.8
176.06581	1.1
177.11232	0.8
239.14827	23.8
438.29462	100.0
439.29770	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	438.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28548	1.0
52.83168	0.9
53.00253	1.3
55.05445	1.3
57.07016	64.0
69.06979	6.0
71.08550	55.4
71.08951	1.6
71.70612	1.2
77.00608	1.1
81.06973	2.6
82.25597	1.1
83.08524	1.5
85.10100	20.8
85.21777	1.1
87.04368	1.3
89.05954	100.0
92.10165	2.5
95.08553	1.7
99.11650	1.5
107.06999	6.1
109.10129	1.8
121.10050	1.4
133.08578	34.7
151.09622	2.1
165.09067	5.6
177.11183	8.3
195.12270	1.9
239.14842	59.1
255.19902	1.4
421.35107	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	438.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67418	1.0
52.92915	1.0
54.81519	1.3
55.05445	1.2
57.06740	2.1
57.07014	57.9
59.36428	1.1
67.05403	1.2
67.52187	1.1
69.06987	2.6
71.08192	2.3
71.08550	45.6
85.10111	18.7
87.04422	1.2
89.05956	100.0
107.06995	2.2
117.03900	1.4
133.08574	34.5
150.05885	1.3
151.09633	2.0
177.11111	7.8
195.12263	1.3
239.14851	42.8
261.86893	1.3
261.95670	1.3
268.68228	1.1
322.22879	1.5
325.95944	1.2
381.88535	1.1
419.30838	1.1
421.35229	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	439.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12671	0.8
51.93501	1.0
53.03885	4.1
55.01804	1.7
55.05441	4.7
56.96501	8.6
56.96740	1.4
57.03376	1.9
62.51992	1.0
69.03349	13.6
70.06508	5.4
71.04899	5.4
72.07666	1.8
72.08065	55.8
73.02827	1.6
73.08389	1.5
75.09122	1.1
81.03338	9.2
83.04897	4.2
84.08073	1.5
85.02819	20.1
85.78313	1.0
86.09644	1.9
87.04375	1.1
91.05394	6.9
97.02818	4.6
98.97523	15.6
99.04350	2.2
109.02818	6.4
110.07143	1.7
112.11192	5.0
115.05354	1.6
116.98549	15.1
119.04880	26.8
120.05202	2.0
124.03914	1.8
127.03897	4.4
128.98584	1.2
129.13849	4.8
131.00143	4.3
134.99609	8.2
137.05931	2.5
141.03255	1.7
144.04446	1.2
146.05981	5.9
146.16483	1.1
147.04379	100.0
148.04724	15.3
149.01189	1.4
149.05894	1.2
150.52324	1.6
158.99545	1.5
160.05194	1.5
161.01215	1.3
162.05466	49.8
163.05779	4.5
173.01196	1.8
174.05389	1.1
175.07513	1.4
177.00658	4.8
177.05357	1.5
181.53186	1.0
186.03131	1.5
190.04935	2.2
191.02232	2.4
191.06979	1.7
200.54898	1.7
200.58534	1.1
201.05342	26.3
203.11836	1.8
204.06467	1.4
204.10168	36.6
204.12032	2.0
204.53368	2.6
205.06500	2.5
205.10515	6.5
207.07932	1.3
210.04303	4.2
213.53864	2.2
220.02760	1.8
220.05019	2.1
221.12791	1.4
222.06731	1.8
233.06143	1.5
235.07494	6.7
236.02225	2.3
237.09055	8.3
238.03897	10.1
241.03654	2.6
248.04662	1.6
249.05289	1.5
250.06189	2.2
253.00500	1.1
254.03401	8.5
256.05750	12.6
263.06989	13.2
263.56418	12.3
264.01706	11.9
264.06772	2.1
265.08466	11.6
266.03217	2.1
271.56149	1.4
275.17590	2.3
276.04263	2.4
277.08441	1.3
278.03207	1.8
280.07382	4.7
281.07886	1.4
282.02768	40.5
282.08911	1.3
283.03186	2.3
284.10617	1.6
288.01886	1.3
291.06418	17.8
292.20129	17.6
293.20566	2.6
296.10355	5.9
297.11176	5.7
300.03741	4.2
306.02808	7.4
308.06683	2.2
313.09433	9.8
323.09091	31.7
337.09561	2.5
348.03867	1.5
355.10254	1.6
378.06534	1.3
422.15851	15.8
438.23672	14.6
439.11105	55.4
439.18323	19.3
439.24081	7.1
439.61371	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30776	1.3
55.05430	1.9
56.96492	2.8
60.04445	2.2
62.87726	1.5
69.03344	6.5
70.06519	12.7
72.08081	12.4
80.44563	1.8
81.03333	3.5
83.04900	3.4
83.54171	1.4
84.04428	13.5
84.08071	12.2
85.02810	8.5
86.09618	7.1
89.74721	1.7
91.05372	1.8
97.02821	6.6
100.07520	2.0
101.00803	3.6
101.05933	3.7
102.05467	1.9
110.07117	6.7
119.01875	50.6
119.04881	4.1
120.08022	2.4
127.03832	3.1
129.10231	3.1
130.06450	3.0
137.02946	13.9
143.01886	34.2
145.02832	10.3
146.05940	2.7
147.04373	10.4
149.76611	1.7
155.01813	1.8
160.05238	1.9
161.02917	69.8
173.02939	3.0
177.05475	19.5
203.05334	27.3
209.99423	1.7
235.07858	1.6
244.05779	1.9
245.04942	3.5
249.09608	3.0
251.11183	1.8
263.06570	1.6
265.08466	1.9
271.06436	3.4
275.11118	1.8
291.10477	1.6
319.10229	12.9
323.08871	7.2
337.11325	6.5
343.10095	8.6
361.11203	3.5
379.08591	9.1
379.12756	3.4
421.14609	100.0
422.15051	4.1
439.15521	79.0
440.16315	2.7
463.02475	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52965	3.7
67.75713	4.1
69.03352	9.1
70.06509	28.7
72.08078	66.9
75.05521	5.9
81.03345	6.3
81.52383	4.5
84.04434	8.4
84.08073	24.4
85.02901	5.2
86.05959	5.5
86.09623	50.6
97.02819	20.2
98.97466	5.0
99.04413	5.2
100.07547	8.8
103.23521	5.3
110.02343	6.5
110.07100	62.9
112.66460	4.7
119.01891	32.0
119.04913	6.4
121.02875	5.5
137.02882	5.0
138.05496	10.7
141.06638	4.3
143.01898	27.0
143.11809	8.0
146.05992	9.0
147.04369	42.7
151.03867	5.3
153.73521	4.8
156.07651	42.6
161.02928	63.0
162.05286	5.3
203.11809	18.9
204.10196	6.6
265.08487	5.0
319.10168	6.7
421.14682	100.0
426.92514	5.6
438.23511	10.8
439.10745	4.7
439.15820	96.4
439.25226	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	439.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	6.9
56.96491	1.2
58.43659	0.8
69.03355	1.6
70.06499	6.4
72.08067	100.0
73.08376	1.8
76.49077	1.0
81.03339	2.4
84.08064	1.9
85.02801	5.1
86.09598	1.0
91.05396	8.0
96.05865	1.1
98.05975	2.3
98.97520	2.1
107.04926	2.1
109.02847	1.2
110.07077	1.4
112.11184	2.3
115.05408	1.3
116.98553	1.9
119.04892	18.1
120.05240	1.4
132.72043	1.2
137.05940	5.7
139.41846	1.0
141.03334	2.4
143.04735	1.2
145.06514	1.8
146.05951	2.3
147.04382	70.9
148.04697	15.0
160.05168	5.1
162.05460	11.9
162.93811	1.0
175.07506	5.7
190.04945	1.4
191.06960	15.3
201.05289	63.5
204.10185	21.8
205.06415	4.6
205.10489	9.9
206.11748	6.0
213.04260	1.5
220.05197	8.2
222.06721	4.6
233.05972	1.8
234.06601	4.3
235.07480	24.4
237.05371	4.0
237.09026	13.6
240.07913	1.1
241.03612	6.3
247.07329	1.4
248.04608	8.5
249.05354	2.3
250.06134	4.4
253.08543	2.5
256.05988	30.3
263.06946	37.5
263.56494	4.0
264.01602	1.4
264.07587	5.1
265.04922	5.3
265.08514	25.5
266.09003	1.4
272.46381	1.0
275.17419	1.7
276.04071	1.6
276.17755	1.3
277.08487	1.4
280.07248	14.9
281.07843	4.3
282.02902	9.4
282.08783	8.7
291.06430	46.8
292.06934	1.6
292.20184	8.5
293.20334	7.2
295.09634	1.8
296.10309	14.9
297.11188	12.0
298.07602	1.2
298.10495	7.4
299.12561	1.8
308.06656	8.1
309.11154	3.9
313.10406	5.3
315.13342	1.5
323.09064	94.3
324.09436	2.4
385.06982	1.4
394.16336	5.8
422.15881	51.0
438.23807	2.4
439.11292	9.3
439.18405	59.3
439.24182	10.4
439.60968	4.8
440.19388	3.0
440.25046	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	439.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	5.1
55.05446	13.3
56.01340	1.6
58.06524	1.1
64.33811	1.2
70.06512	46.9
71.06819	1.6
72.04427	4.6
72.08076	22.3
73.08431	1.3
76.85728	1.1
83.06009	1.7
83.08544	5.0
83.58431	0.9
84.04437	5.2
84.08119	1.4
86.09627	11.2
91.05407	12.1
93.04459	1.3
95.04874	1.6
98.05986	17.4
98.97512	1.3
100.11192	11.5
102.75564	1.4
106.15649	1.1
110.07117	26.1
112.11195	2.5
115.05407	14.5
115.08652	5.7
119.04894	24.1
120.05257	4.2
123.04372	4.4
125.05917	1.3
126.05458	4.8
131.04863	1.2
137.05962	28.7
142.12257	6.1
143.04904	13.8
145.02788	1.4
146.06004	1.4
147.04393	100.0
148.04723	26.6
150.63637	1.2
154.12241	4.3
159.61743	1.0
160.05173	38.5
161.97154	1.1
162.05499	1.6
163.03876	1.2
170.09244	9.4
175.03873	2.5
175.07521	40.4
177.05356	1.1
179.08521	1.3
191.06909	1.2
194.07231	5.4
201.05328	12.6
204.10153	25.0
205.06435	12.1
205.10500	9.9
207.06328	2.4
207.08055	6.7
210.14838	2.7
218.11607	4.4
219.08037	2.2
219.12074	1.9
219.80684	1.1
222.06664	11.2
223.07452	1.4
229.05168	1.3
233.05922	8.3
234.06685	8.3
235.07501	4.8
237.09065	45.2
237.11472	1.7
238.03772	1.3
238.09612	1.5
239.06902	2.0
239.10605	1.5
241.08536	1.6
247.07454	4.8
250.06178	12.4
251.06969	1.3
253.08495	4.4
256.05820	1.8
257.08173	1.5
263.07013	1.9
265.08548	75.6
266.09116	7.3
267.06567	2.1
267.09995	2.5
269.07983	6.3
275.17453	1.9
276.17838	1.2
279.10318	1.7
280.07242	1.2
282.02704	1.8
282.08881	9.6
284.10367	23.8
291.06546	4.7
292.20172	7.3
293.20416	4.6
297.11166	54.0
298.11176	2.2
299.12732	16.3
323.09036	8.0
334.27188	1.5
422.15942	2.0
422.21082	1.8
438.23651	11.7
439.18427	28.5
439.24045	18.3
439.32828	10.6
439.61768	2.0
440.19244	2.1
440.25015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	5.4
57.92338	0.7
58.42210	0.7
60.24909	0.8
66.96160	0.7
67.95729	0.8
70.06506	17.0
72.08067	80.2
73.08381	0.8
81.06960	0.8
86.09611	3.9
91.05405	1.7
98.05985	4.9
110.07108	8.3
115.05365	1.1
117.07019	0.8
119.04902	5.1
126.05489	1.6
137.05949	15.4
141.03325	4.2
147.04376	16.8
148.04695	4.2
170.09206	3.1
175.07582	1.6
177.05400	1.1
191.06975	13.3
194.07106	0.9
201.05318	75.8
202.05821	1.3
204.10173	4.0
205.06523	3.6
205.10577	1.2
206.06992	0.9
213.04268	1.3
219.08073	1.1
220.05156	5.4
222.06726	4.6
226.05019	1.8
229.04965	3.2
233.05988	3.1
234.06703	1.8
235.07474	20.7
237.09047	10.9
241.03647	4.5
244.05997	3.3
247.07518	2.0
248.04588	5.6
249.05359	1.6
250.06245	3.2
251.06683	1.2
256.05975	41.1
257.32635	1.0
263.06955	35.0
264.07574	4.6
265.04919	4.7
265.08563	18.4
266.09039	1.7
276.04248	1.4
277.08594	3.3
280.07257	11.9
281.07983	6.9
282.08890	7.4
291.06454	37.7
292.06854	1.1
293.20285	1.1
295.09613	4.3
296.10413	12.7
297.11163	7.0
298.10596	8.4
308.06720	5.0
309.11234	5.4
313.10791	5.9
315.13333	1.3
323.09067	100.0
324.09497	3.8
352.11685	1.3
380.10419	1.0
394.16333	5.3
422.15884	39.5
423.15909	1.6
439.18546	89.2
439.23352	3.5
440.18991	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	439.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	6.3
56.01318	0.9
70.06476	1.7
72.08070	83.0
90.18908	1.0
96.96026	1.0
98.05978	5.4
109.23322	0.9
115.05450	2.2
117.07002	1.0
137.05988	8.6
141.03345	5.3
143.04933	1.6
145.06505	1.6
160.05154	12.4
173.05873	1.3
175.07478	12.1
177.05501	1.4
184.81206	1.0
186.02971	1.3
191.06967	16.4
194.07294	2.0
201.05292	68.2
202.05794	1.5
205.06488	5.6
207.08020	1.5
213.04237	3.6
213.51256	1.0
220.05086	8.8
221.05933	1.6
222.06740	6.5
223.07411	1.5
226.04968	2.0
229.04935	4.4
233.05969	2.0
234.06731	4.4
235.07471	28.4
237.05466	2.2
237.06581	1.1
237.09039	22.1
239.07001	1.7
241.03709	4.1
247.07584	2.1
248.04691	6.1
249.05493	1.9
250.06235	6.6
251.06743	1.1
253.08485	3.6
256.06000	42.1
263.06961	36.1
264.07550	4.8
265.04935	6.0
265.08575	31.2
266.09161	1.9
269.08075	1.6
276.04242	1.2
277.08606	5.3
280.07169	12.9
281.07910	2.4
282.08798	6.3
284.10272	7.6
291.06448	39.0
292.06790	1.1
293.08511	1.0
294.08990	1.3
295.09659	1.9
296.10394	13.0
297.11121	18.8
298.10526	8.8
299.12747	4.1
308.06854	5.1
309.11273	5.6
313.10690	5.2
315.13257	1.3
323.09067	100.0
324.09372	5.1
354.64868	1.0
394.16272	5.9
422.15881	45.3
422.21280	2.0
423.16306	1.3
439.18546	64.2
440.19031	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	439.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	4.8
64.08231	0.7
69.03342	1.0
70.06506	5.7
72.08070	70.4
84.04424	1.2
85.02828	1.4
91.05410	0.8
95.04896	1.0
98.05988	1.6
101.36841	0.7
109.02820	1.1
110.02379	0.9
125.84286	0.8
127.03883	0.8
129.07011	0.8
130.04114	1.2
133.10085	3.4
137.05925	1.4
141.03313	5.8
145.02831	0.9
146.05991	36.6
147.04347	0.8
162.05493	1.4
173.06023	1.4
174.05463	4.2
177.05501	0.9
191.06984	11.3
192.06543	1.8
201.05290	56.3
202.05850	1.0
205.06488	4.7
213.04283	1.0
213.12331	0.8
219.07976	0.9
220.03004	1.4
220.05162	6.5
220.91800	0.9
221.05948	1.4
222.06796	2.9
226.05000	1.0
229.04993	1.2
233.05928	1.1
234.06786	1.0
235.07494	26.2
237.05502	1.6
237.09033	10.8
238.03865	3.2
240.05376	1.1
241.03673	3.0
244.05963	1.3
248.04643	8.7
249.05455	3.8
250.06117	2.8
252.07910	1.0
253.08569	1.8
256.05975	29.8
257.06470	1.0
261.13913	0.8
262.06052	1.0
263.06961	45.2
264.07623	3.5
265.04984	7.3
265.08554	16.7
266.03262	3.4
267.06577	1.2
269.12186	0.8
276.04163	1.3
277.08533	1.8
280.07217	13.3
281.08020	3.7
282.08820	6.5
291.06464	54.0
292.06903	3.1
294.08722	1.5
295.09564	3.5
296.10382	13.0
297.11200	5.0
298.10751	4.2
308.06891	5.8
309.11160	5.3
313.10672	7.5
315.13284	1.1
323.09085	100.0
324.09406	4.8
394.16400	5.6
412.33405	0.9
417.79807	0.8
422.15918	50.2
423.16132	3.9
439.18561	53.4
440.19037	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	439.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36219	0.8
54.22832	0.8
55.05452	6.1
56.96502	1.3
64.73685	0.9
67.05445	1.2
67.19817	0.8
69.03317	4.1
70.06512	7.2
70.44456	1.2
72.08072	100.0
73.08399	2.4
81.03339	1.4
81.06983	1.2
84.04420	1.0
84.08057	1.8
85.02836	4.0
86.54179	1.1
88.03994	1.0
91.05399	9.3
98.05957	2.0
107.04897	1.1
110.02334	1.4
112.11196	4.2
119.04914	18.6
120.05219	2.2
129.13849	2.3
131.00211	1.0
137.05960	2.1
141.03351	5.8
145.02859	1.6
145.06450	1.2
146.05928	1.3
147.04385	70.9
148.04738	21.6
149.05914	1.5
156.12041	0.9
162.05458	11.0
170.02777	1.2
173.05881	1.5
177.05492	2.1
191.06989	12.3
201.05283	61.6
202.05759	1.8
204.10155	16.9
205.06520	2.0
205.10501	9.0
208.75568	1.1
220.05193	8.7
221.05952	1.7
222.06694	4.4
226.04971	1.9
234.06671	2.1
235.07501	32.0
236.07776	1.2
237.09048	11.1
238.03786	2.0
241.03732	3.9
248.04692	6.8
249.05447	4.5
250.06213	3.8
253.08669	1.8
256.05997	29.3
263.06973	43.5
264.01782	1.4
264.07596	4.6
265.02466	1.3
265.04892	8.1
265.08478	16.3
266.09131	1.3
267.06458	1.3
275.17181	1.3
276.04312	1.6
276.17850	3.7
277.08340	2.9
280.07266	14.4
281.07928	5.4
282.02823	6.1
282.08878	4.9
291.06476	47.3
292.06918	1.8
292.20242	10.1
293.20361	8.1
295.09491	2.4
296.10336	12.7
297.11108	5.8
298.10767	6.7
308.06659	10.1
309.11145	5.3
313.10666	4.8
323.09073	94.6
324.09436	6.4
394.16229	3.9
422.15924	51.9
423.15988	2.4
438.23630	5.1
439.11932	3.2
439.18439	53.1
439.24109	16.5
440.18826	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	439.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88715	0.2
55.12812	0.2
61.11419	0.2
70.06503	0.4
72.08071	0.9
78.83949	0.2
81.09053	0.2
89.03837	4.6
91.05394	0.3
117.03326	19.2
118.03619	0.3
119.04868	0.3
134.03618	1.2
135.04391	1.2
145.02827	69.2
146.03165	1.6
147.04407	0.6
148.04726	0.3
149.05977	8.4
150.74667	0.3
163.03932	1.0
177.05437	100.0
178.05771	2.4
186.05435	0.4
186.66782	0.2
246.11209	1.4
383.30298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72068	0.3
51.51408	0.3
51.94822	0.3
53.67724	0.3
55.01796	0.4
56.86977	0.3
57.03366	0.5
59.57230	0.3
69.03334	1.6
70.06487	0.6
71.04900	0.4
82.62444	0.3
83.06023	0.3
84.08085	0.4
87.04393	0.7
90.71960	0.3
92.10367	0.3
97.02820	1.6
98.97543	0.6
101.05943	1.2
114.04404	0.4
116.98544	0.8
119.03512	0.6
134.99551	0.5
136.06158	100.0
137.04573	0.5
137.06586	0.6
155.45639	0.3
177.00648	0.6
241.52055	0.4
244.96902	0.3
269.69424	0.4
282.11917	10.4
296.30853	0.4
309.08694	0.4
333.08453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69649	0.5
55.01826	0.5
55.33686	0.5
56.04971	0.7
56.96507	0.8
58.06531	0.8
60.08093	15.2
69.03337	3.9
69.06965	0.5
70.06496	2.6
72.08053	3.4
73.02479	0.5
73.02822	4.6
73.06487	0.5
74.05989	0.6
77.77125	0.5
78.03677	0.9
81.03333	3.9
84.04421	0.9
84.08059	2.5
85.02809	4.7
86.09583	0.7
87.04375	0.7
88.64856	0.5
89.03851	0.6
90.09100	2.8
97.02780	3.0
98.97497	0.9
99.04347	0.9
102.03698	1.1
102.05476	0.8
104.10676	46.0
109.02838	2.7
110.07130	0.9
117.03289	0.7
121.34013	0.6
125.43610	0.8
127.03873	2.8
128.04887	1.2
129.10155	1.1
132.04462	1.2
132.10110	0.8
134.99608	1.1
144.08057	18.1
146.05978	100.0
147.04457	0.9
147.06360	0.9
149.07449	4.3
158.39832	0.5
160.07547	3.9
174.05452	5.0
177.00690	0.7
177.05460	0.6
188.10277	0.6
195.13887	0.6
248.14886	0.9
261.12799	0.7
312.29608	0.6
439.20627	84.8
440.21078	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.2
55.05442	1.4
56.96516	0.2
58.02900	0.2
58.06527	1.5
63.50395	0.2
65.03864	0.4
67.05418	0.2
70.06498	0.3
72.08076	2.2
79.05408	0.2
81.03326	0.5
83.08543	0.3
84.04388	0.2
84.08062	0.5
85.02821	0.4
91.05408	10.6
98.97520	0.4
99.20831	0.2
100.11184	1.6
107.04897	0.9
112.11182	1.3
114.09091	0.8
116.98561	0.4
117.03301	0.3
119.04893	28.5
120.05215	0.5
129.06874	0.3
130.12253	4.3
134.99548	0.3
145.02798	0.9
146.06021	1.3
147.04385	100.0
147.14897	3.2
148.04753	2.2
155.11784	0.3
159.08025	0.5
162.05489	1.3
177.05455	1.0
182.15378	0.4
182.54771	0.2
203.11780	0.2
204.10167	30.7
205.10513	0.5
207.06491	0.3
210.14981	0.3
220.02615	0.3
237.02788	0.3
238.03764	0.5
249.11166	1.8
250.11560	1.6
256.04858	0.3
275.17493	3.6
275.41870	0.2
276.15802	2.4
282.02737	0.4
293.18530	18.8
318.99683	0.2
323.08710	0.2
374.12921	0.3
380.10245	0.9
391.15198	0.2
420.49127	0.2
439.10193	0.7
439.22458	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	439.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27702	0.4
55.29374	0.4
56.04959	0.9
57.03353	0.7
58.06527	0.6
60.04439	0.9
60.07832	0.5
60.08094	10.4
61.01079	3.4
67.70204	0.4
69.03333	2.0
70.06490	2.6
72.04430	5.6
72.08050	1.1
73.02814	3.0
74.05969	0.4
78.03706	11.4
81.03325	2.8
84.04414	1.9
84.08053	1.9
85.02805	2.4
85.06448	0.7
86.09603	1.8
87.04411	0.4
88.02113	2.1
90.09122	2.0
95.04844	0.5
95.06007	0.6
97.02811	1.7
99.04403	0.5
99.05520	0.7
102.03699	15.7
103.02090	1.9
104.10670	34.9
106.94586	0.4
109.02836	0.9
110.07101	2.8
112.08707	0.6
113.05946	1.8
114.03690	1.0
116.98615	0.7
117.06976	2.3
120.04765	0.9
127.03909	1.0
128.04944	0.9
130.06520	0.7
130.08548	0.4
131.06346	5.7
132.04765	7.6
138.79897	0.4
142.08594	2.1
144.08052	100.0
145.02853	0.5
145.08408	0.8
146.05981	59.7
147.04376	0.5
147.06325	1.0
149.07408	39.3
160.07475	3.4
161.10706	6.8
162.05521	3.1
163.77640	0.4
174.05414	4.0
243.11537	0.7
248.14955	0.9
261.12592	13.7
279.13657	0.6
391.10034	0.5
393.64331	0.5
439.20642	60.3
440.20865	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	11.6
55.01798	22.0
55.05451	85.1
56.96508	10.4
58.63589	9.0
61.82994	10.6
65.05540	10.5
67.05414	100.0
69.03357	14.5
69.06972	72.8
72.08054	12.5
79.05396	59.2
81.03331	75.5
81.06983	81.7
82.47742	10.5
83.04881	13.9
83.08541	20.4
91.05404	50.0
93.06962	63.8
95.04905	20.7
95.08517	68.2
97.02840	26.8
97.06419	12.5
97.10110	20.7
103.78524	9.8
105.06954	25.2
107.08578	21.2
109.02840	83.9
109.10079	24.6
119.04893	15.1
119.08533	20.0
121.10104	23.5
127.03859	45.0
133.10046	21.3
135.11720	13.0
145.08452	11.1
147.04393	49.2
171.90076	10.5
182.31677	13.2
204.10118	10.9
277.21619	25.4
295.22830	16.0
403.24478	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71923	0.6
53.00233	0.9
53.03876	1.8
55.01812	0.7
55.05221	1.0
55.05453	15.7
56.24308	0.6
57.03371	0.7
57.07005	4.3
59.04940	0.8
64.15044	0.6
67.05428	30.4
69.03342	1.0
69.06988	25.0
71.04914	0.9
79.05409	17.6
81.06977	58.0
83.04920	2.8
83.08534	5.7
87.02965	0.8
89.05947	4.9
91.05403	20.6
93.06974	38.8
95.04886	4.8
95.08537	38.3
95.09154	1.0
97.06477	0.9
97.10083	5.0
105.06270	1.1
105.06976	31.2
106.07300	0.9
107.08539	40.3
108.08873	1.0
109.06452	3.8
109.10105	28.9
117.06971	3.4
119.04842	0.8
119.08541	27.7
121.06477	0.7
121.10097	18.3
122.07258	1.4
123.08006	1.8
123.11653	9.8
125.09639	0.9
129.06998	1.4
131.08533	7.1
133.08578	0.9
133.10091	15.6
135.08032	5.7
135.11650	11.3
137.09590	19.5
137.13231	1.3
139.07527	3.8
143.08537	3.3
144.09315	1.0
145.10130	9.9
147.11652	10.7
149.09579	10.3
149.13200	3.3
151.07515	1.7
156.09236	0.9
157.10095	4.5
159.08006	1.3
159.11629	6.2
160.08763	1.0
161.09557	1.5
161.13239	7.7
162.06685	0.9
162.80272	0.7
163.11073	1.5
164.08252	0.9
165.09077	100.0
166.09456	1.2
170.10771	1.1
171.11613	4.0
173.09578	3.7
173.13217	4.1
174.10370	3.2
175.07513	2.9
175.11145	3.2
175.14819	1.5
177.09114	5.3
177.12697	1.6
183.11723	0.9
185.09561	0.8
187.11093	3.7
187.14769	2.7
188.08315	1.0
189.09074	4.8
189.12720	4.1
189.16371	3.2
190.09792	3.8
191.10612	3.1
199.11101	1.3
201.09076	1.8
201.16302	1.7
202.09837	1.1
203.10590	7.4
203.17949	6.9
205.12180	16.2
213.16302	1.1
215.17879	1.1
216.11351	3.2
217.12228	6.2
229.12123	1.4
231.13692	4.0
239.14647	1.7
241.11990	0.9
242.12840	0.8
243.13741	4.3
245.15446	0.8
421.31012	1.7
439.31631	5.9
440.30972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	1.5
53.80956	0.9
55.05441	10.0
57.07001	8.1
65.88671	1.2
67.05141	1.0
67.05435	15.5
68.89268	1.2
69.06994	28.3
79.05396	15.5
81.06977	100.0
83.08521	2.9
89.05955	33.7
90.06278	2.5
91.05393	6.2
93.06969	35.0
95.04866	1.7
95.08532	38.0
105.06980	11.8
107.08535	22.0
109.10107	22.5
119.08553	11.0
119.43169	1.3
121.10086	25.7
123.07983	1.6
123.11659	8.0
126.24106	1.3
131.08508	2.0
133.08568	7.8
133.10101	6.2
135.08022	2.6
135.11676	5.9
137.05959	1.9
137.13226	2.6
139.07462	1.4
145.10135	2.1
147.11646	2.2
149.06006	2.5
149.09537	2.0
149.13213	9.4
159.11636	1.9
161.13219	2.1
165.09114	2.7
167.06984	7.0
221.11713	2.1
239.14789	14.7
240.15213	2.6
244.61679	1.4
396.31946	1.5
411.32370	2.8
439.31793	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	440.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83646	0.3
53.03873	0.4
54.96479	0.3
55.05448	1.8
56.04961	0.4
56.96510	3.9
60.04446	0.6
67.05422	0.6
67.39770	0.3
67.49603	0.4
69.03342	1.8
69.27820	0.4
70.06512	3.9
72.08073	26.9
73.02828	0.5
73.08389	1.7
78.90099	0.3
79.05392	0.4
81.03321	1.3
81.06994	0.5
81.63055	0.4
84.04443	1.4
84.08083	1.9
85.02827	1.6
86.09560	0.6
91.05406	2.1
95.04904	0.9
97.02825	2.6
98.06004	0.7
98.97520	0.4
101.19767	0.4
105.06970	0.5
107.10391	0.4
109.02849	0.5
115.05383	0.6
116.98543	0.4
118.06453	0.5
127.03820	0.5
128.04903	2.8
132.04411	3.1
133.10104	2.6
134.99661	0.6
141.03345	1.8
141.23357	0.4
142.03665	0.5
145.02812	0.9
146.05997	100.0
147.04419	1.0
147.06345	3.3
156.04442	0.8
160.05138	0.5
162.05557	0.6
174.05479	14.4
174.06647	0.5
175.07391	0.6
177.05426	0.8
189.00644	0.4
191.07057	4.5
192.06511	16.0
193.06772	0.5
194.60686	0.4
201.05269	16.2
202.05624	6.9
205.06445	0.9
220.03075	0.6
220.05170	2.6
221.05615	0.8
222.06657	2.0
226.04941	0.5
230.05081	0.4
233.05927	0.5
235.07500	7.1
236.07904	3.7
237.05347	0.5
237.09109	3.2
238.09428	0.9
241.03598	0.6
248.04599	2.1
249.05254	2.5
249.07863	0.7
250.06088	1.0
251.06610	0.6
253.08365	0.8
256.05991	7.6
257.06372	3.3
263.07001	12.0
264.07315	7.1
265.05154	1.2
265.08469	5.0
266.03137	0.9
266.08923	3.5
267.09055	2.3
268.06616	0.5
277.08578	0.5
280.07181	3.1
281.07748	2.3
282.08667	2.0
283.09082	0.8
285.10086	4.5
291.06488	12.2
292.06857	7.3
295.09381	0.5
296.10291	3.5
297.10971	2.9
298.11133	0.8
308.06729	2.1
309.07266	0.8
309.11108	0.8
313.10681	1.7
314.11029	0.6
323.09082	21.4
324.09460	15.7
381.12192	0.5
394.15814	0.4
395.16449	0.6
399.13367	0.6
422.15903	7.7
423.16232	10.3
439.18607	7.5
440.18958	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	440.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46837	0.7
55.05420	1.1
57.03395	1.0
62.00908	0.8
68.99826	0.9
69.03349	1.7
70.06512	1.1
72.08063	1.9
78.04627	2.1
79.05408	2.1
81.03352	1.1
81.06980	1.0
83.04918	0.8
85.02850	1.3
86.09596	0.8
91.05421	4.4
95.04874	2.0
100.06463	0.9
103.05407	6.6
105.06987	5.0
106.04132	1.4
107.04925	8.0
115.05379	1.3
117.06953	0.9
119.04893	1.7
121.02866	1.3
121.06479	1.4
123.04382	10.6
124.05173	4.1
131.04906	7.8
133.06439	8.1
137.05934	3.5
145.02823	1.9
145.06480	1.3
146.05959	1.2
147.04408	5.6
148.04674	1.3
151.03938	1.6
152.04634	2.0
159.07956	1.4
161.05908	6.5
162.05482	1.7
163.07504	5.8
167.07001	100.0
168.07390	1.2
171.11862	0.9
175.07491	1.0
177.05469	3.6
179.07047	0.9
181.08575	3.7
187.07481	3.4
192.07675	0.9
193.08554	12.1
201.05403	1.3
201.09100	1.1
210.14900	1.1
219.10117	2.0
248.58197	0.9
265.08444	1.2
281.07904	0.9
294.08545	0.9
324.09381	4.0
355.15405	6.1
375.94327	1.1
387.17984	3.2
405.18906	6.7
440.18973	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	440.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89291	0.6
54.55317	0.5
55.05448	1.1
56.96500	0.8
58.06523	1.5
58.17535	0.5
66.73028	0.6
69.03355	1.3
70.06494	2.4
71.04916	0.6
72.08072	49.2
73.08411	1.4
84.08051	1.3
85.02828	4.0
86.09686	0.6
86.95655	0.8
89.15021	0.6
91.05411	12.7
97.02812	0.8
98.97542	1.1
100.07544	5.0
107.04901	41.2
107.05627	1.4
112.11172	1.5
116.98586	1.2
119.04903	35.8
120.17916	0.7
121.06461	0.8
127.03874	0.7
129.13826	0.7
130.63336	0.6
134.99664	1.1
137.05934	0.8
145.02846	0.8
146.06020	8.0
147.04393	100.0
148.04709	4.6
149.04961	0.7
149.05974	6.2
162.05403	6.8
163.05820	1.0
164.42209	0.7
175.04037	0.7
176.10794	0.7
177.00755	0.9
177.05429	0.8
190.04810	0.6
191.81993	0.6
201.05479	3.6
202.05760	4.1
203.11838	0.8
204.10231	1.5
205.10405	0.8
205.13351	3.9
206.11739	69.9
207.12022	2.6
218.11697	3.1
219.01808	0.7
223.14334	3.5
235.07434	0.9
236.07762	1.0
237.02939	0.9
249.05121	1.1
256.06012	1.3
257.06281	1.0
262.24652	0.7
263.06943	1.2
264.01685	0.7
264.07156	4.0
266.08826	1.1
276.20596	0.8
277.01797	0.8
277.19058	9.5
282.02780	3.6
283.03036	1.2
291.06430	1.1
292.06909	4.3
294.21704	14.8
323.09061	4.1
324.09537	7.2
337.99399	0.6
423.16388	3.9
423.22696	2.4
439.61353	6.2
440.11288	4.2
440.18970	5.3
440.25259	40.8
441.25833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	2.7
56.04994	1.8
57.03377	4.2
57.04026	1.6
57.07020	7.8
60.08099	22.2
67.05419	11.2
71.07288	4.4
71.08543	3.0
81.06960	2.4
86.09140	3.7
86.09629	70.2
88.55764	1.8
89.68518	1.9
91.05419	2.4
91.88261	1.9
92.01952	2.2
95.08520	3.2
98.97523	2.4
98.98387	2.7
104.10678	100.0
109.10107	8.4
114.61258	1.9
116.98544	3.5
117.03320	4.1
124.99957	44.5
134.99678	4.0
145.02818	16.6
177.05443	19.7
184.07314	84.5
184.08926	3.5
257.21091	4.3
265.15390	2.8
292.98401	2.9
422.26550	7.3
440.27576	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	441.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02308	0.1
54.32194	0.1
55.05442	0.1
62.01512	0.1
63.02015	0.1
63.02314	0.6
67.34537	0.1
72.08068	5.8
78.04619	0.4
84.99004	0.1
85.92397	0.1
89.03834	10.2
89.10711	3.3
91.05411	0.7
95.04899	0.2
98.05984	0.4
100.11201	0.1
103.05394	0.6
106.04106	0.7
107.04875	0.1
113.88653	0.1
115.08640	0.7
117.03325	36.3
118.03667	0.6
119.04883	0.5
124.05182	0.4
134.03587	2.5
135.04388	3.1
145.02818	88.7
146.03168	1.9
147.04378	0.6
149.05952	13.2
150.06335	0.2
156.71750	0.1
158.05934	0.2
162.03098	0.5
163.03903	1.1
177.05431	100.0
178.05760	2.3
186.05443	1.1
247.14409	0.1
248.12743	2.4
265.15399	22.3
266.15640	0.8
291.13367	1.3
399.63034	0.1
441.20087	1.6
467.31610	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	441.2014
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
51.40565	0.3
54.69476	0.4
56.74961	0.3
61.39389	0.3
72.08063	2.8
89.03839	9.5
89.10709	0.5
91.05404	0.5
92.10290	0.5
101.26991	0.4
106.04082	0.7
110.88363	0.4
114.90056	0.4
117.03328	36.5
134.03624	2.4
135.04387	2.4
145.02820	91.7
146.03256	0.5
149.05952	14.1
163.03868	0.5
173.03960	0.4
177.05429	100.0
178.05829	0.9
248.12753	2.6
265.15384	17.9
265.18228	0.6
291.13281	1.5
295.06021	0.5
371.42560	0.5
441.20129	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44278	0.4
72.08076	3.6
74.11523	0.4
89.03831	9.1
89.10726	0.6
107.23319	0.5
109.80405	0.4
117.03323	35.3
119.04848	0.5
119.61431	0.4
125.94268	0.4
134.03606	2.9
135.04350	2.2
145.02817	93.6
146.03160	2.0
149.05959	13.6
153.64558	0.5
163.03912	0.7
177.05424	100.0
178.05794	2.8
248.12733	3.2
265.15399	20.1
266.15833	0.7
291.13364	1.9
311.08536	0.4
441.19803	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	441.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	1.4
70.52294	1.3
79.53825	1.3
82.93183	1.3
84.04420	2.2
89.03828	7.4
89.10680	1.7
93.07001	2.0
103.81118	1.4
117.03310	26.1
134.99648	2.1
145.02815	53.8
145.03969	2.0
147.04420	1.9
149.05977	6.9
177.05424	64.3
178.05763	1.7
192.75641	1.4
201.00887	1.3
221.52608	1.5
261.81656	1.5
265.15402	11.5
316.63095	1.8
441.28146	100.0
442.28738	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	441.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89182	2.6
55.05433	5.1
57.07000	4.1
65.31653	2.5
67.05400	6.3
69.06982	32.5
71.47890	2.6
78.74911	2.5
79.05400	14.6
81.06971	80.6
83.63317	2.7
87.13579	3.3
91.05401	3.9
92.10233	4.4
93.06933	15.6
95.08521	25.9
105.06997	5.4
107.08533	22.9
109.10074	13.9
117.06815	3.2
119.08481	5.4
121.10078	4.1
133.10083	3.9
135.08000	13.0
135.11676	5.4
137.09561	19.9
139.07498	11.6
145.02835	10.9
147.11642	4.2
149.09607	3.0
163.07442	22.3
164.49184	2.7
165.09065	100.0
177.05418	7.0
181.08597	6.8
189.09013	4.6
191.10587	4.2
203.10519	5.6
205.12154	16.6
289.97620	3.4
423.32574	6.9
441.33218	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	441.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39638	0.4
55.05440	0.8
56.04967	0.5
56.96507	5.2
56.96741	0.7
57.07018	0.4
61.57271	0.4
66.49802	0.4
67.05416	3.5
69.06974	2.1
71.04927	0.8
79.05414	0.8
81.06987	4.6
83.08464	0.5
84.75918	0.4
87.05805	0.5
91.05379	1.0
93.06952	2.5
95.08517	3.0
105.06976	1.8
107.08523	2.8
109.10090	10.2
117.03356	0.8
119.08540	3.8
121.10101	1.1
122.07238	1.1
123.11617	0.8
123.84559	0.5
133.10068	1.9
134.99649	0.5
135.11642	2.1
137.09596	16.5
145.02820	2.6
147.11694	0.9
149.01324	0.6
149.05884	0.6
149.09532	0.5
149.13260	0.9
151.07532	0.5
161.13263	0.5
165.09071	100.0
166.09386	2.0
177.05424	3.4
179.10626	0.7
189.16350	0.6
203.10786	0.7
203.17950	0.7
205.12228	4.5
233.15369	0.6
265.15326	0.7
285.17319	4.2
290.74826	0.5
303.18369	11.9
367.28680	0.5
401.21909	3.0
441.32831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.0
55.05442	0.9
56.50360	0.2
56.96496	0.4
57.03367	0.8
58.12774	0.2
65.20813	0.2
69.03342	2.4
69.45461	0.2
70.06512	1.9
71.04893	0.8
72.08058	0.7
73.02803	0.3
73.06474	2.3
81.03339	4.6
83.05995	0.2
83.64268	0.2
84.04434	0.4
85.02834	2.5
86.09639	0.7
89.03857	0.2
91.05412	0.5
97.02821	2.3
99.04378	1.0
101.05954	3.1
105.06969	0.2
107.04897	0.3
109.02835	4.2
110.07102	1.0
116.04938	0.9
116.98454	0.2
117.03407	0.2
119.04884	0.7
120.08072	0.3
121.02816	0.3
124.03844	0.3
126.38255	0.2
127.03875	4.3
130.06487	0.4
134.05972	3.2
136.06169	0.4
142.95193	0.2
144.04417	1.6
145.02864	0.8
145.04877	0.3
146.06036	1.5
147.04414	1.5
148.03908	1.0
162.05472	100.0
163.05798	1.9
177.05424	1.2
178.90533	0.2
181.08511	0.4
190.04965	10.2
191.16336	0.2
208.06030	7.4
250.06940	0.2
257.03256	0.4
262.07220	0.3
270.07489	0.3
298.07281	0.3
316.08133	0.9
334.09216	1.7
345.44049	0.2
352.10095	0.4
406.14810	0.9
464.33176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30592	0.6
56.96479	0.9
57.03357	1.0
61.02856	1.0
69.03342	4.4
70.06500	3.6
71.04904	3.1
72.08055	4.6
73.02812	1.3
81.03346	4.3
81.96587	0.7
84.04431	0.7
85.02818	8.4
86.09627	1.3
89.03860	1.6
91.05401	3.7
92.10813	1.4
97.02821	4.8
99.04365	0.8
103.21753	0.9
107.04923	0.9
109.02819	4.1
116.98508	1.1
117.03350	4.7
119.04875	3.2
124.03902	1.7
127.03882	3.3
128.04922	1.0
132.04393	1.5
135.04344	1.7
145.02809	13.3
145.04950	1.2
146.05984	100.0
147.04399	15.4
147.06343	4.3
155.08624	0.8
160.78036	0.7
162.05434	2.9
163.03947	8.1
174.05461	10.2
177.05438	13.4
185.09575	1.8
191.06918	1.0
192.06483	7.4
204.10184	1.7
206.06575	1.0
214.04712	49.6
220.09673	1.0
223.65701	0.7
224.07587	11.2
227.10500	1.2
233.11473	3.4
245.11620	5.1
250.05571	7.0
251.12480	57.2
266.03369	1.0
294.07690	0.8
314.60593	0.8
336.10391	1.0
361.15729	1.0
406.14844	1.2
424.15738	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	442.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.7
55.01812	0.5
55.05447	0.5
56.96499	1.8
57.03371	1.1
58.06532	3.2
59.07321	1.2
60.08094	18.6
61.02843	0.6
67.19607	0.4
69.03344	4.1
70.06504	3.1
71.04921	0.5
72.08064	5.4
73.02834	4.9
78.04586	0.6
79.04419	0.5
81.03339	5.9
81.06958	0.5
83.04842	0.7
84.04420	0.7
84.08073	1.0
85.02830	8.0
86.05991	0.8
86.09637	0.5
87.04372	0.5
89.03835	3.4
90.09098	0.7
91.05390	2.9
97.02820	3.9
98.97507	1.0
99.04377	2.2
104.10674	57.7
109.02831	3.3
110.07118	0.8
116.98561	0.5
117.03322	12.6
117.04086	0.8
119.04904	2.6
127.03846	2.7
130.04987	0.8
134.03606	2.9
134.99643	0.8
135.04399	1.1
145.02817	50.0
146.06000	0.7
146.99629	1.0
147.04372	8.7
149.05920	4.8
162.03246	0.6
162.05476	13.2
163.03877	2.3
163.05907	0.8
177.05423	59.3
178.05762	2.0
189.00722	0.7
201.00713	0.6
208.06082	0.5
219.01595	0.7
223.02962	0.6
229.08640	1.9
237.02769	1.2
248.14873	1.0
253.03784	0.7
264.42865	0.5
271.04880	0.8
287.04285	0.9
321.09756	1.0
415.58704	0.5
424.01556	0.5
427.18396	3.4
442.20615	100.0
443.21017	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	442.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96999	0.3
51.58687	0.3
53.00230	0.3
53.92088	0.2
55.01813	0.6
55.05446	3.3
56.04972	4.3
57.03381	0.3
57.06996	0.4
62.26441	0.3
62.48210	0.3
63.20536	0.3
67.05431	5.0
69.06992	5.4
71.08526	0.6
71.24163	0.3
71.75768	0.3
79.05392	3.0
81.03330	0.4
81.06977	3.4
83.04904	0.5
83.08551	1.3
84.04429	100.0
85.04778	0.5
91.05415	3.0
93.06966	3.7
94.74345	0.4
95.04908	0.9
95.08531	3.4
97.06459	0.6
97.10112	0.8
102.05475	3.7
105.06987	1.5
107.08533	2.5
109.06499	0.5
109.10114	2.1
117.03294	0.4
119.08559	2.1
121.10114	0.8
123.08044	0.6
123.11654	0.4
125.09615	0.7
130.04971	43.5
133.10088	0.6
137.09601	1.4
139.11156	0.5
145.02837	1.3
146.03192	0.5
148.06085	0.8
151.11235	0.7
177.05515	2.0
178.05804	0.8
182.15373	1.4
249.22342	0.7
277.21542	5.2
277.24051	0.4
295.22665	5.8
349.63049	0.4
396.27228	0.6
442.28033	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	442.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10123	0.7
53.00252	1.2
55.05450	6.4
55.29829	0.8
57.03373	13.5
57.07012	49.2
66.65052	0.7
67.05438	6.7
69.07001	7.5
70.06502	0.9
71.08186	1.2
71.08551	29.5
81.06982	11.1
82.22466	0.8
83.08537	7.2
85.10110	14.5
85.74234	0.7
89.05941	1.3
92.10265	0.9
95.08529	13.1
97.10102	3.2
109.10072	6.1
112.99966	100.0
121.10068	0.8
123.11639	3.8
125.89458	0.9
131.01021	0.8
154.44106	0.7
169.02576	65.9
187.03609	1.5
257.24802	1.0
283.16690	1.6
313.27313	62.3
314.27820	0.9
407.25446	11.9
415.07608	0.9
430.85983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81122	1.6
55.05442	7.0
57.03366	8.4
57.06764	1.9
57.07013	22.7
64.98845	1.6
66.81799	1.5
67.05424	12.4
69.06979	10.3
71.08551	13.0
79.05402	11.1
80.53719	1.5
81.06969	16.0
83.08541	3.4
85.10113	10.3
91.05411	27.9
92.10153	2.9
93.06960	10.4
95.04885	3.5
95.08514	17.8
97.10093	2.9
101.12283	1.8
105.06968	2.1
105.11558	1.5
107.08569	3.0
109.10098	6.9
112.99960	61.7
114.51854	1.5
119.04911	28.4
121.06471	2.0
123.04388	33.4
123.11651	2.4
136.07553	100.0
137.13074	1.7
147.04390	14.9
165.05455	39.6
169.02547	38.4
182.08072	37.7
224.39325	1.9
228.98497	2.4
230.96559	8.4
239.23640	2.0
244.98154	6.4
248.97749	2.1
296.61462	1.7
311.06976	1.5
313.27322	29.2
357.64017	1.7
377.14713	12.1
401.14749	2.3
407.25351	3.1
419.15521	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	442.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08711	0.9
53.00248	1.3
53.03909	0.9
55.05445	4.6
55.66900	0.8
57.07012	31.4
62.99973	100.0
67.05437	4.2
69.06995	7.4
71.08546	23.1
71.11156	1.0
72.33434	1.2
73.06463	1.4
74.45647	0.9
79.05402	1.2
81.06969	5.1
83.08538	4.1
85.10107	9.7
89.05956	20.4
91.05398	1.1
92.10320	1.3
93.06967	3.7
95.04880	1.1
95.08541	4.2
105.06978	2.1
107.02562	22.1
107.08543	2.0
109.10094	4.8
119.08541	1.9
133.08554	1.6
135.11642	1.6
142.44315	1.1
145.10147	1.0
146.03110	1.0
147.11688	1.6
151.05190	13.1
182.44006	1.1
188.15039	1.0
195.07784	7.0
222.79015	1.2
230.22630	1.1
239.10272	1.2
257.11404	13.0
257.24503	1.5
358.09491	1.0
425.30014	1.6
442.32898	1.6
443.32291	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	3.4
57.07015	1.2
67.05434	9.5
69.06991	12.4
70.06505	1.5
79.05433	6.1
81.06980	33.5
82.07289	2.4
83.08532	1.1
91.05395	3.0
93.06976	8.7
95.08538	12.5
96.08881	0.7
105.06977	4.4
107.08532	6.3
109.10121	11.8
116.07047	1.1
119.08537	5.3
121.06463	11.7
121.10098	4.4
122.07296	0.9
123.11615	1.2
124.12009	1.1
125.05943	0.7
133.10094	0.9
135.08109	2.5
135.11676	3.5
136.08813	13.3
137.09589	16.3
137.13237	1.0
138.10100	0.6
149.09619	3.7
149.13232	2.5
151.07539	3.5
159.11688	0.8
161.13240	1.1
163.11140	0.7
164.08315	22.3
165.09085	100.0
166.09438	6.5
173.09552	0.9
174.10286	1.3
177.09103	3.2
188.08185	0.7
189.09053	5.2
191.10638	6.5
191.17973	0.7
199.11269	0.7
203.10638	19.4
204.11168	0.8
205.12201	9.2
206.12570	0.7
217.12044	1.3
220.14592	0.7
221.22379	0.7
232.14459	0.9
245.15358	0.9
257.27182	0.6
259.24353	0.6
267.60092	0.8
295.33029	0.7
325.32922	0.7
353.98428	0.6
424.33279	27.9
425.33627	1.5
443.33273	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	443.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03952	2.5
56.96492	3.8
70.06503	6.7
83.59971	2.5
91.05406	6.9
97.54181	3.0
109.92959	2.9
119.04901	4.3
121.70567	2.6
133.93864	3.1
139.34848	3.2
139.74144	3.1
143.26428	2.8
145.02812	16.8
146.05937	3.8
147.04385	19.1
162.45667	3.0
172.54140	2.6
173.90723	3.1
175.03922	4.7
177.05415	14.3
187.98920	3.1
202.04012	2.8
221.04437	4.6
435.36603	2.9
443.11331	4.0
443.16760	100.0
443.25171	27.9
443.75183	4.1
444.16885	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49751	0.8
55.01792	0.9
55.05449	3.1
56.04971	3.7
56.96493	1.2
57.03373	0.8
60.04461	0.7
66.81106	0.8
69.03339	2.0
70.06508	12.7
71.89681	0.9
72.08073	32.7
73.02806	0.9
75.05495	0.9
81.03331	1.4
83.06026	1.9
84.04423	6.1
84.08054	5.3
85.02807	1.4
86.09605	1.4
87.04411	0.9
91.05392	3.3
97.02790	4.6
98.05959	3.5
99.04374	1.4
100.03858	1.2
105.06984	1.8
107.04890	1.7
108.33762	0.9
109.02816	1.8
110.07125	9.4
114.28683	1.0
115.08662	2.9
116.98553	2.0
119.04903	1.0
120.08060	1.3
121.02816	3.5
126.21069	0.9
127.03892	1.3
130.05003	0.9
130.06506	1.1
130.85764	0.9
131.04886	18.5
132.08005	1.1
133.06483	8.8
137.05939	5.3
141.06972	1.7
145.02805	3.5
145.06435	1.4
146.05969	3.8
147.04393	3.6
147.06303	1.5
151.03853	1.3
154.08586	3.9
156.07632	1.3
159.04399	6.2
160.07539	5.2
161.05952	3.9
162.05444	4.9
163.05862	1.0
168.05630	10.3
169.06477	10.7
177.05481	4.6
185.05861	1.0
186.06880	0.9
187.03918	6.6
188.07050	16.2
196.05177	9.6
197.05948	12.2
198.54045	0.8
204.06502	5.6
214.06238	5.2
216.06505	5.2
229.08557	100.0
230.08879	4.5
234.07526	4.7
258.11102	10.7
275.13794	5.8
288.12100	1.4
292.07263	1.0
293.07932	1.1
382.16422	1.8
399.18930	10.4
400.19385	1.1
443.18124	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	443.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49751	0.8
55.01792	0.9
55.05449	3.1
56.04971	3.7
56.96493	1.2
57.03373	0.8
60.04461	0.7
66.81106	0.8
69.03339	2.0
70.06508	12.7
71.89681	0.9
72.08073	32.7
73.02806	0.9
75.05495	0.9
81.03331	1.4
83.06026	1.9
84.04423	6.1
84.08054	5.3
85.02807	1.4
86.09605	1.4
87.04411	0.9
91.05392	3.3
97.02790	4.6
98.05959	3.5
99.04374	1.4
100.03858	1.2
105.06984	1.8
107.04890	1.7
108.33762	0.9
109.02816	1.8
110.07125	9.4
114.28683	1.0
115.08662	2.9
116.98553	2.0
119.04903	1.0
120.08060	1.3
121.02816	3.5
126.21069	0.9
127.03892	1.3
130.05003	0.9
130.06506	1.1
130.85764	0.9
131.04886	18.5
132.08005	1.1
133.06483	8.8
137.05939	5.3
141.06972	1.7
145.02805	3.5
145.06435	1.4
146.05969	3.8
147.04393	3.6
147.06303	1.5
151.03853	1.3
154.08586	3.9
156.07632	1.3
159.04399	6.2
160.07539	5.2
161.05952	3.9
162.05444	4.9
163.05862	1.0
168.05630	10.3
169.06477	10.7
177.05481	4.6
185.05861	1.0
186.06880	0.9
187.03918	6.6
188.07050	16.2
196.05177	9.6
197.05948	12.2
198.54045	0.8
204.06502	5.6
214.06238	5.2
216.06505	5.2
229.08557	100.0
230.08879	4.5
234.07526	4.7
258.11102	10.7
275.13794	5.8
288.12100	1.4
292.07263	1.0
293.07932	1.1
382.16422	1.8
399.18930	10.4
400.19385	1.1
443.18124	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	443.1894
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
53.03864	3.7
55.05446	5.1
57.03357	3.6
67.05423	7.1
67.67506	3.0
69.03347	20.8
70.06510	6.4
71.04910	12.9
72.08060	15.4
76.55817	3.1
79.05398	6.7
81.03368	10.8
81.06997	4.4
83.04903	7.3
85.02814	22.1
86.09636	3.9
91.05408	24.7
93.06963	14.5
95.04886	21.2
95.08517	3.9
97.02818	16.6
97.06447	39.6
101.05961	4.7
101.38007	2.9
105.06969	20.6
107.04860	4.7
107.08530	18.7
109.02821	14.1
109.06478	6.7
111.04353	4.8
111.08041	7.4
117.03354	4.4
117.06933	4.4
119.04867	4.8
119.08515	27.6
121.06444	14.8
121.10062	4.2
123.04443	4.5
124.03882	3.2
129.87439	3.3
131.08574	25.2
133.10104	16.5
135.07071	5.1
135.08026	100.0
137.05940	20.2
139.07582	22.6
143.08536	4.3
145.02846	6.7
145.10101	7.7
146.05951	7.1
147.04381	8.1
147.08009	5.2
149.05986	4.7
149.09595	5.5
151.07481	3.9
156.09294	16.4
159.08032	23.0
159.11650	29.4
162.05449	88.0
163.05800	43.2
163.07501	16.6
171.11629	17.9
172.08826	17.1
173.09598	17.1
177.05397	6.2
177.09111	3.9
184.08801	5.7
187.11142	62.1
189.12729	7.1
199.11186	30.8
203.10562	14.2
208.05925	4.1
215.10719	31.4
217.12183	16.0
227.10663	18.0
233.11624	54.9
233.13499	3.3
234.04721	3.1
245.11649	37.3
263.12729	28.4
441.89142	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	443.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.9
55.05435	1.0
56.04963	0.2
56.23664	0.1
57.03381	0.2
61.80598	0.1
65.42149	0.1
69.03345	2.9
70.01637	0.2
70.06509	0.7
71.04898	1.0
71.06834	0.2
72.04422	0.2
72.08065	0.4
73.06469	2.8
79.05410	0.2
81.03332	4.6
84.08054	0.3
85.02834	2.0
86.09606	0.3
89.03831	1.0
91.05396	0.8
92.10922	0.2
97.02815	2.7
98.05958	0.4
99.04386	1.7
101.05962	3.7
109.02827	5.0
115.05424	0.2
117.03336	3.0
117.05692	0.9
117.98196	0.2
118.06519	0.4
119.04878	0.4
120.08012	0.3
124.03854	0.2
127.03876	6.1
128.04878	1.1
129.10193	0.3
130.06502	1.0
132.04453	1.2
135.04358	0.3
136.05193	0.3
136.06189	0.4
137.05968	0.2
145.02818	9.6
145.04706	0.2
146.05986	100.0
147.04376	1.1
147.06352	1.2
149.05956	1.0
150.09137	3.5
151.07523	0.3
162.05479	0.3
163.03899	0.3
174.05470	13.2
177.05435	12.3
178.08617	2.7
181.08582	0.7
184.91119	0.2
192.06514	8.9
222.11212	7.5
234.07541	0.2
235.07483	0.2
246.07549	0.2
254.08098	0.2
300.08487	1.3
304.11707	1.0
318.09659	4.1
336.10626	2.4
390.15399	5.2
443.22089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96513	1.8
58.52007	1.7
69.03339	4.3
70.06518	7.7
72.08065	7.0
81.03311	2.2
84.08064	4.2
85.02809	3.1
86.09627	2.7
86.20653	2.0
88.44212	1.9
91.05393	12.8
95.08544	2.4
105.03377	2.2
105.06953	2.8
119.04901	10.3
122.03591	4.2
124.03854	3.0
127.03924	2.9
130.06471	9.2
130.35626	2.0
132.66452	1.9
135.08017	4.0
137.05952	90.5
145.02835	4.7
145.06485	3.0
146.05991	47.7
147.04387	24.3
149.06026	2.8
151.03908	4.9
158.03581	2.4
161.05977	9.8
162.05479	4.5
162.06750	3.1
173.05959	8.7
174.05518	3.1
177.05414	3.6
178.07726	2.7
186.03134	2.8
187.11160	2.4
189.06924	3.5
192.06560	3.4
201.05435	69.4
201.07097	3.8
202.05756	2.8
205.06487	12.6
206.07326	11.8
207.06158	2.1
213.05447	3.5
217.06439	3.7
218.07199	4.3
231.06255	3.1
233.05974	13.2
234.06653	43.6
235.07317	10.2
237.09103	3.9
240.27414	2.4
245.05920	9.6
247.07623	2.8
249.09149	16.4
251.06952	4.8
259.07309	3.7
261.05313	2.6
262.06177	36.5
263.06870	11.0
264.07718	3.5
265.08533	11.3
273.05438	10.7
274.06085	2.7
276.07651	3.7
277.08588	44.8
278.05600	3.3
278.08966	2.5
279.06592	10.0
287.07178	6.8
290.05655	59.5
291.06531	2.9
292.07126	9.4
293.07886	10.8
294.08710	4.5
295.09497	3.6
305.08017	72.5
306.08444	3.9
307.06146	4.3
307.09647	14.1
309.11127	2.7
310.08405	2.2
319.09723	5.0
322.08188	7.9
325.10635	14.2
337.10638	100.0
338.11206	2.6
355.11758	34.7
380.90366	2.0
443.22028	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	443.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	5.9
56.96244	1.3
56.96505	30.4
67.05421	2.5
69.43264	1.0
69.60071	1.0
71.04891	1.7
71.30056	0.9
71.95177	1.4
81.06978	4.0
83.08540	2.0
84.04432	5.0
84.95960	1.3
92.10932	3.6
93.06966	1.7
95.08541	4.5
97.11576	1.1
98.97514	1.8
105.06941	2.3
106.64262	1.2
107.08521	1.5
110.97527	1.4
115.97793	1.7
116.98590	4.2
119.08529	1.2
128.98558	9.1
130.04973	1.9
131.75917	1.0
140.25963	1.1
146.99652	14.8
160.00424	2.1
161.01189	5.1
165.00668	2.1
173.13277	1.7
182.15469	1.3
185.04826	2.0
185.13255	1.4
187.02766	1.3
189.04346	1.9
199.06383	1.8
201.08044	1.3
203.05917	7.2
211.02731	8.3
211.06396	2.6
213.07947	5.7
214.05070	4.3
215.05748	1.5
216.06763	1.4
217.07410	12.6
218.66220	1.2
222.07674	1.2
225.04347	6.9
225.07976	6.1
229.03802	5.2
229.07399	13.2
231.08980	12.8
232.06165	4.8
239.05894	1.6
239.09605	1.8
243.05382	2.5
243.08995	10.0
247.08464	19.1
251.09457	4.8
253.10968	4.7
255.08971	5.5
257.10553	4.1
265.11093	8.0
268.09781	7.3
269.10519	18.5
271.12216	2.8
273.10080	4.6
283.12112	60.9
284.12289	2.4
286.10883	7.4
287.11728	10.7
301.13110	27.5
306.13693	2.8
317.17886	2.3
333.17236	17.2
335.18842	15.0
346.81049	1.6
351.18356	42.9
351.22672	1.4
352.18683	1.3
353.19797	5.7
355.55658	1.3
365.19818	4.3
369.19568	9.2
374.19894	1.7
383.20941	67.0
384.21326	2.3
401.22018	100.0
402.22559	2.4
411.99667	1.1
424.23581	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93482	3.1
55.05447	6.9
56.96500	34.9
62.17636	3.1
67.05419	6.7
69.06971	2.9
81.06976	3.7
109.10180	4.2
113.21174	3.6
121.08658	4.0
122.46313	3.4
146.38124	3.6
146.99658	7.4
173.04869	5.4
199.06371	7.5
211.06401	3.5
213.07956	4.4
217.07440	22.9
229.07394	62.4
231.09004	8.5
243.08934	5.2
247.08450	87.8
253.10893	4.9
259.12097	14.0
263.58987	4.9
269.10495	29.7
287.11566	18.5
333.17416	20.3
335.18634	5.1
351.18295	56.3
352.18668	4.2
353.19904	7.8
369.19287	20.7
376.05151	3.6
383.20926	100.0
384.21448	4.6
401.22028	68.5
424.24060	4.1
465.66223	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	443.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04935	3.0
70.06499	6.8
78.48791	4.4
79.05418	3.4
81.03304	6.3
84.08066	72.4
85.08389	5.6
89.03834	17.5
91.05399	5.2
93.06960	4.2
107.08577	3.9
109.02813	9.3
116.07043	8.6
117.03335	41.3
118.03699	5.3
119.04900	4.1
127.03968	3.7
130.06477	32.8
130.08609	52.8
133.03461	4.4
135.11688	4.4
145.02855	95.1
146.03140	7.2
147.04405	7.7
149.05940	14.6
161.02835	5.9
177.05457	100.0
178.05772	6.7
200.86270	3.8
277.69711	3.8
443.23978	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96199	0.4
53.72953	0.4
55.05437	1.0
56.27929	0.5
57.07011	6.8
63.13314	0.4
67.05404	2.3
69.06967	2.1
70.45047	0.5
71.08536	3.4
81.06967	3.2
83.08539	0.9
85.10099	1.8
86.09631	4.2
87.09965	0.6
91.05395	1.1
92.10323	0.9
93.06960	0.9
95.08542	3.6
105.06961	0.5
107.08534	0.8
109.10099	2.1
115.05397	2.1
117.05686	0.9
117.07001	0.8
118.06499	19.1
130.06488	25.9
131.06831	5.3
132.08055	22.1
135.11658	0.5
137.13239	0.5
141.05690	0.5
142.06522	4.8
143.07268	2.4
144.04474	0.6
144.08057	17.6
146.05984	84.3
147.06351	1.1
159.09146	48.1
160.07545	2.8
160.09439	0.7
161.13284	0.6
165.59088	0.5
169.07516	0.7
170.05960	12.1
171.06375	0.5
187.06281	4.7
187.08696	1.0
188.07025	100.0
189.07343	1.9
205.09700	20.7
223.02950	0.6
397.31952	3.7
442.32571	0.6
443.33295	18.4
444.33640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3519
Annotation	Topsentisterol A1
Peak:m/z	Relative Intensity
50.67768	1.4
55.05448	7.5
57.07010	6.7
67.05431	2.9
69.06987	10.4
71.08532	3.0
79.05426	3.9
81.06985	9.0
81.75032	1.6
83.08560	3.2
85.10084	2.5
91.05405	3.6
93.06973	13.0
95.08539	6.8
97.10131	1.8
105.06956	7.3
107.08544	6.7
109.10088	1.9
117.07006	2.9
119.08485	1.6
121.06491	3.7
121.10150	2.9
131.08511	2.5
133.10081	2.5
135.08034	2.2
145.10172	2.7
146.72437	1.6
147.11723	2.8
149.09521	2.0
159.11769	1.8
161.09419	1.7
169.10132	2.3
183.11679	2.7
197.13210	2.0
201.12766	2.9
211.14917	3.3
212.63127	2.0
220.63760	1.6
239.17934	1.6
257.19073	1.9
261.18555	10.7
261.91745	1.7
275.16397	8.3
317.24698	17.8
443.34372	100.0
444.34567	8.1
447.61093	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00260	2.4
54.81794	3.1
55.05449	11.6
57.07009	4.5
67.05427	16.4
69.06999	30.7
69.17869	2.4
79.05421	12.2
81.06977	52.1
81.96250	3.2
82.00191	2.6
90.91563	2.7
91.05395	5.3
93.06972	26.9
95.08540	40.5
97.10091	3.3
105.06990	13.0
107.08560	26.3
109.10087	21.9
119.08537	16.3
121.10101	16.0
123.11653	12.2
131.03667	3.2
131.08585	3.0
133.10144	12.6
135.11668	10.2
137.13252	3.0
137.14893	2.8
145.10146	5.6
147.11603	4.3
149.13248	6.4
159.11696	4.3
171.56351	2.7
175.14677	3.3
177.16347	6.2
215.17757	3.2
270.94922	3.1
278.18192	3.1
425.37735	6.6
443.33350	100.0
443.38669	8.3
444.33542	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	443.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	21.9
56.88013	3.2
57.07000	4.7
59.07259	3.3
60.99516	3.2
67.05418	40.3
69.06988	47.2
71.04904	4.2
79.05401	30.5
81.06977	61.2
83.08542	22.2
91.05402	15.2
93.06967	53.5
95.08527	60.4
97.10123	3.9
105.06966	24.6
107.08552	42.5
109.10110	38.4
111.11684	5.3
119.08508	30.8
121.10081	34.5
123.11662	14.8
131.08537	7.4
133.10083	24.2
135.11644	29.1
137.13239	7.1
145.10101	6.6
147.11687	23.4
149.13225	17.3
159.11719	6.3
161.13077	4.2
163.14807	4.5
173.13217	6.4
176.26384	4.2
201.16286	5.7
203.17961	5.7
217.19612	5.0
257.35794	3.6
333.58942	4.2
425.37326	5.4
443.33304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69769	6.6
55.05447	14.4
57.06994	14.0
58.87070	7.1
67.05416	13.9
69.06968	35.6
71.04900	9.9
76.41983	8.3
79.05409	9.8
81.06961	51.2
93.06952	44.6
95.04785	9.8
95.08533	100.0
105.06960	17.1
107.08512	54.4
109.10114	49.8
116.67912	8.7
119.08556	20.1
121.10096	64.5
123.11648	18.1
133.10072	41.6
135.11629	20.8
145.10085	14.0
147.11647	16.9
149.13293	14.3
151.71967	8.3
161.13254	18.1
163.14777	14.3
191.17897	53.0
192.80428	9.3
203.17964	11.1
217.19362	10.7
256.63461	10.2
314.27435	13.7
341.68738	10.2
406.14108	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	444.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96466	0.4
66.59988	0.4
69.03346	9.3
70.06500	2.4
72.08065	0.9
73.02807	0.4
75.29685	0.6
81.03320	0.5
84.08115	0.5
85.02820	1.2
85.90086	0.4
86.09605	0.7
89.03850	3.5
91.49314	0.5
92.10535	0.7
94.03963	0.5
94.38194	0.5
95.08558	0.6
97.02828	2.5
110.07079	0.6
115.21892	0.5
117.03337	18.0
119.03509	1.0
134.03596	0.8
134.99588	0.5
135.04396	2.7
136.06161	100.0
137.04575	1.1
137.06572	0.7
145.02827	59.5
146.03154	1.0
146.05991	1.0
147.04388	1.9
149.05966	6.8
151.03954	0.5
161.44379	0.5
163.03906	1.7
177.05437	68.8
178.05833	1.0
186.05403	0.6
195.06480	0.9
204.63885	0.5
206.27351	0.5
212.22914	0.5
225.58290	0.5
229.12341	0.5
247.13452	0.7
282.02609	0.6
308.44086	0.6
309.09644	37.4
310.09952	0.6
364.24078	0.5
444.14893	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	444.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23265	0.7
53.03878	3.8
55.01814	3.8
57.03372	7.0
58.06514	0.8
61.02858	10.2
62.47518	0.9
69.03352	22.4
69.06998	1.7
70.06509	4.3
71.04894	2.0
72.08077	1.2
73.02840	12.5
81.03345	8.4
84.04449	1.3
84.08069	1.3
85.02830	100.0
86.05964	1.0
86.09639	1.9
87.04397	1.2
91.03875	2.3
92.10268	0.9
95.01264	15.2
97.02820	30.8
97.06467	0.9
99.04404	5.4
101.02301	1.5
103.03880	1.4
109.02839	9.5
113.02370	1.9
115.03893	2.2
121.02837	1.7
121.06472	1.6
124.22523	1.1
127.03880	22.3
136.06113	1.0
141.01807	30.6
141.62561	0.9
145.04956	28.8
146.05966	1.1
147.04366	2.0
150.05461	8.2
159.02902	4.2
162.05479	36.1
162.91711	1.0
163.05984	13.6
187.11217	1.3
190.04948	3.7
201.12527	1.2
260.45621	1.0
265.14227	4.8
267.90347	1.3
385.81534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3105
Annotation	Yibeissine
Peak:m/z	Relative Intensity
53.17027	0.6
54.59188	0.7
55.05445	3.3
55.65126	0.6
57.07018	0.7
67.05425	13.1
69.06980	4.4
79.05393	3.1
81.06974	9.3
83.08573	1.4
88.07520	0.8
89.77742	0.8
91.05405	20.1
93.06976	1.9
95.04889	5.5
95.08528	8.5
105.06988	1.0
105.08736	1.0
107.08508	0.9
109.10110	1.8
113.07133	0.6
117.02426	0.8
119.04886	28.1
121.06464	1.2
123.04379	28.6
136.07545	100.0
144.30411	0.8
147.04364	14.2
150.37726	0.8
165.05432	42.3
182.08093	31.2
184.09753	1.0
398.30426	1.8
444.40356	3.0
460.99936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39441	0.3
53.03881	0.4
55.05443	3.0
56.96495	0.8
57.41224	0.3
62.44331	0.4
67.05422	2.2
69.06981	10.6
72.28490	0.4
77.31164	0.4
79.05396	2.4
81.03337	1.0
81.06966	2.3
83.08540	1.0
84.95955	2.0
85.02793	0.5
86.09626	100.0
87.09949	0.6
89.03832	7.2
91.05412	1.7
92.10953	1.0
93.06945	1.5
95.04861	0.9
95.08531	2.0
97.10122	0.8
98.97496	0.8
107.04883	0.7
107.08543	0.9
107.28249	0.5
109.02830	1.0
109.06458	0.4
116.98552	1.0
117.03323	14.6
119.08615	0.5
121.10092	0.9
124.05154	0.4
125.09585	1.7
132.10170	17.2
134.03539	0.5
134.99596	0.9
135.04382	4.3
145.02821	25.9
147.04367	0.6
149.01187	0.6
149.05983	4.6
163.03857	7.8
165.09033	0.4
169.05090	0.4
177.00717	2.8
177.05432	23.8
183.43509	0.4
186.05484	0.6
189.11116	0.5
201.00641	0.5
221.09564	0.5
228.19585	1.0
233.09686	2.9
237.00623	1.0
255.01628	1.0
273.02661	0.9
277.21567	3.2
287.04327	0.5
295.22650	2.0
366.14880	0.6
408.31082	1.0
419.06332	0.7
426.32281	3.2
437.49554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87686	0.2
53.03878	0.4
55.05446	0.3
59.06053	0.5
65.03859	0.2
67.05423	0.3
69.03346	2.0
70.06509	1.3
71.04919	0.4
72.08070	0.6
81.03336	4.3
84.04414	1.2
84.08047	0.6
85.02387	0.2
85.02823	2.3
86.09630	1.7
90.00185	0.2
91.05403	8.9
92.64381	0.3
97.02827	4.5
98.06035	0.3
98.97551	0.3
105.21390	0.3
105.97208	0.2
109.02814	2.1
110.06020	0.5
110.07121	0.6
113.39796	0.3
119.04899	29.9
120.05251	0.5
120.08016	0.5
121.02831	2.0
124.03902	0.3
127.03909	0.3
130.05040	0.3
142.58937	0.3
145.02832	1.2
146.05949	0.4
147.04391	100.0
148.04726	3.2
151.03879	1.5
155.20848	0.2
162.05443	3.4
163.03851	1.2
165.05449	2.9
177.05424	1.2
178.74342	0.4
237.02713	0.4
265.07397	0.3
291.08643	1.9
309.09613	2.9
370.59784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81221	0.8
53.03870	1.7
55.01820	7.9
55.05220	1.4
55.05453	21.5
57.03371	16.6
57.06999	3.9
61.02854	12.4
64.74366	0.8
65.03863	1.1
67.05428	38.4
67.69978	1.0
69.03350	100.0
69.06982	11.0
71.04915	7.3
72.08085	1.3
73.02811	4.3
77.50539	0.9
78.64856	0.9
79.05401	8.2
81.03333	14.8
81.06970	34.3
83.04437	2.1
83.04900	40.2
83.08553	8.1
84.33792	0.9
85.02345	1.5
85.02828	30.3
87.04370	6.9
91.03872	1.6
91.05408	8.0
92.10894	2.0
93.06966	10.9
95.04904	1.3
95.08528	24.6
97.06448	1.3
97.10071	2.1
99.04388	12.4
103.03889	1.8
105.06968	5.0
107.08537	5.4
109.10085	7.8
111.04388	21.7
119.08527	5.8
121.10117	7.1
123.11661	4.1
129.05441	32.3
133.10112	5.3
135.11633	1.2
137.13202	1.0
147.06520	11.3
147.11621	1.9
149.13228	1.4
150.05692	1.0
165.07501	5.1
175.14767	1.4
205.61867	1.0
205.67659	1.0
216.65771	1.0
220.48901	1.2
245.22565	7.6
253.37978	1.1
263.23657	6.7
409.29410	13.1
427.30682	1.5
431.58270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
50.77591	3.8
54.81781	5.8
55.05450	20.3
57.07008	28.4
67.05435	10.5
69.06988	31.0
71.08524	17.9
79.05381	11.2
81.06979	47.6
83.08540	20.1
84.73559	5.1
85.10104	5.9
87.60568	5.1
88.54813	4.1
89.70016	5.0
91.05406	6.6
91.75885	5.2
93.06969	28.1
95.08552	33.9
105.06960	21.0
107.08545	61.5
109.10104	28.2
111.77480	4.5
119.08547	17.9
120.08067	9.1
121.10068	8.3
133.10104	6.8
135.08043	8.6
135.11777	5.5
143.08559	6.0
145.10133	23.3
146.11908	4.7
147.11667	8.0
157.10114	10.4
159.11659	7.5
160.93860	5.4
161.09634	5.7
165.09077	22.6
173.09645	37.1
175.11188	21.0
191.10655	33.2
199.38925	4.4
244.09625	5.6
282.58633	5.4
287.19955	19.4
381.35382	7.7
409.34424	9.6
415.35571	6.1
426.91434	5.6
427.35547	100.0
445.36484	5.6
446.42194	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	446.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15182	0.3
58.06531	6.0
68.04951	0.6
69.03349	12.1
70.06500	0.9
84.04427	0.9
85.02829	0.8
86.05988	31.7
87.04391	94.6
99.31713	0.3
104.07038	100.0
105.07393	0.4
116.07002	0.7
127.03910	0.4
133.05978	0.4
134.08087	0.5
148.06006	0.6
169.78224	0.4
196.25226	0.3
327.41064	0.4
442.40894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22981	0.2
54.81812	0.2
56.40017	0.2
56.96507	0.2
60.42236	0.2
63.57837	0.2
64.33510	0.3
69.06979	0.6
70.06500	0.3
74.37304	0.2
79.05417	0.3
84.04413	0.3
84.08060	0.3
85.02853	0.6
87.08010	0.3
91.05415	0.4
93.06954	1.5
97.02815	0.3
99.04460	0.3
103.05399	4.8
106.13778	0.3
107.04893	2.2
116.98650	0.3
120.08060	100.0
121.02834	0.5
121.08399	2.0
122.03265	0.3
131.04893	2.6
136.06070	0.4
149.05956	1.4
162.98604	0.2
166.08603	23.2
167.09019	0.4
237.37263	0.3
292.47119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.2
54.81413	0.2
58.71418	0.2
63.02303	0.3
64.80122	0.2
69.03352	0.3
70.06530	0.2
73.02825	0.4
78.04601	0.3
81.03321	1.5
81.48109	0.2
85.02830	0.4
87.04396	0.2
89.03828	7.0
89.05958	0.5
91.05390	0.9
93.06966	0.3
95.04897	0.2
97.02808	0.3
99.04374	0.3
103.05424	0.3
105.07000	0.3
106.04095	0.3
107.08521	0.3
107.71057	0.2
109.02837	0.3
117.03323	29.0
119.04874	0.4
124.03910	0.3
124.05164	0.4
127.03908	0.3
133.08553	0.2
134.03609	2.1
135.04370	2.6
136.06172	0.3
145.02820	75.9
146.03192	1.0
146.05986	0.3
147.04391	0.8
149.05949	10.9
149.32146	0.3
162.03093	0.2
163.03865	0.8
177.05428	100.0
178.05782	1.1
185.13138	0.2
186.05443	1.2
195.06479	1.2
203.49968	0.2
267.12222	0.9
280.96713	0.2
321.09576	0.3
339.10635	4.0
395.87680	0.2
399.15961	0.2
445.27182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14231	2.5
55.01812	7.1
55.05438	12.6
56.96511	3.1
57.43324	2.7
58.22612	2.5
59.89734	3.0
67.05425	45.8
69.03347	12.6
69.06982	12.6
70.06509	12.4
72.08063	7.1
79.05403	34.3
79.83465	3.2
81.03320	16.5
81.06985	27.6
83.04924	4.3
84.04429	7.2
84.08084	7.2
85.02821	19.8
86.09624	10.8
91.05402	53.9
93.06950	17.8
95.04861	6.8
95.08555	27.6
97.02803	7.3
97.06419	4.3
98.97546	3.0
99.04352	3.4
103.05407	4.1
105.06973	38.9
105.92144	3.0
107.04902	5.4
107.08535	55.2
109.02812	12.6
109.06485	3.3
109.10112	81.2
111.04391	4.0
113.27224	3.1
116.98624	3.7
117.03348	4.6
117.06948	7.4
119.04891	16.0
119.08553	31.9
120.08047	16.7
121.06444	7.6
123.04387	18.7
123.08022	5.2
124.03911	14.3
125.05956	6.6
125.09582	49.7
129.06949	7.7
130.32635	3.0
131.08540	5.3
133.06471	28.0
133.10077	17.7
134.09433	3.1
137.05911	7.2
141.05421	15.8
143.08543	17.7
145.02780	24.3
145.10080	13.5
146.05994	82.7
147.04413	27.8
147.06273	7.0
147.08040	5.0
147.11720	4.5
149.05936	17.0
150.09122	6.0
157.10075	15.2
159.11674	14.4
161.05930	5.9
161.09552	4.2
161.13245	15.3
162.05476	16.4
163.03900	4.0
169.10007	3.6
171.08020	3.3
171.11674	7.1
174.05484	5.2
175.11055	4.7
175.14804	19.3
177.05435	26.6
185.13252	30.2
189.12704	37.3
203.14259	44.5
204.06633	4.0
213.12686	12.4
221.15300	16.3
231.13747	80.8
231.15907	4.1
248.02310	3.9
249.14810	100.0
266.03308	3.5
267.15738	5.6
354.01712	3.3
377.44287	3.7
446.14017	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	446.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	0.7
55.05459	0.8
57.03368	1.8
61.02866	0.8
67.59545	0.7
69.03341	9.9
73.02846	1.1
78.00081	0.7
81.03353	1.2
83.04903	3.0
85.02824	4.5
91.05400	9.6
98.27319	0.9
103.03902	0.8
105.06976	1.8
107.08542	34.8
107.09285	1.2
111.04379	3.1
117.06951	0.8
119.08537	100.0
129.05476	1.8
133.06493	1.4
135.08025	29.6
147.06525	1.3
147.72198	0.8
281.13760	1.3
415.21078	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	446.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87216	2.7
53.00261	2.2
55.01810	3.6
55.05448	21.5
67.05426	19.3
69.06982	13.5
70.02875	32.0
70.06495	3.8
71.08546	4.3
74.02346	44.9
75.96006	2.8
79.05402	13.6
81.06975	26.0
83.04892	4.5
83.08536	18.3
85.02838	3.5
86.54212	3.1
87.05537	10.3
88.03919	80.6
91.05405	19.5
93.06969	27.1
95.04894	7.2
95.08517	16.5
97.06499	4.4
97.10098	10.7
99.08022	3.4
105.06965	14.8
106.59871	3.7
107.08529	5.5
109.06445	4.6
109.10097	4.1
111.08006	3.2
116.03387	16.1
116.98523	5.0
119.08514	6.1
121.06468	3.5
121.10087	3.0
123.08057	3.5
125.09577	6.4
131.08586	3.7
133.06126	3.3
133.10104	3.8
134.04428	16.1
136.06165	100.0
145.02826	6.7
147.04350	5.1
147.11586	4.7
151.11176	6.9
158.99617	4.1
161.13193	4.8
168.86128	3.0
177.05453	12.4
240.78099	3.1
277.21558	37.7
295.22656	13.6
296.68661	3.6
394.32791	3.1
410.25180	11.8
428.26413	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	446.3262
Annotation	Imperialine beta-N-oxide
Peak:m/z	Relative Intensity
55.05449	5.4
57.06982	1.2
58.57674	1.0
67.05424	5.0
68.85620	1.0
69.03382	1.2
69.06984	5.0
76.56455	1.0
79.05407	1.4
81.06967	5.6
83.08519	2.1
91.05409	22.3
93.06950	2.4
93.64930	1.2
95.04865	2.2
95.08530	2.2
109.10138	1.1
119.04885	26.1
121.10086	1.8
123.04379	29.6
135.11656	1.1
136.07552	100.0
137.07887	1.8
146.46857	1.1
147.04393	13.0
149.13239	1.2
165.04045	1.8
165.05440	41.2
166.66290	1.2
182.08090	32.8
241.97801	1.0
307.69745	1.4
446.33304	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	447.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96239	3.3
56.96502	66.9
80.04053	1.9
85.02821	2.6
87.26015	1.8
118.06496	8.7
130.06468	4.8
132.07970	2.6
132.75734	1.9
144.08063	3.3
146.05995	25.5
174.02177	10.0
174.77890	1.9
188.07048	25.3
192.03291	100.0
205.09676	4.7
206.04855	28.9
210.04346	41.5
215.04906	24.5
217.06422	17.9
218.12039	2.3
220.02937	3.3
222.04262	7.0
224.05855	11.8
233.05928	42.7
235.07523	37.6
238.03903	3.4
243.04405	8.5
247.03850	4.0
249.05278	2.1
261.05414	74.0
269.38480	2.1
279.06476	99.7
284.06906	2.4
316.06012	4.9
334.07050	3.0
350.83572	2.0
402.11035	11.8
430.10626	16.6
447.13354	35.2
448.11917	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	447.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72205	0.8
53.03868	0.9
53.53460	0.7
54.81383	0.8
56.96504	0.9
63.22597	0.8
69.03344	4.7
70.06507	4.4
72.08058	4.0
73.02831	0.7
74.35780	0.7
78.73506	0.8
79.05410	0.8
81.03339	3.5
84.04420	2.0
84.08069	3.9
85.02811	5.0
86.09615	1.7
88.29586	0.9
89.03842	7.3
97.02830	1.8
107.04877	1.2
109.02793	0.9
110.93108	0.8
117.03329	7.4
121.02832	0.9
124.03906	1.2
134.48602	0.7
135.04396	25.9
141.27983	0.8
141.56831	0.8
145.02814	17.0
147.04404	1.6
162.05431	4.3
163.03874	100.0
164.04230	1.1
266.03369	1.2
282.03082	1.1
307.07849	1.3
325.09067	3.6
401.87610	0.8
460.89420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	1.5
57.03360	3.5
57.07011	17.4
60.62738	0.6
67.05424	4.2
69.06979	3.7
71.08553	9.9
71.52713	0.7
79.19363	0.7
81.06973	4.2
83.08524	3.1
85.10100	5.1
85.90444	0.6
88.27052	0.7
92.10173	1.7
94.37379	0.7
95.08527	6.4
97.10120	1.2
101.98580	0.7
109.10143	1.6
134.98155	18.8
149.02316	0.7
152.99225	0.9
176.99179	1.1
209.01814	3.7
270.55484	0.7
313.27283	14.5
318.55313	0.8
353.26733	1.6
429.23880	1.4
432.15540	0.8
447.24738	100.0
448.24994	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	447.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09639	2.4
55.05437	16.0
57.03365	18.7
57.07003	2.7
60.05600	2.9
64.28042	2.4
67.05427	65.0
69.06981	13.6
77.66723	2.5
79.05410	48.8
81.06978	66.5
83.08543	5.5
91.05412	22.7
93.06970	51.0
95.08532	64.6
97.06441	2.9
97.93597	2.5
105.06973	16.7
107.08552	30.6
109.10109	14.6
111.87710	2.5
112.99954	100.0
117.06956	5.6
119.08534	12.0
121.10080	17.5
123.11661	3.9
131.08551	14.0
133.06470	11.5
133.10103	11.8
135.08046	3.5
135.11656	12.6
145.10094	11.4
149.02362	3.5
149.13298	4.5
154.14671	2.7
159.11656	3.2
163.11032	2.5
163.14815	2.7
169.02556	16.3
177.05331	2.6
187.03616	3.3
193.05031	3.8
243.20836	8.8
261.22116	12.4
335.25726	73.3
336.25983	3.3
361.99582	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	447.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	25.3
56.96497	5.1
57.03367	26.5
57.06974	3.9
67.05424	73.0
69.03339	5.1
69.06984	8.0
79.05415	42.8
81.06967	76.5
91.05406	28.2
93.06979	50.2
95.08526	74.1
101.06250	5.0
103.05372	5.0
105.06969	11.0
107.08527	31.5
109.10112	21.7
112.99969	85.2
119.08584	6.8
121.10084	24.6
123.11639	6.2
126.98405	4.7
131.08548	10.4
133.06459	100.0
145.10144	5.6
149.02330	9.2
163.76619	4.9
169.02606	7.8
193.04968	7.1
213.75000	4.7
243.20999	7.2
261.22079	7.0
317.24625	6.6
335.25650	69.8
351.18063	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	447.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57405	0.8
53.00252	1.3
53.03875	1.1
54.18457	0.9
55.01826	1.0
55.05455	20.8
57.03375	22.7
57.07012	3.6
62.89812	0.9
63.36160	0.8
67.05430	70.5
68.05755	1.1
68.83404	0.9
69.06991	15.1
71.62251	0.8
76.57128	1.0
79.05412	42.5
79.20673	1.0
81.06982	67.8
83.04903	1.2
83.08538	6.8
91.05409	21.6
93.06976	41.5
95.04884	3.9
95.08537	53.5
97.06456	1.6
97.10096	1.8
105.06985	15.6
107.08549	20.1
109.06491	1.6
109.10113	16.7
112.99973	100.0
117.06995	3.6
119.08504	8.8
121.10094	15.7
123.11651	4.6
131.01024	1.2
131.08530	5.6
133.10086	7.7
135.11649	8.1
145.10112	5.4
147.11652	4.9
149.13234	4.2
159.11574	1.5
161.13225	1.7
169.02583	18.4
172.45776	0.9
173.13213	1.8
175.14810	1.0
187.03725	4.3
243.21039	4.3
259.02222	1.0
261.22012	6.0
280.77423	1.0
317.24707	1.1
335.25754	82.2
336.25989	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	27.2
55.05674	3.3
57.03367	35.3
57.07001	6.9
60.05571	3.5
63.07663	3.0
67.05428	98.4
69.03342	14.0
69.06976	6.5
71.08555	3.5
79.05412	56.4
81.06969	92.5
83.04901	5.7
83.08531	8.2
91.05400	31.7
93.06970	66.8
95.04855	4.1
95.08528	70.4
97.06499	5.4
97.10114	4.1
105.06961	31.6
107.08521	49.4
109.10097	19.3
112.99956	100.0
119.08535	52.8
120.08849	7.0
121.10088	32.2
123.11629	6.1
129.05440	3.3
131.08539	16.4
133.06467	96.2
133.07420	6.1
133.10103	13.6
135.07994	7.4
135.11624	14.5
145.10075	6.3
147.11656	5.2
149.02299	6.3
159.11598	5.8
161.13226	8.2
163.14850	5.3
169.02556	19.5
187.03545	4.2
208.12036	3.7
222.37564	3.7
223.46451	3.7
243.20955	7.1
261.22079	16.5
292.19168	3.6
317.24582	8.3
335.25735	96.8
386.29004	4.0
411.32776	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	447.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07007	8.1
66.98826	3.7
70.06516	6.5
70.71484	4.1
75.74202	4.0
76.51205	4.7
82.68305	3.8
82.98919	5.4
86.50272	4.2
94.44527	4.4
96.33509	4.0
114.10868	5.2
120.46064	4.9
187.03636	100.0
422.06607	4.7
446.41852	10.0
447.28516	73.9
447.42010	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	448.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30715	0.3
53.03879	1.8
55.01799	2.0
57.03370	2.9
61.02846	0.8
69.03345	15.6
71.04890	0.7
73.02824	0.8
78.03365	6.0
80.04913	1.8
81.03335	10.5
85.02822	18.5
92.10305	0.5
96.04399	2.7
97.02822	5.7
98.25624	0.4
99.04383	2.3
106.02856	31.2
109.02827	6.2
124.03905	100.0
127.03863	9.4
129.52280	0.4
129.69087	0.3
136.54202	0.5
145.04910	2.9
146.05898	0.4
157.27345	0.4
159.39128	0.4
162.70364	0.4
193.03728	0.4
216.29170	0.4
232.06026	0.5
250.07065	6.3
268.08084	9.7
275.05832	0.4
286.09134	40.2
343.03519	0.5
389.14426	0.7
394.10986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05301	0.3
54.28485	0.3
55.05442	0.3
57.03371	0.3
61.65795	0.3
62.67382	0.3
62.79572	0.3
63.92337	0.3
69.03350	0.7
70.06521	0.7
72.08083	0.5
77.71946	0.3
81.03346	0.8
81.06991	0.4
85.02834	1.6
86.09634	0.7
89.03855	0.3
91.05402	1.5
97.02811	0.4
111.23308	0.3
113.04198	0.4
116.98565	0.6
117.03316	0.6
119.04936	0.8
124.03908	2.2
127.69472	0.4
135.04427	0.5
145.02774	3.0
146.06012	1.5
147.04430	2.1
149.05994	0.4
161.83411	0.3
162.05498	1.4
163.03902	2.0
177.05394	1.2
214.04810	1.5
238.03853	0.4
257.09906	0.4
282.02954	0.6
316.07870	0.6
376.09735	0.7
418.15451	0.4
448.15710	100.0
449.16135	5.6
467.60138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95062	0.4
55.01803	0.7
57.03362	0.8
60.04455	100.0
69.03341	4.7
69.52715	0.4
70.02840	0.5
70.06509	1.0
72.08054	1.0
73.02824	0.7
74.02361	1.0
81.03358	0.6
81.92231	0.5
84.04430	0.8
85.02828	7.5
86.05975	0.7
87.04385	4.2
88.03912	19.2
88.04726	1.0
97.02821	3.8
101.02310	0.7
104.05263	0.7
104.07059	4.0
105.07378	1.0
106.04968	91.0
107.05269	0.7
109.02809	0.7
116.07040	0.6
120.64676	0.5
124.03892	2.7
127.03867	6.1
133.96751	0.6
145.04941	2.4
238.71370	0.6
259.11679	0.6
267.09067	0.6
370.76764	0.6
386.78360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30973	0.9
54.64812	0.8
56.04973	1.8
56.71042	0.8
56.96497	1.4
60.05593	1.0
70.06499	4.0
71.94734	0.9
81.03337	1.7
83.06062	3.2
84.04428	1.7
84.08057	1.3
85.02847	3.7
91.05415	1.5
95.06044	1.2
98.97542	1.1
105.03355	4.0
106.02875	1.2
106.06508	1.1
109.02714	1.4
111.05505	9.8
116.98498	1.2
120.04430	19.8
122.93510	0.9
123.05456	1.5
123.15497	0.9
124.03030	0.9
124.03947	4.2
126.06603	14.6
127.03838	0.9
127.07410	1.4
130.06520	5.7
132.04431	31.3
134.05983	14.6
134.99745	1.0
137.04626	2.5
146.02370	1.5
151.06154	16.3
158.05971	1.1
162.05501	4.8
168.08755	2.3
185.07156	1.2
187.08598	1.2
202.09760	25.3
210.04366	3.7
216.11317	4.6
220.02701	1.2
228.05469	1.3
230.09149	15.6
232.10881	6.0
238.03885	5.2
242.09123	7.1
244.04848	1.1
248.58333	1.0
254.03351	3.7
256.04910	4.4
257.10306	6.7
259.11853	100.0
264.01755	1.5
268.08276	1.2
277.12973	1.5
282.02795	19.3
283.13361	1.6
284.11450	4.4
301.14035	10.2
302.12451	40.1
319.15176	1.5
406.17120	15.5
408.06036	2.2
426.07135	4.6
448.19333	68.2
449.20074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94040	2.0
57.07010	4.2
60.46562	2.1
62.98177	6.2
69.44852	2.2
70.06494	3.5
83.08500	3.1
83.10977	2.1
85.10989	2.5
87.58938	2.3
94.00308	2.9
94.38930	2.7
95.08549	3.1
95.36523	2.5
112.45803	2.6
447.41913	5.0
448.28009	100.0
448.42392	10.6
449.28162	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	448.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56599	0.5
50.92348	0.4
54.81456	0.6
55.05449	1.2
57.03367	0.5
67.05407	4.2
69.06993	0.6
70.06484	1.2
72.08067	0.5
79.05392	0.8
81.06964	2.3
83.08527	0.6
83.49185	0.5
91.05413	0.6
93.06976	1.0
95.08517	0.6
106.26050	0.6
107.08518	0.8
109.10085	1.3
116.07050	2.3
119.03486	1.0
119.08562	1.3
121.06430	0.9
121.08555	0.5
126.84281	0.6
131.04939	0.9
136.06163	100.0
137.04601	0.9
137.06552	1.1
138.05415	0.6
147.04416	1.3
177.05382	0.9
430.28247	1.0
448.28946	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	448.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44598	0.2
55.01794	0.5
55.05445	1.6
56.96508	0.2
59.15275	0.2
67.05422	3.3
69.03335	0.3
69.06975	1.5
79.05386	1.2
81.06958	1.6
83.08544	0.6
91.05389	1.0
93.06969	1.0
94.03986	0.6
95.08525	1.2
97.10120	0.5
99.62768	0.2
105.06967	0.5
107.08509	0.3
109.10106	1.5
119.03481	1.5
119.04855	0.3
119.08582	0.4
125.09577	0.4
133.06410	0.3
135.11638	0.3
136.06157	100.0
137.04553	1.6
137.06487	1.1
139.11150	1.0
147.04395	1.3
147.11687	0.3
161.05830	0.3
181.12193	0.2
190.73068	0.3
193.53026	0.2
232.13319	0.3
239.53461	0.2
251.58304	0.3
257.03229	0.3
277.21771	0.3
295.22650	1.0
430.27927	0.3
448.29059	19.1
449.29437	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85010	0.1
55.05442	1.2
67.05434	0.3
69.06970	0.5
71.08541	0.3
76.57099	0.1
79.05392	0.3
81.06980	0.3
83.08543	0.3
86.20589	0.1
91.05392	0.3
91.26696	0.1
94.03963	0.5
97.10081	0.7
100.11167	0.3
100.19116	0.1
107.08527	0.2
111.04411	0.2
117.03313	0.3
119.03514	1.1
121.10168	0.2
125.09604	0.3
136.06158	100.0
137.04579	1.7
137.06502	0.7
138.05460	1.2
145.02844	0.8
146.03114	0.2
147.04369	0.2
177.05447	0.9
311.45850	0.1
313.43518	0.1
448.28986	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	448.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03977	1.1
55.05438	1.1
57.07009	14.7
57.18057	1.0
58.06525	2.4
67.05408	1.4
69.06968	2.1
70.06142	1.2
70.06507	24.9
71.08537	6.2
77.02778	1.1
79.65829	0.9
81.06972	1.9
85.10104	1.4
88.07545	26.9
88.08047	1.6
89.07363	1.0
91.05386	2.1
93.06963	1.2
95.08533	2.4
102.09113	22.1
104.02534	2.0
105.06973	1.1
107.08496	1.0
112.99959	5.5
115.02604	1.2
119.04879	4.0
132.02029	20.1
135.12573	1.1
136.01552	13.1
147.04391	48.5
148.05147	4.1
149.02266	1.4
169.02591	1.9
175.03871	69.9
176.04555	2.0
180.04115	14.8
190.00204	1.1
191.07019	4.8
193.04900	2.6
219.06485	100.0
220.06813	1.7
256.26294	53.3
301.62988	1.3
337.20691	1.2
337.27292	1.8
448.30472	76.1
449.31186	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91172	0.8
56.86958	0.8
61.56399	0.8
66.53454	0.9
67.05421	2.4
69.14870	1.0
79.37769	0.9
89.25612	1.0
109.10091	1.7
117.70901	1.1
119.08511	1.4
121.06454	12.7
122.07275	1.3
136.08803	17.3
137.09555	18.7
164.08296	30.7
165.09071	100.0
205.12198	4.8
312.72516	1.1
430.37973	43.0
431.07437	1.1
431.38080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	6.1
67.05408	4.5
69.06959	4.0
81.03331	6.6
81.06979	6.3
81.37971	4.2
82.28855	3.4
84.04433	7.1
86.09618	8.1
86.18910	3.6
91.05381	5.1
91.26017	3.3
93.06918	4.6
98.14565	4.0
100.98823	4.5
107.08527	4.6
109.02880	4.2
116.01591	4.2
119.04916	5.5
124.03859	3.7
132.92856	3.9
145.02802	4.9
147.04375	28.3
177.05496	6.6
301.15768	4.8
330.94174	4.6
429.15356	7.4
449.14438	100.0
450.15134	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05042	1.3
54.89364	1.2
55.05451	12.2
57.07011	42.9
62.99807	1.4
63.12590	1.3
65.03858	10.9
67.05426	2.5
69.03343	1.6
71.04881	2.0
71.08564	1.5
78.01283	1.7
81.03337	2.6
81.06963	3.0
83.04896	100.0
91.05392	14.8
93.06979	2.1
98.98377	10.9
105.06943	2.2
107.04906	1.6
119.08527	2.0
129.06963	2.1
134.50668	1.5
136.06126	6.9
141.06976	6.3
147.07962	1.8
147.11642	9.0
151.01508	12.0
159.08032	3.3
163.01511	8.6
175.01559	13.1
187.01581	1.6
227.04590	7.1
260.98956	1.9
337.02277	65.4
367.33301	1.5
393.08521	73.9
394.09061	2.8
449.14661	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	449.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	1.1
53.03879	1.4
55.01817	1.3
55.05450	37.2
57.03373	27.2
57.07003	5.9
65.03861	1.3
67.05424	64.8
69.06988	35.9
71.08556	1.3
76.56041	1.1
79.05407	19.2
80.55521	0.9
81.01566	1.0
81.06973	67.0
81.07449	2.5
83.08530	18.6
85.06463	1.2
91.05401	13.7
93.06956	17.7
95.04898	1.2
95.08531	52.1
97.06451	4.1
97.10092	6.8
105.06969	8.8
107.08547	10.3
109.10117	16.5
112.99960	86.4
119.08541	5.2
121.10117	5.6
123.11636	4.8
131.00964	1.1
133.10109	2.4
135.11618	1.7
137.51817	1.1
138.74017	1.0
147.11674	1.6
149.13194	1.5
167.08823	1.4
169.02562	23.1
187.03546	1.8
221.77307	1.1
221.79778	1.2
241.28351	1.2
245.22641	1.7
263.23682	4.2
284.72656	1.1
323.88983	1.3
337.27295	100.0
338.27536	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	449.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00685	1.0
53.03874	1.6
55.05189	1.6
55.05450	41.5
57.03136	1.5
57.03375	23.6
57.07005	4.7
65.03865	1.1
66.62044	1.0
67.05424	68.1
69.06987	39.1
71.08529	1.8
76.41928	1.0
79.05404	18.3
81.06972	72.2
83.08530	15.8
85.06470	1.1
91.05405	13.9
92.11433	1.0
93.06963	17.6
95.04855	1.4
95.08530	53.0
97.06452	1.8
97.10092	6.0
105.06991	7.5
107.08515	7.3
109.10094	14.3
111.08005	1.8
112.99961	85.3
119.08504	3.9
119.61121	1.1
121.10109	4.7
123.11623	8.0
133.10123	6.1
135.11658	2.2
137.13239	1.6
147.11636	4.0
161.13223	1.9
169.02547	18.7
195.84422	1.3
263.23679	4.7
305.69138	1.4
337.27295	100.0
338.27695	2.4
342.80548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34824	0.9
53.00253	1.0
53.03880	0.9
55.05190	1.8
55.05452	37.6
57.03376	26.4
57.07003	6.6
57.23448	0.8
65.03845	1.6
67.05429	67.7
67.05788	2.6
69.06987	38.6
70.75098	1.0
71.08524	1.0
76.11996	1.1
79.05405	17.2
81.06974	60.5
83.04909	1.8
83.08537	16.9
85.80414	1.3
91.05414	11.3
93.06972	17.6
94.07298	1.1
95.08534	54.6
97.04917	1.1
97.06461	2.9
97.10098	7.6
105.06976	10.1
107.08562	8.2
109.10094	22.0
112.99963	89.8
114.51724	1.1
119.08526	6.6
121.10081	6.4
123.11646	5.6
125.09657	1.5
130.44043	1.2
133.10118	6.4
135.11670	2.3
137.13167	1.7
137.28021	1.2
141.08900	1.2
147.11613	2.7
149.13264	1.6
161.13260	1.9
163.14682	1.6
169.02596	22.9
175.14850	2.2
263.23569	4.9
312.23849	1.2
325.59430	1.4
337.27307	100.0
338.27579	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	449.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24166	0.4
55.05220	0.6
55.05455	10.6
57.03374	9.2
57.06995	1.2
57.23334	0.5
58.32075	0.4
61.19193	0.5
66.47548	0.4
67.05428	28.1
69.06986	11.5
71.11591	0.4
79.05402	6.9
81.06975	24.5
83.04890	0.6
83.08540	4.3
91.05404	4.3
92.10295	1.0
92.64396	0.6
93.06961	5.7
94.84146	0.5
95.04893	0.7
95.08534	18.4
97.06464	1.0
97.10089	2.1
99.48584	0.6
105.06959	2.9
107.08533	4.0
109.10111	5.2
112.99966	100.0
119.08527	2.2
121.10104	2.2
123.11621	2.1
131.01015	1.1
133.10109	2.3
135.11678	1.1
137.13231	0.6
147.11658	2.0
155.00894	0.5
161.13287	0.7
169.02580	44.7
182.86755	0.6
187.03633	2.0
237.74052	0.5
245.22655	1.0
263.23639	3.2
275.10883	0.7
337.23529	1.0
337.27310	17.5
338.27661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2895
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
55.05450	4.3
57.03358	1.3
57.07014	1.6
57.95884	0.7
63.02312	1.1
67.05452	5.7
69.06988	3.4
70.06530	0.7
71.51279	0.7
79.05418	1.5
81.06989	5.3
83.08541	1.2
89.03844	10.9
89.05954	1.5
93.06978	1.6
95.08550	1.8
104.74648	0.8
105.37871	0.8
107.08551	1.2
109.10103	1.0
112.99969	8.7
117.03333	43.0
134.03590	1.7
135.04398	3.8
145.02831	95.9
146.03152	1.2
149.05978	16.1
149.21008	0.8
169.02594	1.4
177.05441	100.0
183.68343	0.8
337.27197	5.2
446.30280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66392	1.1
54.81577	1.2
55.05455	15.0
57.03371	10.0
57.07001	2.7
64.09259	1.2
67.05430	26.4
69.06979	20.1
71.04912	1.7
72.08045	1.4
73.43296	1.3
75.22800	1.5
79.05399	6.3
81.06975	25.0
83.08535	3.2
86.09629	100.0
91.05388	6.2
92.10951	3.1
93.06960	10.9
95.08533	25.0
96.57502	1.3
105.07023	1.9
105.28249	1.3
106.34021	1.3
107.08529	2.1
109.10104	9.0
112.99198	2.4
112.99963	33.9
116.44920	1.6
119.08576	1.6
123.11672	2.3
133.10080	2.7
137.62706	1.4
143.29781	1.5
147.11668	2.1
165.12746	2.6
169.02528	11.2
217.57510	1.5
218.94127	1.5
291.23001	3.5
337.27307	23.4
376.32062	18.9
404.31415	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	449.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81437	1.8
55.05446	10.7
57.03373	3.8
57.07025	3.1
59.55124	1.6
67.05436	20.3
69.06987	21.7
71.08560	2.9
79.05415	6.6
81.06988	14.1
83.08530	3.6
86.09636	100.0
92.20080	1.7
93.06961	7.2
95.08534	14.8
103.37047	1.8
103.64809	1.7
105.06994	2.6
107.08553	2.7
109.10106	6.6
112.99981	38.1
119.08533	2.2
121.10074	2.2
122.54163	1.6
151.87787	1.8
169.02605	10.4
219.86893	1.9
291.23145	3.5
298.68768	2.0
337.27328	16.5
376.32013	13.4
404.31638	3.4
463.07050	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	450.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.4
55.01804	1.8
56.96471	1.2
57.03103	1.2
57.03370	33.9
59.04922	6.5
60.04459	2.0
69.03345	100.0
70.06509	1.7
73.02811	2.5
74.13676	1.2
75.04403	8.9
81.03311	5.6
84.04390	1.9
85.02823	74.5
86.09636	2.8
87.03866	2.5
87.04384	61.6
95.04899	15.0
97.02818	70.1
99.04339	1.6
106.02832	6.4
109.02810	1.7
115.03873	53.9
121.02808	17.3
124.03896	11.1
127.03837	3.0
133.04919	52.0
139.03865	45.2
139.04915	2.1
145.04909	2.5
148.03880	1.6
150.07576	14.7
151.40503	1.3
166.04898	2.5
182.03268	1.4
190.57103	1.2
206.80222	1.6
259.07800	1.9
268.07938	2.4
363.84515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34419	1.4
53.03882	2.6
55.01804	2.4
55.05449	21.7
56.96500	3.3
57.03372	3.2
57.07003	3.7
58.09621	1.7
58.99493	3.3
67.05131	1.9
67.05430	35.8
69.03329	4.4
69.06966	3.7
71.04893	2.5
71.08546	21.3
72.08064	2.8
76.02132	3.9
79.05415	15.8
81.03336	19.4
81.06963	16.4
83.04897	18.4
83.08526	7.6
84.95953	2.2
85.02811	2.4
85.06473	3.3
86.52480	1.5
88.03877	1.7
89.03835	9.3
91.05396	14.3
92.10915	6.9
92.50362	1.8
93.06975	18.8
95.04892	21.6
95.08517	10.7
97.02758	1.7
97.10081	12.1
99.08004	7.6
104.99998	2.1
105.06946	3.4
107.08489	7.2
109.06477	2.3
109.10085	26.0
117.03331	20.7
117.06919	3.7
118.03667	3.3
119.08469	6.9
121.10101	3.4
121.95182	1.7
122.02692	12.8
123.07991	2.0
125.09619	3.8
127.03802	2.0
130.06395	2.0
131.08545	2.3
133.10062	2.6
134.03572	1.8
136.06104	11.9
136.55827	1.7
137.09566	2.1
139.11150	29.2
141.09003	2.1
145.02814	46.1
145.10086	2.1
146.03165	9.2
147.04356	8.2
149.05898	3.0
149.09628	1.9
151.11156	100.0
151.12361	3.3
152.74808	1.7
159.11697	2.6
162.05415	1.7
173.11751	20.8
173.13052	3.2
177.05443	44.2
177.12711	8.6
178.05750	11.5
179.05928	2.5
261.02744	1.7
275.20111	5.7
293.21030	93.6
294.21301	2.9
328.10385	2.3
334.77405	1.9
352.02219	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	450.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	2.6
55.05275	2.2
55.05449	32.6
56.62827	2.3
57.03362	27.0
57.07007	2.9
67.05081	4.1
67.05426	96.9
68.76578	2.4
69.06984	25.5
71.04931	2.5
75.19083	2.7
78.44104	2.6
79.05407	67.3
81.06972	100.0
83.08532	6.6
85.06443	3.1
88.15820	2.5
91.05417	28.9
93.06967	77.2
95.04876	3.9
95.08525	64.3
97.06489	3.4
97.10086	2.8
98.98397	98.8
105.06985	19.9
105.78182	2.8
107.08536	38.4
109.06500	3.2
109.10107	23.9
116.99461	4.0
117.06964	3.9
119.08536	12.0
121.10112	21.7
123.11643	4.9
131.08527	5.5
133.10092	10.3
135.11624	5.3
145.10077	4.6
145.25943	2.7
147.11693	6.1
149.13248	3.4
155.01012	11.8
155.90263	2.9
159.11656	4.3
161.13228	3.0
162.63499	2.6
163.14746	2.8
173.01999	3.7
173.13144	4.4
233.74831	3.3
236.02544	2.6
237.65717	3.1
243.21049	3.7
261.22058	20.4
335.25729	92.5
336.26181	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	450.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81701	1.3
55.01807	2.3
55.03547	1.1
55.05453	19.3
57.03371	13.6
57.06993	2.7
65.03854	1.4
66.09756	1.1
67.05425	54.4
68.37875	1.3
69.06713	1.1
69.06985	17.3
70.06487	1.7
71.04899	2.5
79.04950	2.6
79.05396	46.0
81.06969	52.1
83.08521	6.2
91.05389	22.7
93.06968	56.0
95.04872	2.8
95.08534	43.7
97.06477	1.5
97.70849	1.3
98.98394	100.0
105.06969	14.5
107.08530	29.2
109.10087	13.0
116.99442	7.2
117.06954	5.2
119.08517	16.5
121.10084	21.4
123.11669	1.8
131.08534	11.8
133.10081	9.4
135.11682	13.5
145.10106	5.9
147.11642	6.4
149.13235	12.0
155.00999	20.7
159.11644	2.7
161.13203	3.1
163.14755	2.9
165.69295	1.2
171.40334	1.2
173.02081	9.4
173.13167	8.4
233.22775	1.4
243.21042	8.6
250.01967	1.3
261.22073	30.2
335.25693	32.2
336.26117	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03644	0.5
55.01802	0.7
55.05448	3.0
56.28464	0.4
56.78172	0.4
57.03365	1.4
57.07015	0.7
59.04920	0.6
62.26392	0.4
64.32831	0.6
67.05422	13.6
68.05320	0.5
69.06977	2.4
71.08539	0.7
72.08047	0.6
79.05403	3.4
81.03338	1.0
81.06974	8.5
82.07246	0.6
83.04874	0.7
83.08511	0.9
85.06469	0.8
91.05417	2.6
93.06972	3.1
95.04865	1.4
95.08538	3.4
96.04414	2.2
97.16821	0.6
105.06930	0.8
106.02890	1.3
107.08511	1.3
109.10106	10.0
111.07996	0.9
117.03313	2.8
119.08537	1.0
123.11588	0.6
124.03816	0.7
136.06129	3.6
137.06551	0.7
138.05473	100.0
145.02817	2.4
147.04375	0.8
151.11142	9.4
173.11728	7.0
177.05388	3.8
293.20920	5.1
362.30283	0.6
450.28674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	0.2
53.03905	0.2
55.01804	0.3
55.05453	6.3
59.04930	0.2
63.15388	0.1
65.96733	0.1
67.05427	2.1
69.00880	0.2
69.03360	0.2
69.06986	0.8
69.94041	0.2
70.06494	0.2
71.08551	3.0
72.16996	0.2
79.04128	0.2
79.05413	2.0
81.06975	2.4
83.04917	0.6
83.08544	2.8
91.05411	1.1
92.10932	0.6
93.06986	1.0
94.06525	0.2
95.04878	0.2
95.08543	1.0
96.04404	2.4
97.06461	0.3
97.10104	4.4
99.08022	2.0
105.06966	0.2
107.08533	1.5
108.04408	0.7
109.06477	0.2
109.10078	0.4
110.05997	0.3
110.07130	1.2
114.53275	0.2
119.08541	0.4
124.03904	0.6
125.09595	2.7
133.10097	0.2
135.07913	0.2
136.06197	0.8
138.05481	100.0
139.05818	1.0
145.02786	0.2
147.04375	0.2
161.13263	0.3
189.11189	2.0
198.44617	0.2
220.32385	0.2
225.74712	0.2
277.21655	0.3
328.42612	0.2
450.28619	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	5.2
56.96499	1.7
57.03354	1.7
57.07008	15.4
58.06253	1.0
58.06525	5.6
67.05428	10.1
69.06981	4.3
70.06145	1.5
70.06512	37.6
71.08530	7.5
72.05836	1.0
72.08075	2.8
79.05403	5.5
81.06960	6.7
81.13653	1.2
83.08537	1.7
84.08068	6.1
86.09632	11.3
88.07540	2.1
89.05943	6.1
91.05415	2.2
92.10873	1.2
93.06962	2.2
95.08542	5.8
98.98387	8.5
105.06965	1.9
107.08534	2.7
109.06444	1.1
109.10103	1.3
111.13852	1.1
114.09124	9.2
119.08479	1.3
121.10106	2.1
131.08495	1.4
145.10167	1.2
176.12766	11.0
177.27284	1.1
190.14380	9.5
212.23820	1.5
219.64326	1.2
222.01419	1.1
238.25282	4.6
256.26233	2.0
261.22021	1.5
284.85721	1.2
335.25766	2.0
344.31512	87.5
345.31528	2.1
353.26944	4.9
353.92926	1.3
450.37772	100.0
451.09869	15.1
451.38104	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	450.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27757	1.0
55.05447	2.2
57.07006	9.4
58.06530	2.3
64.33259	0.9
67.05421	2.0
69.06982	2.3
69.30048	1.0
70.06513	22.9
71.08562	2.3
72.08042	2.1
73.02749	1.0
75.39151	1.3
79.05397	1.9
81.06962	2.6
84.08064	4.2
86.09616	5.3
88.07552	11.9
89.05947	7.7
93.06953	2.3
95.08520	2.2
102.09118	4.9
105.06958	4.3
107.08551	2.2
109.10114	1.1
114.09129	15.2
119.08536	2.3
121.10096	1.9
123.15890	1.0
124.44396	1.1
124.60684	1.1
126.87870	1.0
132.10173	8.1
133.10124	1.4
134.06755	1.4
135.11696	1.2
139.42381	0.9
152.05754	1.2
160.37509	1.0
176.12782	19.6
190.96216	1.7
212.23508	1.1
220.15399	7.6
256.26294	9.5
264.18124	1.6
280.21387	1.0
282.19162	4.1
300.28885	5.6
330.30362	1.4
344.31635	2.1
349.16876	1.4
450.37793	100.0
451.38202	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	450.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90309	3.5
53.23531	4.2
55.05445	26.6
57.03133	6.2
57.03374	100.0
57.07012	98.6
58.51757	3.5
67.05419	27.1
69.06988	39.7
71.08543	72.8
75.04393	56.7
81.06972	45.4
83.08523	22.5
85.10095	41.0
93.06951	7.5
95.08524	48.0
97.10088	23.5
109.10107	22.0
112.99968	22.6
123.11665	6.3
131.06998	20.5
131.40306	4.6
169.02600	6.7
184.92941	4.8
267.26736	8.6
283.26297	44.1
310.07632	4.5
339.28915	10.8
341.30487	71.8
341.49585	4.9
415.34073	96.7
416.34088	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	451.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	1.5
56.04970	1.5
56.96237	2.0
56.96502	34.1
57.03370	1.7
57.07016	8.1
69.03347	1.3
70.06509	6.7
71.95184	1.4
72.08058	4.7
81.03355	1.1
84.04412	4.8
84.08089	2.5
84.95954	18.4
85.02834	5.2
85.06469	5.4
86.09641	1.1
97.02815	2.6
98.97525	14.6
99.04384	1.1
102.97016	2.6
107.04932	1.3
107.08549	2.3
110.07117	2.5
112.99091	1.3
116.98576	15.2
119.04886	1.6
121.02803	1.7
128.98520	3.6
130.06531	6.2
131.00142	22.2
134.99638	10.6
137.05951	1.1
141.02151	1.1
143.00143	1.5
144.98102	1.8
146.99579	5.1
147.04405	4.9
149.01207	35.4
150.32602	1.1
153.00757	1.7
158.99635	2.4
159.03217	1.8
159.10191	1.2
161.01225	6.5
162.99141	9.3
167.02238	8.8
168.98027	3.6
170.99640	4.3
173.01166	8.7
177.00777	7.8
177.04305	53.6
177.05780	1.8
181.00136	2.0
186.99110	40.1
187.09654	2.6
189.00716	5.2
191.02203	11.3
195.05377	100.0
200.05859	1.1
201.00650	1.3
205.00174	29.4
218.07095	1.6
219.01735	14.9
219.05273	2.7
227.02205	2.5
232.99620	1.5
233.06967	5.0
237.02824	8.7
237.06450	1.9
243.01726	4.2
243.05432	1.3
251.07808	1.3
261.02817	1.9
261.06393	1.7
289.02145	1.3
303.07440	41.0
307.03140	1.4
311.08051	2.1
321.08493	10.0
327.07492	8.6
329.08508	1.3
345.08398	5.9
355.07172	2.2
373.08002	14.0
391.08957	13.8
409.10059	9.4
451.10974	6.8
451.16562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1575
Annotation	AN-7
Peak:m/z	Relative Intensity
55.05446	1.8
67.05418	1.2
67.90143	1.3
72.08055	2.3
75.18483	1.1
79.05458	1.2
79.60593	1.1
81.06990	5.2
85.02813	2.0
91.05416	2.6
92.10235	2.4
95.08526	2.0
105.06982	1.4
119.04884	4.9
123.11665	2.0
127.03904	1.7
130.06416	1.2
133.89056	1.6
146.06122	1.7
147.04370	12.8
152.50117	1.2
162.05421	2.0
175.04002	1.3
177.05420	2.1
451.15671	100.0
452.15887	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	451.1644
Annotation	Suvorexant
Peak:m/z	Relative Intensity
53.03886	2.1
55.05453	19.8
56.96507	3.1
57.07012	27.8
59.06067	3.9
61.45564	1.6
65.72110	1.9
67.05416	2.2
68.70303	1.6
69.06992	3.3
71.04915	17.5
74.99956	2.0
79.02354	1.6
81.06986	2.1
82.98907	11.1
83.04893	61.1
91.05396	3.8
95.04900	8.7
98.98407	2.4
101.05968	7.4
110.06983	1.7
117.00981	31.6
118.14425	1.8
118.43216	1.6
124.71439	1.9
128.06151	2.2
129.06961	4.1
135.02100	5.9
140.28947	1.7
145.02843	9.2
147.02065	7.5
147.04407	2.9
147.07982	2.7
147.11650	6.1
165.03088	30.7
175.01514	100.0
177.05519	3.7
181.02574	11.9
193.02571	2.3
199.03700	2.3
206.98526	1.7
227.04695	7.7
231.07799	8.0
236.02756	1.9
242.15564	2.0
274.38062	1.9
275.06619	14.0
313.11945	8.0
321.02750	7.5
331.13025	41.3
377.09039	9.8
387.19260	16.4
395.10138	21.4
433.15280	12.2
451.16394	42.5
464.21725	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34270	0.8
54.73593	0.9
55.05450	16.6
56.96502	45.2
57.03374	10.0
57.07008	5.4
62.40364	0.9
64.18232	0.9
67.05428	12.3
67.96918	0.9
69.06984	17.5
71.95166	2.6
74.62930	0.9
74.97527	2.4
76.10229	0.9
79.05419	5.4
81.06972	12.9
83.08534	13.3
84.95966	1.6
85.10097	1.3
89.05963	1.1
93.06976	7.0
95.08524	10.6
97.10109	4.3
97.96722	1.2
98.97519	1.4
100.39116	0.9
107.08519	4.6
109.10113	2.5
110.97553	1.2
111.11668	1.3
112.99961	62.8
115.97800	2.3
121.10098	5.4
128.98570	5.6
131.00142	1.7
133.98846	2.5
134.99590	1.3
135.11626	1.8
146.99614	13.4
147.47595	1.1
149.01262	1.1
155.03775	2.1
159.03215	1.2
161.01213	2.3
165.00676	5.8
169.02589	28.4
179.02237	1.2
189.04353	2.2
193.03694	1.4
203.05888	1.2
225.61270	1.1
245.10611	5.3
257.10410	1.4
277.11371	1.2
317.17807	100.0
318.17963	1.7
335.18866	73.0
336.19324	4.3
339.28876	24.7
353.19769	1.6
358.20404	7.3
391.21527	15.7
391.53812	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	8.1
56.96502	53.1
57.03370	5.5
57.06996	3.9
60.14100	0.5
67.05424	4.9
69.06982	11.7
71.95175	4.3
72.95956	2.4
74.97517	3.6
79.05408	2.4
81.06966	6.0
83.08540	4.9
84.95952	1.6
86.85068	0.6
92.98565	3.2
93.06967	3.6
95.08549	7.3
97.06474	0.6
97.10094	3.2
97.96756	1.5
98.97517	2.6
107.08536	3.0
109.10093	1.1
110.97525	2.3
112.51942	0.6
112.99960	27.8
113.00740	1.3
115.97788	2.6
116.98543	2.9
119.90993	0.7
121.10097	2.4
128.98569	4.9
131.00078	1.0
133.98840	3.3
134.99631	3.6
135.11668	1.5
141.02232	1.2
146.99623	14.9
149.01227	5.0
153.00653	1.0
155.03781	1.6
161.01164	2.8
165.00665	6.9
165.16434	0.8
169.02597	12.5
169.05386	1.3
170.01143	0.8
179.02319	2.5
183.06865	0.9
185.04854	0.6
189.04324	3.9
193.03708	0.8
203.05865	2.8
208.06247	1.0
217.07292	1.0
222.07732	0.7
225.07912	0.8
227.09494	2.5
239.09349	0.9
245.10632	4.8
257.10416	1.2
279.12662	1.4
297.13629	2.5
315.16400	0.8
317.17807	100.0
318.18039	4.6
333.17166	1.0
335.18863	79.0
336.19244	2.7
339.28882	13.9
353.19931	1.3
358.20438	12.2
391.21451	14.1
433.27777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56037	2.6
55.01812	3.8
55.05446	27.2
56.96486	6.6
57.03381	23.9
57.07006	15.2
67.05424	94.8
69.06997	29.8
70.06509	16.7
71.08545	44.1
78.32921	3.5
79.05412	58.8
81.06975	94.8
83.04903	5.3
83.08538	14.3
85.10120	5.9
86.06403	3.1
86.09645	5.5
91.05413	27.4
93.06965	64.7
95.04890	6.0
95.08529	72.6
95.67907	3.5
97.06454	4.1
97.10137	5.2
98.98398	100.0
99.08028	21.7
105.06973	25.0
107.08513	32.4
109.10123	21.1
114.09107	4.7
116.99454	3.6
117.06950	5.0
119.08524	13.8
121.10080	31.2
123.11646	4.3
131.08521	15.1
133.10063	6.9
135.11668	13.1
137.13260	4.4
145.10146	15.7
147.11656	16.9
149.13199	7.1
155.00833	3.8
156.44241	3.3
159.11690	6.1
165.12715	4.6
173.02065	6.0
176.12804	3.3
181.15802	5.8
190.14404	4.8
243.21059	13.1
249.69086	3.1
253.03729	4.4
261.22131	20.2
279.23105	14.4
335.25702	53.0
344.31528	27.6
345.31619	5.9
353.26758	41.8
368.18109	4.4
396.50714	4.2
450.37976	26.8
451.38181	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31969	0.9
53.00221	0.9
54.65764	0.8
55.05193	1.8
55.05452	50.4
57.03136	1.3
57.03370	22.6
57.06769	1.3
57.07010	22.0
67.05423	23.0
69.06989	54.7
71.08530	6.9
79.05393	12.5
81.06978	28.6
83.08533	32.6
85.10104	1.9
91.05370	1.6
93.06970	14.9
95.08533	28.1
97.06441	2.1
97.10104	15.1
107.08516	11.1
109.10095	12.7
111.07993	1.9
111.11653	2.4
112.99960	82.8
121.10102	13.2
123.11674	1.6
131.01035	1.5
135.11639	9.8
144.75116	1.1
149.13196	1.8
169.02559	30.6
187.03751	1.7
265.25122	1.6
339.28873	100.0
340.29269	2.5
475.50803	1.1
478.44174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98230	0.5
55.05453	21.4
57.03373	12.0
57.07025	7.2
61.60894	0.6
64.68385	0.6
66.76320	0.5
67.05434	13.6
69.06993	29.3
69.46764	0.5
71.08554	3.2
76.56699	0.6
79.05408	6.1
81.06977	15.4
83.08544	13.3
85.10081	1.4
86.66453	0.6
93.06973	8.5
95.08535	12.2
97.06470	1.1
97.10115	7.7
101.64788	0.7
106.42548	0.7
107.08524	5.1
109.10088	4.3
111.08040	1.1
111.11699	1.2
112.13127	0.6
112.99969	100.0
121.10106	6.1
126.35999	0.9
131.01065	1.1
131.42903	0.7
135.11671	4.2
149.13245	0.9
158.59157	0.8
159.18202	0.5
169.02583	49.7
171.37549	0.7
187.03587	0.8
265.25134	1.1
291.39993	0.7
339.28909	40.6
340.29251	3.5
433.26816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80956	0.8
54.87473	0.9
55.05189	1.8
55.05452	52.3
57.03374	29.1
57.07017	23.1
60.72456	1.1
67.05426	29.2
69.06988	58.5
71.04923	1.4
71.08544	4.9
76.52155	1.0
79.05410	13.4
79.50755	1.2
81.06975	30.8
83.08536	34.1
85.10122	1.6
93.06956	17.1
95.08535	28.4
95.09116	1.0
97.06458	4.8
97.10104	17.2
107.08540	9.8
109.10108	10.0
111.08002	1.4
111.11634	2.2
112.99965	100.0
121.10084	12.3
123.11629	1.3
135.11658	8.3
149.13179	1.6
153.74774	1.1
169.02580	34.4
185.26128	1.1
217.26308	1.1
265.25461	1.6
339.28888	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80779	1.0
54.61913	1.0
55.05450	31.7
56.04963	5.8
57.07015	2.1
67.05418	2.4
69.03358	1.6
69.06974	2.4
70.06512	11.6
72.07768	1.0
72.08064	15.3
74.75542	1.0
79.05405	1.9
81.03296	1.2
81.06967	6.9
82.02864	1.2
82.06486	6.2
83.04900	5.9
83.08546	20.5
84.04431	2.7
84.08069	7.1
85.02824	2.3
85.06444	1.8
86.09650	1.2
89.03828	1.1
89.85192	1.0
91.05407	9.3
92.22081	1.1
93.06985	1.7
96.08047	4.1
97.02802	1.9
97.06457	1.9
98.09622	100.0
98.97523	1.2
100.07552	24.3
100.11183	52.3
105.06940	1.1
109.06458	1.6
110.05992	2.3
111.04386	29.4
112.07562	8.0
116.98583	1.6
117.03306	2.4
119.04891	13.4
119.08482	1.6
120.08033	1.3
121.06458	1.4
124.03952	1.4
126.09106	6.2
127.03896	1.3
128.07033	24.8
129.05452	1.7
131.00119	1.6
133.02736	1.0
139.08611	1.4
140.07033	9.3
145.02809	6.2
147.04390	41.2
147.11638	1.9
149.01266	3.8
153.05420	2.4
163.03827	1.7
164.14294	1.5
166.15884	4.7
167.02106	1.4
168.13666	1.4
177.05412	9.5
180.13803	10.5
182.09778	1.4
182.15364	80.7
185.08107	2.3
190.04961	1.5
190.08635	2.6
190.12193	1.6
191.02280	1.5
192.13817	2.0
204.10143	1.6
207.14919	6.8
208.13266	1.9
209.16486	9.9
209.18292	1.1
210.14851	91.8
218.07974	2.1
227.17433	11.4
228.16035	4.4
235.10764	1.7
261.15796	1.4
263.30490	1.4
336.22708	2.6
337.21072	15.1
354.23788	64.4
355.24084	1.5
381.14264	1.3
433.31369	2.2
451.32764	31.7
452.21747	5.1
453.00720	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75673	0.2
53.00251	0.2
55.05446	2.0
57.03364	1.0
57.07007	1.0
58.06536	0.2
59.06049	0.9
60.05575	1.0
67.05431	2.7
69.06986	15.7
71.08537	0.5
74.09640	0.3
76.03865	0.2
79.05429	0.4
81.06971	2.8
83.08534	1.0
86.09626	100.0
87.09969	1.2
88.11189	0.5
88.23845	0.2
89.05966	0.4
91.05419	0.3
91.94903	0.2
93.06981	1.2
95.08536	2.1
96.72254	0.2
97.10088	0.4
98.98393	0.3
107.08568	0.3
109.10117	0.5
112.99973	5.0
135.11664	0.3
144.08676	0.2
169.02582	2.0
337.27264	0.3
339.28879	2.2
348.32535	8.8
349.32764	0.3
376.31952	2.9
414.11243	0.3
426.30792	0.3
451.31799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	14.5
56.04971	0.4
56.07602	0.4
57.03366	1.8
57.05769	0.8
57.07021	1.8
58.72369	0.4
62.13292	0.4
67.05428	4.2
69.06988	4.1
71.08553	0.4
72.08072	100.0
73.08401	0.7
74.09622	1.6
79.05408	1.9
79.36856	0.4
81.06980	4.8
83.08542	2.1
86.09637	2.0
93.06985	1.7
95.08528	3.1
97.06442	0.5
97.10104	0.7
98.98389	0.8
100.11343	0.4
107.08536	1.6
108.37316	0.3
109.10102	0.7
112.99969	9.5
121.10114	1.5
123.11634	0.4
135.11693	0.5
143.24136	0.4
152.60838	0.4
169.02594	4.8
290.11755	0.5
307.73877	0.4
334.30966	8.3
337.27371	0.6
339.28943	4.4
362.30496	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	452.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03380	0.2
61.20593	0.2
65.03864	0.6
70.06503	0.5
72.08066	30.5
73.08377	0.3
84.08054	0.5
86.09612	0.4
89.10699	1.4
90.99960	0.2
91.05405	8.7
95.04886	0.2
105.06968	0.3
119.04887	27.2
120.05245	0.4
124.03885	0.4
126.12750	7.8
143.15416	1.7
146.05966	0.4
147.04376	100.0
148.04695	2.5
160.18019	0.5
162.05487	0.5
169.13344	1.1
176.10680	0.3
176.44746	0.2
203.07037	0.3
204.10219	2.0
211.89130	0.3
217.13339	1.6
218.11702	8.5
231.16286	0.3
235.14424	2.6
282.02859	0.3
288.20624	1.9
289.18994	9.6
289.21942	0.4
296.65109	0.3
306.21661	11.5
307.22067	0.5
308.95883	0.3
348.61758	0.3
365.47482	0.3
381.17963	0.3
435.23108	1.1
452.25314	19.1
453.25705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.3
55.05186	1.4
55.05449	35.9
56.96494	3.7
57.03367	22.3
57.07004	13.7
57.70885	0.8
60.08004	0.8
63.22697	0.7
67.05425	22.4
69.06984	47.8
71.04893	1.4
71.08527	4.9
79.05399	12.4
81.06967	27.5
83.04881	1.1
83.08540	26.7
85.06454	1.1
85.10094	1.2
88.90871	0.8
91.05404	1.5
93.06971	12.4
95.08521	22.4
97.06482	4.1
97.10089	11.8
98.98364	1.4
99.08005	1.0
105.16750	0.9
107.08522	10.7
109.10095	5.7
111.08011	2.0
111.11668	3.7
112.99991	1.2
121.10072	13.7
123.11668	2.1
135.11668	8.0
137.13278	1.4
149.13272	2.2
163.14767	1.2
241.11081	1.9
259.12091	6.5
280.26346	3.8
298.29996	1.1
311.25726	100.0
312.26044	4.4
323.25491	1.5
340.37646	1.0
369.19489	11.0
453.16595	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	1.5
60.91179	0.8
69.03350	1.1
69.06985	1.4
70.06507	10.5
72.08081	3.5
74.05940	0.9
76.99003	1.0
79.05400	0.9
81.03335	1.1
81.06957	3.6
83.04944	0.9
84.04445	1.4
84.08061	1.2
85.02825	1.4
86.09608	1.3
91.05386	1.7
92.10233	1.7
95.04885	0.9
97.02832	3.9
98.97482	1.1
101.64687	0.9
116.07047	6.8
117.03329	1.1
130.06474	1.3
137.77710	1.0
146.05948	1.1
147.04411	3.6
162.05455	1.2
177.05482	1.7
229.11340	1.0
293.91217	1.0
453.13562	100.0
454.13943	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	453.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59089	0.9
54.81728	1.3
57.94330	1.0
59.48088	1.4
62.46602	1.0
63.31210	1.3
64.55938	1.1
69.57894	1.0
70.06454	1.2
92.02045	1.2
142.50943	1.1
444.79834	1.3
453.13589	100.0
454.13962	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	453.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21692	1.9
52.46379	1.7
54.55580	1.6
55.05445	9.7
69.06974	3.8
70.06501	4.4
72.08069	73.2
73.71091	2.1
81.06947	2.3
84.08046	5.0
85.02828	4.6
86.09633	8.8
91.05405	9.0
93.06993	2.4
95.08527	3.4
96.43207	1.9
97.60192	2.1
100.11191	15.9
105.03362	2.2
105.06995	2.4
107.04874	2.5
107.08508	2.4
114.09119	27.6
119.04906	11.8
127.03815	2.2
147.04404	29.2
162.05457	4.3
163.03874	11.6
177.05470	3.7
182.15366	2.9
190.64084	2.1
204.10176	8.3
209.16487	4.2
220.09698	2.6
238.03960	2.5
263.05933	2.3
279.06387	13.5
282.02612	3.6
288.06451	10.3
291.05295	9.0
295.05954	3.9
304.05807	2.8
305.04285	17.0
306.07431	9.0
307.05661	2.6
308.02823	2.2
309.07623	2.7
309.64545	2.3
322.04486	2.5
323.05341	13.8
333.03833	65.8
334.07169	3.7
336.02637	3.0
349.05814	3.0
350.06458	9.6
351.04919	100.0
352.05197	3.6
364.08099	13.1
365.06360	23.7
376.11917	3.3
382.09283	3.1
394.09067	32.4
421.13766	12.1
435.15384	3.7
436.13760	43.9
453.16324	46.7
453.34055	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	453.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52630	1.6
55.01815	1.5
55.05461	15.1
62.36232	1.6
69.03364	2.5
69.06981	12.1
70.06514	2.3
70.07296	1.5
71.56403	1.5
72.08071	10.0
79.05391	2.3
81.03339	2.9
81.06974	2.0
82.06500	4.0
83.04893	2.4
83.08543	13.0
84.08058	2.8
85.02833	2.0
86.09624	38.5
88.55230	1.7
91.05419	2.9
93.06964	2.0
95.04903	2.4
97.02779	2.7
98.09629	7.3
100.07553	3.1
100.11182	39.5
100.50373	1.7
105.73755	1.9
107.08539	2.7
109.02834	2.1
111.04380	3.5
111.64272	1.7
112.07523	2.5
114.09142	2.1
119.04894	8.1
121.02840	2.0
122.34109	1.9
128.07072	3.5
137.05942	2.2
141.03363	7.9
145.02846	3.6
145.06396	2.2
145.87541	1.8
146.05988	2.3
147.04391	17.8
162.05504	1.9
163.03859	3.9
176.55466	1.9
177.05470	2.6
182.15312	17.9
191.06999	21.9
194.92580	2.4
201.05324	100.0
204.10220	2.8
205.06468	4.0
209.16463	11.4
210.14922	12.7
210.16743	1.9
216.34337	1.8
220.05208	7.3
222.06700	2.6
226.19119	2.8
233.05888	2.4
234.06735	2.0
235.07500	18.3
237.09129	14.3
241.03545	7.0
248.04649	2.9
248.08679	2.1
250.06160	4.3
256.05994	68.2
257.06369	2.1
263.06921	22.6
264.07608	1.8
265.04987	2.8
265.08548	21.9
266.09268	2.3
278.81720	1.8
280.07239	8.2
282.02863	2.2
282.08856	3.7
291.06448	21.4
296.10233	2.5
297.11145	2.2
308.06595	3.3
312.12225	2.1
313.10812	1.9
323.09045	41.0
329.14966	4.3
351.05008	9.8
444.33893	3.0
453.20462	63.0
453.34109	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	453.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57549	0.6
55.05445	1.6
57.03385	0.8
57.36947	0.7
60.27754	0.8
65.03857	0.9
67.05442	0.9
69.03339	1.2
69.06985	9.4
70.06521	1.6
72.08090	1.0
72.26135	0.7
76.02559	0.7
80.08193	0.8
81.03344	1.5
81.06960	0.8
83.08530	0.9
84.08060	1.5
85.02843	4.0
86.09631	46.8
91.05400	3.8
97.02842	0.8
98.97490	1.4
100.11156	4.9
106.02880	1.1
109.02802	1.5
109.10217	0.9
110.02383	1.4
112.07532	0.9
114.09084	0.8
116.98544	0.8
119.04908	5.3
121.06448	1.0
121.10173	0.7
121.60622	0.9
122.50690	0.8
124.03897	6.5
141.03337	8.6
145.06477	1.6
146.05995	11.2
147.04387	12.1
162.05450	7.0
163.05847	1.2
173.06009	1.0
175.03932	3.7
177.06941	0.8
182.15334	1.6
183.11023	0.7
186.03090	3.4
191.07027	18.2
191.44702	0.8
194.07193	1.7
201.05295	100.0
205.06409	5.5
206.07063	0.8
207.06415	1.9
207.08156	1.0
209.16545	1.0
210.14877	1.3
213.04126	1.9
219.08080	3.2
220.05171	7.9
222.06752	4.4
226.05000	3.5
229.05019	3.6
233.05894	1.3
234.06720	4.3
235.07469	17.9
237.05441	1.0
237.09073	15.9
238.03900	1.3
239.07269	1.2
241.03648	8.5
248.04579	7.1
249.05249	1.4
250.06325	3.9
251.07207	1.0
252.07597	1.0
253.08669	1.0
256.06000	78.3
263.06970	26.9
264.01581	0.7
264.07700	3.8
265.05005	5.5
265.08600	22.5
266.09125	1.2
268.08163	0.8
280.07306	9.4
281.08243	0.9
282.02795	7.3
282.08887	3.8
291.06451	20.7
295.09641	1.4
296.10388	1.6
297.11102	5.8
308.06686	4.3
309.11298	1.5
312.06424	1.1
312.12299	5.3
313.06488	0.8
313.10751	3.2
323.09079	44.0
329.14951	5.9
339.08313	1.3
368.01331	0.8
436.17548	4.0
453.20163	66.4
453.34100	4.9
454.20453	1.8
455.64609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08582	0.4
55.05454	1.9
56.96503	38.3
57.03365	2.2
57.07013	7.1
58.97318	0.4
67.05420	3.1
67.39621	0.4
69.06981	2.4
71.08567	3.9
71.95174	4.0
72.95959	1.0
74.97531	2.6
79.05434	0.6
79.05936	0.4
81.06969	2.5
83.08532	2.0
84.95963	0.9
85.10104	2.3
89.05962	2.1
92.98563	0.9
95.08533	2.2
98.97504	1.8
98.98381	2.0
107.08568	0.5
109.10094	0.6
112.99960	16.0
115.97816	1.7
116.98589	1.1
123.01149	0.5
128.98549	3.7
133.98842	0.8
134.99655	2.2
137.02669	0.6
141.02225	0.9
146.99643	6.6
149.01199	2.8
155.01083	0.5
155.03766	0.9
161.01192	0.8
165.00699	3.9
167.02196	0.6
169.02591	7.7
169.05339	1.7
179.02286	0.7
189.04283	1.9
203.05966	1.0
207.02411	0.5
207.05385	0.5
217.07410	0.7
239.09459	1.0
254.11139	0.5
257.10550	2.4
265.93146	0.5
281.14209	1.1
319.19342	25.6
320.19754	1.0
321.20923	0.7
335.19000	0.7
337.20432	100.0
338.20779	4.9
339.28687	0.5
341.30350	6.3
344.86737	0.5
355.21533	8.0
360.21976	7.6
387.42917	0.5
393.22992	10.3
394.23312	0.6
397.12637	0.5
453.24823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81941	0.7
55.05433	0.9
55.05951	0.6
56.96502	42.6
57.03366	1.1
57.07018	6.1
63.82231	0.6
67.05426	2.6
69.06960	0.8
71.08533	3.8
71.95174	5.2
72.95949	1.4
74.97510	1.1
81.06960	2.7
84.95972	1.0
85.10103	1.6
89.05950	3.0
92.98588	1.1
95.08524	2.9
97.96688	0.8
98.97504	0.8
98.98335	1.1
100.11147	0.8
112.99978	12.2
115.97796	0.9
116.98556	1.3
128.98592	1.2
133.08551	0.8
134.99599	1.7
146.99588	4.7
149.01210	1.8
149.30849	0.9
165.00661	2.8
167.02234	1.1
169.02647	5.6
179.02258	1.0
183.73828	0.9
187.59544	0.8
189.04263	1.6
203.05794	0.9
239.14832	1.2
257.10559	1.6
319.19342	28.3
337.20419	100.0
338.20798	3.4
341.30341	1.7
355.21420	7.6
360.22110	8.0
393.23123	11.8
461.10193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85697	0.2
53.03870	0.2
55.05453	19.5
56.26523	0.2
57.07014	0.5
67.05418	0.9
67.39201	0.2
69.03309	0.2
69.06985	0.9
69.55787	0.2
70.06510	1.3
79.05405	0.2
81.06986	0.9
82.06503	4.4
83.04902	1.8
83.08545	17.9
84.08059	1.8
85.06464	0.9
92.10201	0.4
96.08086	0.2
98.09629	2.9
100.07561	6.5
100.11192	100.0
101.11560	0.3
110.06002	3.4
111.04400	8.5
112.07548	2.9
112.11183	1.4
115.44438	0.2
117.13838	1.4
123.59143	0.2
126.09118	2.1
127.08604	2.0
128.07040	6.4
129.05461	0.8
136.54750	0.2
139.08667	4.1
139.21802	0.2
140.07031	2.3
147.11711	0.5
149.13277	0.3
164.14391	0.4
166.15915	0.9
168.13838	0.4
182.15378	33.0
183.15700	0.4
192.13826	1.4
199.21680	0.3
207.86729	0.2
209.16464	26.5
210.14868	27.0
226.19109	7.2
227.17506	2.1
228.15919	1.7
232.52232	0.2
261.87637	0.2
308.26938	1.5
326.27982	5.5
335.24490	0.5
336.22818	3.3
417.32648	0.3
435.33258	11.8
436.33221	0.3
453.34290	64.5
454.34711	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05427	0.3
56.01059	0.2
58.91441	0.2
65.39124	0.2
70.06509	82.8
72.08072	4.1
72.42970	0.3
73.02853	0.3
84.08076	3.9
85.02858	0.6
92.10801	0.3
98.11633	0.2
109.47078	0.3
112.05041	0.6
116.07041	100.0
117.07354	1.1
118.08590	1.2
130.08601	5.7
138.46094	0.3
148.11307	0.3
155.63863	0.3
187.23659	0.3
188.81511	0.3
237.41800	0.3
240.08282	0.3
258.35501	0.3
366.30576	0.3
453.13705	0.6
454.14105	2.3
455.11581	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	454.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47599	0.9
54.25887	0.9
54.81729	1.0
55.05448	1.1
56.74437	0.9
70.06512	92.8
70.36988	0.9
79.80209	1.1
85.02843	2.1
116.07045	100.0
116.98573	1.3
136.06151	1.1
137.05878	1.1
152.17195	1.3
172.87247	1.3
174.03482	1.2
455.11472	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	454.2325
Annotation	Citrinalin B
Peak:m/z	Relative Intensity
52.08474	0.6
55.05440	1.3
58.06532	2.0
61.43956	0.7
64.33518	0.8
69.03335	1.4
70.06505	1.9
72.08074	100.0
82.06494	0.7
82.35098	0.7
84.08066	11.8
85.02840	1.3
89.03841	1.5
91.05402	5.9
96.04424	1.0
97.02853	1.2
98.05981	1.0
98.97513	0.9
107.04889	5.8
110.09634	0.8
112.11203	11.3
113.07076	1.5
117.03352	2.0
119.04905	15.8
121.02843	5.8
127.08705	1.6
129.13823	3.6
129.54688	0.8
131.04987	1.4
133.06485	1.3
135.04382	4.9
139.08646	3.6
139.12277	0.9
140.07065	1.6
140.50871	0.8
141.10229	1.9
145.02829	4.7
146.06020	1.5
146.16525	1.1
146.82741	0.8
147.04393	57.1
148.04774	3.8
151.12259	0.9
153.06992	1.0
155.11771	5.1
159.04378	1.8
160.07568	4.7
162.05431	1.2
163.03873	26.0
167.08142	0.9
168.06572	5.3
177.05423	1.2
181.06508	3.2
181.13406	1.8
187.03891	1.7
188.07021	11.0
199.07529	47.5
201.05438	1.0
204.10132	10.6
209.12949	1.3
216.06523	7.3
216.12268	0.9
217.13393	3.3
218.11798	3.9
220.09695	12.5
237.09122	1.1
238.13179	1.1
238.15404	1.4
239.13863	1.5
243.11319	4.3
244.09633	12.1
246.11226	0.9
261.12283	5.1
266.03354	1.4
275.17596	1.7
292.20145	5.8
308.19699	1.5
315.17075	1.4
365.14893	1.6
383.16068	5.1
410.24698	1.0
436.22244	12.2
437.20605	18.9
437.30222	1.1
454.23267	45.0
455.23605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2332
Annotation	Citrinalin B
Peak:m/z	Relative Intensity
56.46972	0.5
58.06528	1.4
72.08067	44.9
72.33339	0.6
75.09142	1.2
76.10480	0.5
84.08048	0.7
89.03827	3.0
91.05399	9.6
92.10233	1.1
104.44219	0.5
107.04931	0.7
112.11189	5.6
117.03322	3.7
119.04894	30.4
119.05763	1.2
129.13835	3.2
135.04375	10.7
145.02824	9.9
146.16550	2.6
147.04381	100.0
148.04741	4.6
155.11710	1.0
162.05489	0.8
163.03865	81.8
164.04225	0.7
176.10744	0.9
204.10179	15.1
218.11765	3.9
219.11227	6.6
220.09648	56.5
221.10168	0.8
221.12863	1.1
237.12357	1.3
275.17343	4.3
290.18524	2.9
291.16949	6.4
292.20108	12.5
308.08490	0.7
308.19604	16.9
437.20612	2.4
454.16846	1.3
454.23245	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	454.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	1.1
55.05441	2.6
56.04972	1.3
56.96494	2.0
58.06524	2.5
67.05405	1.6
69.03339	2.0
70.06512	14.0
72.08069	100.0
79.05364	1.2
79.44129	1.1
81.03334	1.0
81.06973	1.0
83.04897	1.3
84.04427	2.0
84.08067	13.3
85.02840	2.3
85.06459	1.8
90.05473	2.4
91.05397	1.2
95.04910	1.5
97.02820	15.8
98.05924	1.2
99.04376	1.2
107.04894	6.3
108.31567	0.9
109.02866	1.6
112.11208	8.8
113.05932	1.3
113.07093	1.5
116.06997	2.2
121.02820	23.1
127.03891	2.4
127.08580	1.6
130.06517	5.1
131.04892	1.6
133.06479	1.8
134.99576	1.7
138.47446	1.2
140.07031	2.4
146.05991	6.3
147.04355	1.7
155.11766	5.8
160.07542	7.6
162.05434	1.8
163.53117	1.3
168.06529	1.8
181.06427	1.6
188.07033	11.0
189.00725	1.2
198.12413	1.5
199.07520	35.1
202.10725	1.6
213.00528	1.7
215.11664	1.9
216.06509	8.6
217.13332	4.3
220.85799	1.1
231.01836	2.3
237.02704	4.4
243.11234	8.2
244.09595	17.7
246.11134	1.2
261.12259	7.0
266.03262	2.6
315.16556	1.4
365.14755	4.5
383.15625	1.3
408.72305	1.3
436.22388	8.3
436.61606	1.2
437.20654	19.5
454.23386	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	1.7
55.05450	16.6
56.96466	1.7
57.03371	26.5
57.07010	66.8
57.28538	1.7
58.66252	1.7
62.34086	1.7
67.05431	16.1
69.06986	21.5
71.08547	36.1
75.77926	1.8
79.05386	2.6
81.06973	23.0
83.08527	13.9
85.10119	21.3
89.05943	2.1
93.06972	7.9
94.36775	1.7
95.08514	24.9
97.10089	4.3
98.98362	2.3
109.10078	8.3
112.99940	9.9
158.72214	1.6
169.02640	2.8
217.04265	1.8
282.27936	2.8
313.27325	100.0
325.27151	19.8
325.56976	1.8
335.18723	4.0
343.87320	1.8
353.19766	3.0
372.09100	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	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15115	3.2
55.05452	7.8
57.03379	5.2
57.07016	47.5
57.15303	3.4
62.06025	17.6
67.05424	6.8
67.25760	4.6
67.38253	3.2
69.06986	17.3
71.08549	29.8
71.58597	3.5
72.37292	3.0
81.06991	13.1
83.08533	19.9
85.10064	13.3
88.67852	3.3
95.08530	6.6
97.10102	4.8
98.98389	20.9
109.10078	5.3
111.11658	3.6
122.33092	3.1
155.01031	5.5
282.27927	6.8
313.27310	100.0
339.28760	18.2
393.24158	4.7
428.45657	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	454.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03864	1.9
55.05194	1.8
55.05451	49.1
57.07005	3.3
67.05409	1.7
69.06982	1.6
70.06518	5.1
72.08069	2.1
76.02180	1.3
81.06989	2.2
82.06478	7.5
83.04893	7.1
83.06216	1.3
83.08536	34.7
85.02824	1.8
85.06464	2.6
90.67103	1.2
91.05408	1.8
97.06459	1.9
98.09615	6.5
98.97451	1.2
100.07533	14.9
100.11182	97.7
101.05965	2.0
101.11530	2.5
110.05972	6.2
111.04396	20.0
112.07547	8.4
113.31809	1.4
117.03290	6.8
118.12246	6.1
119.04857	2.1
126.09090	2.8
127.08585	2.0
128.07030	13.2
139.08638	3.2
140.07030	7.9
145.02806	13.9
147.04382	9.4
151.11140	1.5
162.05482	18.0
177.05438	15.5
179.65453	1.4
182.15369	73.3
183.15639	2.2
194.08488	1.4
208.06085	1.6
209.16449	23.7
210.14859	60.3
210.16466	2.2
226.19119	2.0
227.17470	5.3
228.15918	8.4
327.26361	7.2
336.22775	5.4
337.21088	3.2
436.31549	19.7
454.32651	100.0
455.33148	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	454.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37925	0.9
53.00249	2.0
55.05454	12.1
56.04974	2.4
56.05827	0.9
56.53254	0.8
56.58784	0.8
56.97865	0.8
57.03378	2.3
57.07011	68.6
62.15893	1.0
63.19071	0.8
64.58495	0.9
67.05422	6.4
69.06986	15.0
71.08544	37.9
73.06459	6.7
74.05985	17.7
75.06329	1.6
79.05379	1.7
81.06966	9.8
83.08517	8.0
85.09616	2.0
85.10094	21.3
87.04388	1.8
89.05951	100.0
93.06959	4.5
95.08527	9.2
97.10110	7.6
98.98396	14.8
99.11661	4.1
100.94762	1.1
107.07021	5.5
107.08556	1.5
109.10120	2.4
112.99932	1.8
117.09071	1.3
121.10100	4.4
130.08629	1.7
133.08559	30.8
135.11722	1.4
155.00987	7.9
177.11174	9.8
195.12241	1.3
199.20561	2.1
243.23154	5.4
265.25247	2.1
283.17459	15.1
287.25742	2.2
312.79401	1.0
314.63409	1.1
339.28818	10.6
437.34692	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20691	1.1
54.81706	1.2
55.05458	1.1
56.96503	41.1
60.34976	1.3
69.03357	5.8
70.06513	10.2
71.95186	1.5
72.08070	44.4
73.08408	1.4
76.02131	2.3
79.05407	2.0
81.03349	2.1
84.04422	2.4
84.08070	6.5
84.95957	7.9
85.02827	7.2
97.02830	3.6
98.97514	82.4
99.04345	2.0
107.04912	10.1
108.53305	1.5
110.07130	1.9
110.97528	2.9
112.11217	1.9
116.98573	100.0
117.03172	1.4
127.03902	3.3
128.98541	9.9
130.06520	2.4
131.00117	1.6
134.99628	72.2
145.02879	5.8
146.06062	1.4
146.99631	19.8
147.04431	6.3
149.01195	6.1
153.00708	12.4
155.11830	2.2
158.99614	14.2
161.01225	13.3
162.02168	1.8
162.05505	10.0
163.03845	5.9
165.00668	7.1
177.00664	30.8
177.05466	6.3
179.02260	3.6
181.00073	1.6
189.00743	2.5
195.01715	5.6
195.03372	1.7
199.07533	2.4
201.00615	2.3
211.02914	2.1
213.00691	2.3
219.01698	17.6
225.04398	2.3
229.05144	1.6
235.07430	2.5
237.02751	42.7
243.05385	2.9
244.09541	2.3
249.07840	6.2
251.09604	1.5
254.00882	1.6
255.03850	3.2
261.02676	2.3
261.12222	2.0
263.06726	2.2
265.07581	3.5
267.09061	7.4
269.03207	10.8
272.02521	1.5
279.03757	6.9
283.08475	7.3
287.04279	25.0
291.03510	1.5
291.06442	10.1
293.06851	6.2
295.08075	1.8
306.05057	2.5
311.08020	8.4
318.05389	2.5
321.07425	2.1
323.09027	2.2
329.04886	2.1
335.07986	12.4
347.04205	1.6
349.06754	2.7
353.09091	16.9
359.07867	2.1
371.10153	3.4
377.08994	5.7
378.09637	21.8
395.06323	7.6
395.10223	8.4
413.07434	22.0
420.14310	15.1
437.16898	6.9
454.13864	6.1
454.23056	3.0
455.13303	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	455.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43318	0.5
53.85376	0.4
55.61631	0.4
59.29437	0.4
64.29292	0.5
67.05431	0.4
89.15926	0.5
112.89548	100.0
168.90205	0.6
178.20073	0.5
258.08228	0.6
265.69751	0.6
269.28204	0.6
291.94904	0.6
297.38882	0.5
343.48761	0.6
436.72690	0.6
455.11514	74.8
456.11823	3.5
463.65631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	1.4
56.96489	4.4
58.99519	0.9
62.11286	0.8
64.09816	0.9
69.03343	1.5
70.06490	5.3
71.04887	1.2
72.08068	93.4
73.02846	1.0
73.08332	0.8
76.02137	9.3
79.05414	2.2
84.04419	4.9
84.08047	1.3
85.02819	4.4
86.09618	1.2
91.05404	1.0
92.13058	0.8
93.74409	0.8
95.04763	0.9
97.02821	2.0
98.97503	4.9
107.04914	14.6
110.07072	1.0
116.01617	4.0
116.98575	8.4
120.08037	1.2
128.09216	0.8
128.98500	1.0
134.99603	4.1
144.01140	0.9
145.02817	5.0
146.06035	1.3
146.99619	1.9
147.04382	4.0
150.07758	6.8
157.00775	0.9
158.99582	1.1
160.55470	0.9
162.02185	8.2
162.05516	1.0
163.03867	4.7
177.00540	1.2
177.03160	0.9
177.05440	6.1
178.05983	1.0
179.04883	1.4
192.03867	7.6
192.05458	1.1
201.05382	1.4
219.01770	1.1
220.05130	6.1
222.06549	1.1
233.05765	1.3
235.07530	9.8
237.02769	4.9
237.05141	1.4
248.04668	9.0
250.06044	1.8
260.07117	1.6
262.08612	0.9
263.06964	22.1
265.04794	1.7
269.03326	1.0
275.63992	0.9
275.81226	0.9
276.04150	2.2
278.05518	5.1
279.02963	4.9
279.06427	3.2
280.07156	2.1
282.05133	4.1
285.09256	1.2
287.04233	4.3
288.06525	3.9
290.05634	4.4
291.03156	1.4
291.06448	40.9
292.07013	2.1
293.07758	1.3
304.07187	1.0
305.06729	1.6
306.05112	20.4
307.05795	1.8
308.06641	3.6
316.05951	9.2
318.04901	15.4
319.05670	1.9
321.07480	10.6
322.04645	5.2
323.09088	13.0
324.06058	2.0
324.09427	1.1
327.10046	1.4
334.07040	1.7
336.06006	7.7
346.07047	6.5
348.08481	5.3
349.06976	20.6
351.08707	1.2
362.06445	6.3
363.07004	3.7
366.09695	9.0
367.07993	13.3
378.09622	100.0
379.09857	7.4
420.14319	64.8
420.77838	1.0
421.14578	5.3
437.16980	44.0
437.22919	2.0
438.17154	1.3
455.15134	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11234	0.3
53.03889	0.3
54.81592	0.3
55.05441	0.3
63.02296	0.3
67.01772	0.4
72.08062	0.6
77.15590	0.3
81.06998	0.4
84.08032	0.3
86.09626	3.4
89.03833	8.8
91.05401	2.7
100.11155	0.8
100.31302	0.3
103.12266	2.0
109.02875	0.4
111.43585	0.3
114.09118	0.6
117.03323	34.0
119.04893	3.8
127.03893	0.3
134.03592	2.5
135.04346	2.1
142.08682	0.4
145.02817	82.1
146.03169	1.7
147.04382	10.1
149.05943	10.9
163.03828	0.8
177.05426	100.0
178.05748	2.2
186.05470	0.8
204.10129	0.6
210.14915	0.7
210.86382	0.3
211.15164	0.4
279.16962	20.6
305.14917	0.7
389.82172	0.4
409.18506	0.3
455.21518	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02315	0.2
53.03865	0.2
53.50580	0.2
63.02298	0.2
67.05405	0.3
69.64803	0.2
72.08053	0.8
76.02168	0.2
79.05400	1.4
81.06995	0.3
83.65688	0.2
84.04414	1.2
89.03833	3.4
91.05399	1.7
92.06204	0.4
95.04893	0.4
103.05418	2.0
105.03312	0.4
105.06980	2.5
117.03324	13.2
119.04898	2.6
120.05658	1.6
130.04950	0.4
131.04848	0.2
132.05676	3.5
133.02852	1.6
133.06432	2.1
134.03583	0.9
135.04385	1.1
145.02826	27.9
146.03331	0.4
147.04407	1.7
148.05164	10.7
149.05957	4.2
160.05142	3.3
161.05969	0.5
163.07507	29.9
164.07861	0.4
176.04651	2.7
177.05432	25.9
178.05763	0.3
191.06995	100.0
192.07422	2.3
210.14857	0.2
262.14523	0.7
265.15475	0.4
279.16971	9.0
280.17139	0.3
291.13321	0.7
305.14920	0.9
455.21518	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	455.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81731	0.3
60.12380	0.4
86.09637	1.7
89.03837	9.7
103.12277	0.7
106.04143	0.4
117.03327	32.8
118.03576	0.7
120.05904	0.5
127.21568	0.5
134.03571	2.3
135.04369	2.5
145.02826	91.5
146.03137	1.0
149.05962	12.7
159.89716	0.5
162.03221	0.5
163.03941	0.8
177.05432	100.0
178.05768	0.7
186.05307	0.4
206.43602	0.5
250.95476	0.5
262.14316	0.5
279.16974	21.6
305.14813	1.8
455.21716	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35004	0.6
52.09205	0.6
54.81056	0.6
58.58936	0.6
65.77628	0.6
67.47450	0.6
76.55466	0.9
81.06977	1.4
99.94625	0.8
106.37280	0.7
120.44202	0.8
132.04424	0.8
333.10187	0.7
455.33344	100.0
456.33630	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71908	5.6
55.05444	38.3
56.96506	6.5
58.83861	5.4
59.04936	6.8
59.08600	7.3
67.05421	14.7
69.06986	41.3
71.04911	12.7
79.05419	16.1
81.06971	48.1
85.06496	7.4
91.05402	14.8
92.10876	19.2
93.06979	34.1
95.08517	46.2
97.10111	7.2
98.06007	14.9
98.97511	14.6
103.03740	6.9
105.06992	52.0
107.08525	68.8
107.15022	6.9
109.10122	38.3
116.98562	13.5
117.03298	7.2
119.08560	58.3
121.10057	31.9
123.08007	7.9
125.09604	15.7
127.11147	12.7
129.06966	8.3
131.08539	43.8
133.10072	52.0
134.99612	28.9
135.11719	10.8
142.07761	10.0
143.08505	13.6
143.10635	7.6
144.06520	9.0
144.09291	9.9
145.02853	7.0
145.10083	39.0
147.11670	41.7
149.13258	11.2
153.00786	9.1
155.08554	12.3
157.10127	37.2
159.11662	45.9
161.13220	43.8
169.10092	15.1
170.10898	12.2
171.11658	25.7
172.65280	7.1
173.13229	32.1
177.12685	9.7
179.14291	13.9
183.11676	52.5
185.13266	100.0
187.14803	13.6
197.13130	8.4
199.14738	9.5
203.14249	7.1
211.14795	7.9
213.16405	10.4
244.01260	6.9
274.97418	33.2
292.98474	38.6
334.47177	7.2
357.30432	7.0
419.32874	11.8
437.34064	47.1
455.34979	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44411	2.6
50.79794	2.2
55.05447	46.7
57.07004	19.5
59.04934	41.7
61.12480	2.6
66.99088	2.5
67.05435	35.9
69.03349	17.8
69.06990	34.1
71.04892	15.3
71.08515	3.0
79.05409	19.4
81.06982	49.5
83.04901	4.9
83.08524	17.1
85.06459	7.2
87.04391	3.8
91.05395	26.2
91.99797	2.6
93.06968	55.4
95.04905	4.8
95.08530	67.7
97.06461	30.5
97.10102	59.5
99.08023	5.8
105.06966	55.8
107.07864	6.3
107.08537	97.1
109.10116	39.8
112.13875	2.9
113.03285	2.8
116.98571	4.4
117.03327	4.2
117.06945	15.3
119.07680	3.9
119.08536	100.0
121.10094	49.3
123.07994	11.7
123.11652	20.8
125.09584	54.8
127.11132	12.6
128.06152	4.1
129.06958	4.1
130.06499	5.2
131.08511	47.5
133.10081	52.9
134.99536	4.1
135.08046	4.3
135.11658	48.4
137.09543	3.7
137.13187	5.4
139.11133	3.5
139.45375	3.2
141.06947	5.5
142.07762	4.7
143.08556	42.9
143.10623	53.0
144.09155	4.2
145.02815	4.1
145.10097	62.3
146.26091	3.3
147.04344	2.9
147.11679	46.7
149.13211	16.5
155.08530	17.8
156.09312	12.5
157.10086	42.7
158.10840	5.6
159.11664	58.1
161.13200	39.3
163.14735	4.6
169.10049	15.6
170.10881	14.9
171.11670	32.2
173.13222	54.7
175.14737	21.8
177.05452	6.6
179.14240	6.7
181.10115	5.8
182.10918	4.0
183.11633	36.1
184.12335	4.4
185.13239	95.3
187.14793	31.8
191.14267	26.8
195.11693	16.5
196.12447	5.0
197.13205	21.5
198.13887	3.5
199.14836	23.3
201.16321	20.4
203.14307	6.8
205.15767	6.6
209.13185	18.4
211.14786	22.6
213.16383	14.4
223.14735	11.7
224.15706	5.3
225.16304	28.5
227.17870	12.7
229.15878	3.7
237.16258	5.4
237.35097	3.1
239.18010	22.6
251.17844	5.4
253.19414	12.4
257.18872	6.8
265.19485	5.1
267.21173	3.8
277.19348	4.0
279.21060	13.3
292.98483	4.6
293.22565	3.6
295.20862	3.5
295.24094	5.2
302.57181	3.7
313.25156	5.2
333.25446	3.4
335.11752	3.0
335.27258	6.7
419.32809	13.7
437.34158	84.2
442.75543	3.4
455.35101	93.1
456.35553	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	456.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81623	2.9
55.05441	18.3
55.41103	2.4
70.06505	60.6
72.08073	62.5
89.03833	12.8
91.05464	2.7
98.05991	17.3
98.67590	2.8
99.77196	2.4
104.10631	2.4
106.88478	2.5
115.05408	3.4
117.03342	31.0
129.32043	2.7
145.02824	100.0
147.04320	4.5
149.05971	15.3
156.01788	3.1
175.03821	3.0
177.05421	84.2
193.06395	2.9
205.06459	43.2
217.06363	5.1
221.06047	3.0
233.05940	41.7
234.06461	3.8
237.08994	5.1
245.05936	9.7
248.04631	11.0
249.05368	16.8
250.06256	3.2
259.09576	4.4
260.07028	3.7
263.06952	10.2
264.07693	13.9
265.08453	6.0
267.06442	6.1
274.61310	2.9
277.04843	10.4
277.08469	10.6
280.03540	24.4
288.06549	22.5
291.06451	82.9
295.05887	15.6
303.05093	3.7
318.07486	11.2
319.05960	14.1
320.09100	12.5
323.09076	3.5
330.07404	3.5
348.08542	12.8
389.14929	23.2
390.13226	59.0
407.15945	67.9
408.16104	3.9
439.18219	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	456.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20846	0.4
53.03879	0.5
53.48086	0.4
55.01797	1.1
55.05449	8.0
57.03361	1.1
58.94750	0.4
61.02836	0.9
67.05431	5.1
69.03329	0.8
69.06986	9.5
72.08059	2.9
73.02820	7.2
74.02333	1.2
76.04726	0.5
79.05402	11.5
81.03323	0.6
81.06971	9.6
83.04910	3.8
83.36744	0.5
86.09624	100.0
88.11538	0.5
90.94160	0.6
91.05402	41.5
92.10970	1.1
93.06968	12.9
95.04884	6.3
95.08530	2.1
95.83926	0.5
97.06492	0.6
98.05978	5.3
99.07781	0.5
103.05383	0.8
105.06970	53.6
106.07265	0.7
107.04883	3.3
107.08530	6.3
109.06461	9.5
109.10081	1.0
110.03255	0.5
111.08027	1.0
111.64470	0.6
115.03836	0.9
115.05373	0.6
115.08634	3.1
117.06943	3.7
119.08535	17.2
121.06438	2.4
121.10096	4.0
123.07992	2.1
125.05911	1.2
128.10672	1.3
129.06979	5.6
131.08530	32.1
132.10167	32.5
133.06430	3.0
133.10089	67.7
135.08015	0.8
137.05966	0.7
139.07498	0.8
142.07736	2.5
142.37973	0.5
145.10136	1.0
146.09186	0.5
147.07990	3.0
147.11662	24.2
149.09590	9.0
149.13217	0.8
151.07533	6.1
151.11148	12.3
157.10127	3.6
162.05470	1.9
175.11156	14.2
184.13269	1.0
192.13795	2.3
193.12198	11.2
193.25223	0.5
238.14374	0.6
260.20023	7.4
278.21054	6.7
306.20544	21.4
307.61139	0.6
323.08871	0.8
324.21634	32.0
325.22043	0.7
334.66302	0.6
334.90237	0.6
381.90659	0.5
430.35181	0.6
439.18253	0.9
477.15143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15142	0.8
55.05440	6.9
69.03334	1.6
70.06504	8.3
72.08064	75.0
74.75401	1.0
84.04430	1.5
84.08053	2.0
85.02816	4.7
86.09596	1.3
87.67429	1.0
90.05453	1.9
91.05380	1.9
94.73592	1.0
94.74269	1.1
95.04897	1.4
95.62014	1.2
97.02798	2.0
98.05978	6.1
103.05394	2.2
105.06958	1.9
110.02353	2.1
115.05383	2.1
119.04839	1.8
127.03886	1.3
131.04883	5.6
133.10103	10.6
137.05917	2.2
141.03322	5.6
143.04956	1.2
145.06468	1.7
146.05984	33.9
147.04356	1.8
151.03806	4.0
157.02769	1.5
159.04332	1.6
160.05197	1.9
161.05898	4.2
162.05492	1.1
163.05853	1.2
163.07388	1.3
173.05846	1.2
174.05473	8.0
175.07556	1.4
175.11137	1.3
184.05153	3.8
189.05429	4.2
191.07010	16.6
192.06493	8.3
193.12079	1.4
201.05287	100.0
202.05795	2.3
205.06430	2.6
212.04604	2.7
213.04073	1.9
214.04787	1.5
217.04889	1.4
220.02983	1.4
220.05170	5.7
226.04726	3.4
227.06966	1.3
229.04921	8.1
233.05881	1.4
234.06752	1.8
234.88736	1.0
235.07428	19.9
237.09021	7.8
238.03775	2.0
241.03661	8.1
245.04269	5.6
246.07611	1.8
248.02264	1.3
248.04611	5.8
249.05428	2.0
250.06102	2.1
253.08479	1.3
256.05978	63.0
257.06210	1.9
259.09592	32.3
263.04276	1.9
263.06967	34.6
264.07550	1.3
265.04865	5.9
265.08603	11.9
266.03195	6.1
276.04205	1.3
277.08337	1.5
280.07217	10.4
281.08054	1.3
282.08813	6.3
288.12213	4.5
291.06433	44.2
292.07028	1.8
294.08884	1.4
295.09528	1.7
296.10367	12.7
297.11084	1.8
298.10709	10.9
308.06662	5.7
309.11115	4.4
313.10519	5.3
315.13315	2.2
316.11722	1.9
323.09061	86.0
324.09418	4.9
333.14267	6.6
394.16330	3.7
421.17239	1.3
422.15869	36.9
423.16077	1.3
439.18564	73.3
440.18442	2.3
457.19540	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	457.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81787	1.0
55.05442	6.4
56.96490	1.1
69.03345	1.8
69.08226	0.9
70.06506	9.0
70.41348	1.0
71.04919	1.5
72.08066	51.9
75.21146	1.1
84.04414	2.2
84.08060	2.5
85.02827	2.0
86.09676	1.2
89.49298	1.1
91.05370	1.8
97.02813	1.9
98.05960	2.6
101.66856	1.1
103.05393	4.5
115.05390	2.5
116.98559	1.3
119.04886	1.6
123.26505	1.1
124.56168	1.0
129.03247	1.3
130.20674	1.1
131.04854	14.2
137.05943	7.1
145.02846	2.6
145.06398	1.5
146.05994	6.0
147.04350	4.8
148.04648	1.4
151.03899	5.6
159.04366	2.7
160.05162	6.7
161.05922	13.4
162.05479	5.3
163.07518	4.9
167.04887	1.3
175.07512	5.7
177.05402	2.6
183.04398	1.5
184.05162	7.7
186.05495	4.6
187.03880	1.9
189.05359	10.6
191.07005	4.9
195.04387	2.3
198.06825	1.2
199.07463	2.5
201.05327	30.2
205.06354	1.5
212.04645	19.1
213.05449	2.3
214.04984	2.1
217.04935	9.0
218.08109	4.8
222.06882	1.7
227.07037	5.6
229.04892	18.6
235.07446	6.2
237.09003	2.6
244.07294	4.4
245.04382	17.3
246.07576	6.1
248.04602	1.9
256.06049	11.8
259.09583	100.0
260.09851	4.5
263.06885	12.3
265.04849	1.5
265.08521	7.0
280.07095	2.2
282.09021	2.3
288.12357	10.2
291.06387	10.6
296.10355	2.6
297.11191	1.5
298.10663	2.0
308.06702	2.6
309.11163	1.3
316.11737	9.0
323.09070	31.9
324.09476	1.6
325.10385	1.3
333.14438	10.0
340.09088	1.3
350.43134	1.3
351.08328	4.6
418.55750	1.5
422.15900	17.9
427.75510	1.1
439.18475	19.7
457.19449	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	457.1968
Annotation	Kopsidasine N-oxide
Peak:m/z	Relative Intensity
53.03865	0.3
55.05448	1.2
68.99710	4.1
70.06525	0.5
72.08072	16.2
73.06473	0.5
79.05415	0.3
85.02836	0.3
86.09635	1.3
89.03847	13.1
89.10720	6.7
91.05399	1.4
98.05991	2.3
103.05424	0.3
110.03620	1.8
115.08643	0.5
117.03332	42.2
118.03651	0.5
119.04911	0.5
124.05177	0.5
125.05951	5.8
129.04503	0.3
129.72292	0.3
130.08591	0.6
134.03613	2.2
135.04399	3.8
145.02829	100.0
146.03154	1.6
147.04422	0.7
149.05960	16.2
149.16997	0.3
151.03889	5.6
162.03033	0.4
163.03885	0.5
177.05440	92.3
178.05798	2.0
186.05424	1.3
187.14389	0.5
193.04912	8.5
198.01355	0.3
245.19759	0.3
248.12740	1.2
263.13995	0.6
264.12335	2.5
265.15424	14.3
281.14908	17.7
307.09671	0.3
307.12799	1.5
326.10992	0.6
440.18942	0.5
457.14221	1.3
457.19620	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	457.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58806	1.5
55.05230	1.5
55.05447	17.1
69.03330	9.7
70.06508	18.5
72.08064	96.4
78.45944	1.7
83.08535	4.2
84.04423	2.3
84.08823	2.4
85.02828	2.0
95.04807	2.3
98.05988	16.7
100.11201	19.3
101.11504	11.1
102.11818	3.1
103.05377	7.9
110.02333	7.9
111.04391	3.7
115.05354	6.7
115.08591	4.2
119.04891	6.7
124.05167	1.9
125.05898	3.4
130.06487	7.9
131.04884	20.7
137.05934	34.7
143.04872	2.7
145.02788	3.8
146.06020	3.2
147.04361	14.3
151.03903	16.4
152.07024	3.3
153.17967	2.0
157.02798	3.0
158.05951	9.6
159.04391	4.2
160.05133	3.6
161.05933	14.6
162.05508	2.6
163.07494	8.9
173.05861	2.2
175.07524	12.9
176.04787	2.3
177.05397	3.6
182.15387	2.5
183.15640	4.0
185.02309	3.6
186.03030	2.5
186.05473	25.4
187.03842	2.5
189.05432	10.7
190.06075	1.8
190.08607	7.7
191.06961	13.0
194.07147	3.0
201.05360	65.6
203.05634	8.5
205.06406	11.6
206.11697	2.1
210.16595	2.3
211.15131	2.8
211.17090	2.7
212.04517	2.6
213.15572	2.7
214.04935	84.5
215.05577	12.2
216.06534	1.9
217.04898	17.7
218.08083	39.3
219.06380	2.8
220.05127	3.8
221.05791	3.5
222.06786	7.5
229.04872	8.8
233.05884	7.8
234.07437	3.3
235.07446	15.8
237.09030	18.2
241.03650	2.9
244.05795	3.3
245.04355	18.4
246.07545	32.9
247.07738	3.1
248.04605	3.6
249.05405	3.7
250.06187	7.1
256.05951	30.1
258.49271	2.1
259.06979	3.5
259.09573	47.4
263.06909	21.3
264.07941	3.0
265.04965	13.4
265.08487	24.0
266.09183	2.4
276.04062	2.6
280.07187	10.8
281.07825	2.0
282.08871	7.5
288.12234	23.2
291.06445	30.6
292.07086	12.2
293.04285	7.3
293.07861	3.1
295.09396	3.9
296.10382	7.6
297.11176	4.3
298.10721	6.5
304.03177	1.9
307.09518	9.0
308.06693	40.6
316.11658	7.1
323.09058	100.0
324.09360	3.8
325.10645	6.7
333.14365	8.1
336.06293	6.6
351.08566	53.9
394.16284	6.7
422.15836	38.3
439.18552	78.9
440.18683	9.1
456.35144	16.3
457.19611	66.7
457.35214	2.9
458.20007	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	457.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	4.3
57.07011	2.3
62.77926	2.7
67.05414	5.1
67.86993	2.6
69.06977	11.7
73.24959	2.4
79.05402	11.5
81.06989	19.9
86.09586	5.1
91.05370	4.0
92.49148	2.6
93.06962	12.0
95.08543	15.8
99.58065	2.5
104.99212	37.3
105.06984	28.9
107.08544	16.3
109.10097	12.7
119.08508	5.4
121.10052	4.2
126.12733	2.7
129.04718	2.9
132.11270	2.7
133.06462	13.9
133.10011	4.5
134.07205	6.2
135.08049	22.0
135.11676	3.3
137.01828	3.3
145.02837	4.0
149.09698	2.8
151.07465	5.0
165.03648	14.8
165.09077	10.8
177.05431	3.0
179.05211	2.8
242.91676	2.8
277.16107	3.8
294.84918	3.2
295.17255	21.1
320.80969	2.7
323.19553	12.0
375.24985	100.0
397.23022	5.4
457.23035	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	457.256
Annotation	strongylophorine-26
Peak:m/z	Relative Intensity
55.05444	6.3
57.03373	22.7
57.06746	2.0
57.07014	57.1
59.04932	1.0
67.05434	9.7
69.06989	12.5
71.08185	1.6
71.08546	33.3
79.05402	1.0
81.06973	15.3
83.08527	4.8
85.06488	1.1
85.10114	15.7
89.05933	5.3
91.05420	1.1
93.06983	1.3
95.08539	22.7
97.10076	4.6
98.98387	11.3
103.07478	1.3
107.08493	1.4
109.10101	8.4
111.11662	1.5
119.08527	1.8
121.10115	1.1
123.11629	2.1
140.75668	0.9
155.01045	3.6
169.99939	1.0
211.20534	1.6
215.62294	1.1
229.21568	3.8
285.24188	100.0
286.24820	1.4
313.12762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	17.9
55.01812	37.6
55.05447	63.6
57.03363	8.0
57.07001	7.3
66.40833	8.7
67.05426	100.0
67.21286	7.5
69.03339	39.8
69.06982	83.6
71.04913	11.1
79.05405	66.0
79.05811	7.6
81.03322	77.4
81.06976	84.9
83.04887	18.0
83.08530	18.0
85.02803	8.5
86.32146	7.2
89.03864	7.8
91.05416	20.8
93.06966	76.2
93.89749	7.8
95.04893	16.5
95.08515	79.2
97.02790	58.8
97.06441	12.9
97.10050	13.9
105.06968	30.1
107.08530	35.5
109.02813	74.1
109.06443	11.8
109.10076	41.2
110.31445	8.2
111.08004	8.6
115.83044	8.0
119.08545	34.8
121.10078	15.8
123.08009	14.1
127.03842	40.4
131.08514	9.9
133.10088	11.7
135.11707	8.6
137.09583	16.8
139.11169	29.3
143.08540	10.1
147.11600	12.0
153.74478	8.4
277.21463	75.1
295.22623	49.5
385.23370	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	457.3673
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
55.05444	23.2
57.03362	3.8
57.06709	3.6
57.07002	21.3
62.02313	4.1
64.33614	4.1
67.05415	34.0
69.06992	36.7
71.04900	35.4
72.08062	23.1
77.80001	4.0
79.05394	19.0
81.06973	52.9
83.08527	9.4
91.05396	26.2
93.06973	47.3
95.04851	4.8
95.08537	62.0
97.06429	6.2
97.10107	4.9
105.06979	58.7
107.08533	91.7
109.10093	55.8
119.08543	100.0
121.10099	64.0
123.08064	6.9
123.11642	25.2
125.09554	7.6
127.11132	40.0
129.06958	4.6
131.08534	51.3
133.10110	45.9
135.07954	3.8
135.11624	40.3
143.08546	33.7
143.10669	7.3
145.10110	63.7
147.11653	43.4
149.13237	18.2
155.08496	5.2
157.10075	23.0
159.11664	52.8
161.13184	39.8
163.14763	8.3
169.10085	23.6
170.10872	20.7
171.11746	38.3
173.13243	57.9
175.14798	19.3
179.14247	9.7
183.11644	23.4
185.13190	71.3
187.14803	26.1
189.16333	5.3
191.14240	29.3
191.62164	4.7
197.13176	9.6
199.14767	18.9
201.16400	20.8
210.18460	4.4
211.14731	16.4
213.16339	8.1
213.61914	3.9
223.14777	5.5
225.16367	21.4
227.18050	9.4
239.17896	18.0
271.20682	4.4
285.24280	6.9
295.24005	5.2
421.34650	48.2
439.35602	57.1
457.36743	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92556	0.2
53.03881	0.4
57.03343	0.2
59.39158	0.2
63.84844	0.2
66.88966	0.2
69.03351	2.3
71.04893	0.2
72.08061	0.5
73.02802	0.2
81.03347	2.6
84.04451	0.2
84.08059	0.4
85.02825	1.4
87.04395	0.4
92.10844	0.2
97.02824	2.7
99.04368	0.8
104.84854	0.2
109.02815	3.4
110.07088	0.5
110.22758	0.2
118.06511	0.4
127.03882	2.1
128.04915	2.0
132.04445	1.9
133.04910	0.3
145.04935	0.3
146.05986	100.0
147.06316	2.1
159.31348	0.2
162.05476	0.9
165.34016	0.2
168.68445	0.2
174.05467	11.9
192.06517	9.8
246.07652	0.5
299.68372	0.3
300.08719	0.4
318.09711	2.2
319.09854	0.3
336.10748	1.5
389.70419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14440	0.2
70.06506	81.0
71.06841	0.5
76.71681	0.2
107.38562	0.2
116.07037	100.0
117.07384	1.1
118.48790	0.2
121.42789	0.3
124.80363	0.2
129.24095	0.2
211.28726	0.2
322.47037	0.3
340.20276	0.3
399.92676	0.3
428.26370	0.3
479.40741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53294	0.3
52.50830	0.4
52.57236	0.3
53.38578	0.3
53.70275	0.4
55.05440	2.3
55.10622	0.4
57.06998	1.0
62.67640	0.4
67.05422	6.4
68.35754	0.4
69.03345	0.9
69.06984	9.7
73.02816	0.9
73.22417	0.4
79.05402	12.6
81.06974	9.2
83.04903	5.9
83.08558	0.5
86.09624	100.0
87.09974	0.6
91.05399	7.6
92.50193	0.5
93.06965	20.0
95.04905	1.7
95.08510	3.5
97.06451	2.3
105.06959	4.8
107.04915	0.9
107.08537	11.4
109.06481	1.9
109.10114	0.6
111.08051	0.5
117.06967	4.1
119.08550	2.4
121.06450	0.7
121.10085	2.3
123.08009	0.9
128.10707	1.5
131.08510	4.3
132.10164	35.5
133.10097	11.7
135.08040	2.7
135.11653	12.6
146.76163	0.4
149.13216	9.2
151.11160	2.1
153.12755	1.0
159.11688	4.4
177.12671	8.1
195.13789	0.6
201.54054	0.4
201.94276	0.5
221.63161	0.4
262.21582	5.3
280.22775	2.5
308.22134	22.6
326.23175	20.5
431.50653	0.5
476.88803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43155	1.1
54.82256	1.7
55.01799	1.1
56.66796	1.1
56.96245	2.4
56.96503	45.5
57.03364	2.0
57.25366	1.0
69.03333	8.1
70.06509	9.2
70.34802	1.1
71.04894	2.9
72.08074	12.6
73.02816	7.4
73.08436	1.3
74.08724	1.0
81.03326	5.4
84.04427	1.7
84.95931	1.0
85.02821	9.2
86.09613	2.3
91.05400	2.5
97.02839	10.9
98.97494	10.8
105.06973	1.5
107.04914	1.5
109.02807	5.4
110.07117	1.2
114.23328	1.1
116.98568	12.7
119.04916	1.4
127.03860	5.1
128.04883	1.8
128.98558	2.4
132.04382	1.3
133.10083	7.2
134.99626	6.9
137.04541	2.7
141.02203	1.6
145.02829	2.3
145.04893	1.6
146.05988	95.3
146.99611	6.7
147.04340	5.0
147.06337	4.9
149.01155	1.5
155.03793	4.5
162.05446	17.8
163.03836	1.9
163.05884	2.1
170.99529	1.2
172.03940	10.1
174.05463	8.7
177.00743	2.2
177.05446	2.9
189.00673	3.0
190.04994	1.6
191.06958	1.6
192.06468	8.7
201.05389	12.7
202.05728	12.0
202.12250	1.5
203.05852	2.8
213.12352	1.4
221.08458	6.0
223.09967	2.5
231.06778	4.7
239.09338	1.7
248.02313	1.4
249.07910	19.3
256.05890	6.3
257.06320	7.2
258.06451	2.6
263.06967	1.5
266.03195	5.3
267.08978	58.1
268.09344	1.9
285.10031	100.0
286.10309	2.6
290.10522	2.2
291.08957	4.8
292.06665	2.5
303.11075	11.6
308.11630	2.1
309.10129	1.8
324.09375	6.8
325.09647	5.4
327.11026	2.8
334.09018	1.4
381.12137	4.0
399.13211	14.3
417.02332	1.5
417.14279	13.3
424.16095	1.8
435.15445	10.2
440.19144	8.4
441.19009	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	459.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.5
55.01819	0.3
55.05432	0.6
56.96488	0.3
57.03365	0.4
60.48878	0.2
61.02831	0.3
64.59043	0.2
69.03350	3.6
70.06502	1.1
71.04906	0.5
72.08052	1.6
72.08400	0.2
73.02831	0.4
73.06469	2.0
78.67090	0.2
81.03340	4.8
84.04426	0.5
84.08028	0.3
85.02824	4.3
86.03112	0.2
86.09625	0.4
89.05975	0.4
91.05408	0.9
97.02819	3.5
97.06405	0.2
99.04372	1.3
101.05944	3.1
103.05435	0.3
107.04858	0.4
109.02838	4.6
114.37600	0.3
116.98650	0.3
117.03332	0.5
118.87234	0.2
119.04885	1.4
121.10081	0.2
124.90105	0.3
125.09598	0.2
127.03876	5.1
129.10159	0.3
130.05606	0.4
130.06494	7.6
131.08502	0.2
134.05952	2.1
144.04417	1.1
144.08076	0.5
145.02809	1.5
145.04962	1.1
146.05965	0.6
147.04411	3.2
148.03877	0.5
151.03903	0.5
162.05467	100.0
163.05847	1.9
172.07579	1.1
177.05484	1.9
181.08438	0.4
190.04950	10.5
191.14249	0.4
194.02667	0.3
196.16829	0.3
199.09688	0.3
208.06012	7.6
239.02190	0.3
270.07507	0.3
292.11868	0.4
316.07986	1.4
316.24390	0.3
317.76743	0.3
320.11255	0.4
324.09381	0.4
334.09167	3.8
352.10242	2.5
406.14801	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76790	0.2
54.81484	0.2
55.05460	0.3
56.96491	0.2
60.03683	0.2
63.02279	0.4
69.03344	0.5
69.45283	0.2
70.06492	0.5
72.08069	4.0
73.95554	0.2
77.29177	0.2
78.04623	0.4
79.05400	0.2
81.73917	0.2
85.02821	0.9
86.09627	0.8
89.03835	7.2
89.10706	1.1
91.05392	2.5
93.06953	0.2
94.80920	0.2
96.96140	0.2
97.02851	0.2
98.05991	0.3
103.05379	0.2
104.83871	0.2
106.02893	0.2
109.02827	0.3
115.08646	0.4
117.03330	27.4
119.04879	4.1
124.03899	0.3
134.03607	1.9
135.04358	2.9
145.02823	80.7
145.46643	0.2
146.03171	2.0
146.05984	0.3
147.04387	11.6
147.11635	0.2
149.05963	11.1
151.03874	1.8
151.07483	0.4
162.05432	0.9
163.03876	1.4
175.03996	0.3
175.11136	0.3
177.05437	100.0
178.05782	3.3
186.05527	0.5
247.14317	0.4
248.12810	2.6
265.15402	19.4
266.15756	0.5
277.11765	0.8
282.02844	0.2
291.13364	1.9
295.12848	1.5
441.20239	7.2
442.20401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04102	0.3
53.19957	0.4
55.05437	1.5
65.03862	0.6
67.05428	1.6
69.06985	0.4
79.05392	0.5
81.06976	1.5
91.05409	14.6
93.06963	0.7
95.08533	0.6
107.08514	0.4
110.24488	0.4
117.03346	0.4
118.53191	0.4
119.04891	37.9
123.99804	0.4
139.60136	0.4
145.02837	0.6
147.04385	100.0
148.04729	2.2
219.05646	0.4
277.21570	1.5
460.20105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11992	0.8
54.81213	0.8
55.01823	1.3
55.05450	6.6
56.04966	4.0
56.96493	1.5
57.03353	0.9
67.05418	10.0
69.06970	2.1
71.08530	1.3
72.08049	1.1
79.05403	7.2
81.06980	12.8
83.06028	21.2
83.08533	4.1
84.04430	100.0
85.02822	1.7
85.38821	1.1
91.05403	6.4
93.06991	10.3
95.04875	1.3
95.08530	5.2
97.06464	1.7
101.07088	6.9
102.05476	18.3
105.06984	3.8
107.08540	4.2
109.02801	1.4
109.06455	1.0
109.10112	1.7
111.08015	4.0
117.03340	1.3
117.06969	1.3
119.08533	1.6
121.10059	1.4
123.08041	1.6
123.11697	1.3
129.06566	23.9
129.66272	0.9
130.04970	67.2
131.08591	1.5
133.10114	3.9
134.99620	1.0
135.11620	1.8
145.02820	3.5
147.04384	1.0
147.07625	18.8
148.06001	8.5
149.13255	2.3
149.69493	0.9
157.13918	0.9
159.11662	3.4
177.05431	1.6
177.12700	1.4
195.13863	1.9
212.16429	3.5
259.20413	1.2
277.21552	4.9
296.18530	1.2
314.82990	1.2
323.19882	1.1
324.18048	4.9
341.20639	8.5
378.26587	1.1
406.26035	1.2
459.16580	5.0
459.66870	1.9
464.78949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91730	1.1
55.05428	1.3
60.12637	1.2
67.05415	1.7
81.06960	5.4
88.35011	1.3
92.10845	2.0
93.06990	3.0
95.04884	1.4
95.08567	2.2
102.30286	1.4
104.99326	1.2
105.06962	2.1
107.08503	2.2
109.10128	1.2
119.08552	1.8
125.28082	1.3
155.14970	1.1
210.94109	1.3
459.25189	4.0
459.30679	100.0
460.31369	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	459.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	33.4
55.89344	4.9
57.07005	8.6
59.61838	5.0
67.05422	34.4
69.06989	100.0
71.04882	11.3
72.04429	8.3
79.05392	42.0
81.06590	5.5
81.06985	94.5
83.08541	7.3
83.95231	6.1
85.06463	8.8
88.02122	8.1
91.05396	27.4
93.06971	72.2
95.08530	79.2
98.36659	5.5
104.91955	5.7
105.06969	73.5
107.08537	80.8
108.25676	5.2
109.10139	45.2
111.11690	8.3
117.06940	6.8
119.08541	54.4
121.10072	47.0
123.08017	6.3
123.11664	13.3
131.08557	13.2
133.10071	34.5
135.11655	38.3
145.10081	34.7
147.11620	35.1
149.13255	10.0
157.10089	10.3
159.11630	15.2
161.13177	13.6
172.11014	6.2
173.13338	6.5
175.14836	9.8
201.16275	9.1
215.18011	8.5
263.38229	6.1
423.36017	7.9
451.03586	6.3
459.30832	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	460.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	0.2
55.05448	7.2
57.05766	0.3
61.37798	0.2
69.03350	1.0
70.06507	1.3
72.08066	100.0
73.08395	0.5
85.02824	2.1
97.02787	0.3
99.04424	0.2
116.07050	1.9
117.07443	0.3
118.08594	42.4
119.08966	0.4
127.03881	1.1
131.42409	0.2
145.05043	0.2
194.64043	0.2
313.93103	0.2
333.12460	0.3
354.92776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	7.9
56.04966	4.1
57.07003	1.2
58.14095	0.9
67.05424	6.4
69.06987	2.1
71.08535	1.6
79.05417	4.3
81.03328	1.3
81.06973	7.1
83.04900	1.3
83.08547	3.8
84.04429	100.0
85.02849	1.1
86.09586	3.5
90.12313	1.2
91.05407	6.2
92.10255	1.0
93.06952	4.9
95.08547	3.9
97.06470	1.0
97.10085	1.6
100.11153	1.2
102.05465	16.3
103.87552	0.8
105.06979	3.6
107.08523	3.5
119.04883	1.2
119.08519	2.3
121.10078	1.4
125.09602	1.1
130.04964	40.9
131.05313	1.1
132.10106	1.0
133.10095	1.7
145.02798	1.5
146.06099	1.6
147.04402	1.9
147.07635	1.9
147.11649	1.6
148.06023	8.7
163.11057	1.3
176.38806	1.0
177.05391	1.0
182.15382	1.0
207.06477	1.6
259.20718	1.1
277.21634	9.0
284.84769	1.1
295.22522	2.0
359.40216	1.1
442.27863	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	460.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	7.9
56.04966	4.1
57.07003	1.2
58.14095	0.9
67.05424	6.4
69.06987	2.1
71.08535	1.6
79.05417	4.3
81.03328	1.3
81.06973	7.1
83.04900	1.3
83.08547	3.8
84.04429	100.0
85.02849	1.1
86.09586	3.5
90.12313	1.2
91.05407	6.2
92.10255	1.0
93.06952	4.9
95.08547	3.9
97.06470	1.0
97.10085	1.6
100.11153	1.2
102.05465	16.3
103.87552	0.8
105.06979	3.6
107.08523	3.5
119.04883	1.2
119.08519	2.3
121.10078	1.4
125.09602	1.1
130.04964	40.9
131.05313	1.1
132.10106	1.0
133.10095	1.7
145.02798	1.5
146.06099	1.6
147.04402	1.9
147.07635	1.9
147.11649	1.6
148.06023	8.7
163.11057	1.3
176.38806	1.0
177.05391	1.0
182.15382	1.0
207.06477	1.6
259.20718	1.1
277.21634	9.0
284.84769	1.1
295.22522	2.0
359.40216	1.1
442.27863	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	460.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	4.7
55.01809	8.6
55.05455	32.8
57.03361	4.0
57.07008	5.3
67.05431	94.2
69.03344	24.2
69.06982	38.8
71.04906	10.8
71.08537	3.2
73.02827	5.5
79.05415	32.9
81.03338	34.0
81.06974	100.0
83.04896	5.1
83.08537	14.9
85.02838	24.1
88.02138	4.8
88.05032	3.9
91.05410	21.9
93.06969	47.9
95.04892	5.1
95.08533	72.2
97.02811	35.0
97.06452	2.6
97.10117	4.7
99.04393	17.0
99.08036	2.4
99.85963	2.6
105.06973	22.2
105.44371	2.1
107.04911	2.4
107.08543	22.4
108.04387	3.2
109.02813	15.4
109.06454	2.1
109.10099	28.8
111.04453	2.3
116.05251	2.8
117.06989	3.9
119.08546	19.5
121.06447	3.2
121.10069	16.8
123.08028	4.1
123.11660	13.1
127.03858	16.6
129.06950	3.0
131.08543	3.7
133.10089	14.0
135.11685	4.9
137.13197	3.6
139.11186	2.4
145.04942	4.6
145.10162	3.5
147.11702	5.4
149.13200	3.7
151.07501	9.8
161.13248	3.7
163.14714	4.1
167.06902	2.5
175.14883	3.4
192.39864	2.5
232.18263	2.4
245.22691	4.0
263.23746	16.3
310.81995	2.4
319.16333	2.5
343.26300	2.7
353.24741	3.1
371.25769	10.5
389.26718	10.3
407.27762	13.3
425.28943	19.1
459.32663	14.0
460.33276	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19268	2.0
53.03882	11.6
54.81052	2.3
55.01817	9.6
55.05455	39.3
57.03371	14.0
57.07008	11.7
61.02861	14.0
67.05079	3.9
67.05427	93.8
69.03352	49.6
69.06989	45.4
71.04918	10.5
73.02808	3.3
75.55201	2.6
78.23772	2.3
79.05412	37.9
81.03331	78.6
81.06976	100.0
83.04893	3.9
83.08533	17.3
85.02342	4.5
85.02827	89.5
85.13652	2.4
88.07565	2.9
91.05389	24.1
93.06961	39.9
95.04885	5.5
95.08531	66.1
97.02814	46.6
97.06490	4.8
97.10079	5.7
99.04375	6.0
105.06963	27.4
107.08540	28.2
108.04403	6.1
108.08908	2.5
109.02857	26.3
109.10104	26.9
111.04396	3.4
117.06956	5.2
119.08537	22.9
121.06493	3.1
121.10096	14.9
123.07962	2.9
123.11662	13.8
127.03856	18.8
128.82565	2.6
131.08531	5.8
133.10081	12.2
135.11688	3.8
137.13237	4.1
142.07790	2.7
143.08554	3.2
145.04935	16.3
145.10127	9.1
147.08026	3.0
147.11617	8.9
149.13287	4.5
151.07513	17.6
152.78560	2.7
161.13251	5.5
171.11642	3.2
180.08589	4.8
191.10686	4.9
205.12111	2.9
245.22662	4.1
263.23679	9.5
280.60626	2.5
343.25720	2.8
353.24457	3.9
371.25610	12.7
377.27567	3.0
389.26834	13.0
407.27911	14.0
425.28702	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	460.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	17.4
55.01809	16.2
55.05447	32.8
56.11391	6.1
56.96500	27.3
57.03370	9.4
57.07011	14.2
64.33548	8.2
67.05186	5.0
67.05434	87.6
69.03335	60.1
69.06985	34.5
69.45465	5.8
71.04910	9.4
71.08544	7.6
74.05991	7.6
79.05414	27.2
81.03335	68.3
81.06969	99.7
83.08535	9.0
85.02826	9.9
91.05407	34.7
93.06980	52.2
95.08535	79.1
97.02826	57.2
97.06464	9.9
97.10093	8.1
99.04372	100.0
105.06974	14.7
107.08530	33.3
107.40151	6.7
109.02831	48.9
109.10104	17.4
119.08551	15.4
121.10098	14.4
123.08010	16.2
123.11664	8.6
127.03867	78.7
131.08603	7.4
135.11694	10.5
140.03391	6.8
145.04959	7.8
151.07561	55.1
161.13142	9.1
165.09061	7.3
191.10611	13.8
263.23727	12.9
278.50937	8.5
350.23660	16.8
376.21338	28.5
386.96439	8.7
413.00320	7.6
425.28973	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	460.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	27.5
56.44536	6.2
65.24170	4.9
67.05426	38.9
69.06981	48.5
79.05415	28.2
81.06982	100.0
83.08532	14.7
91.05397	31.9
93.06971	69.9
95.08541	71.3
97.06461	11.2
105.06972	32.7
107.08518	70.5
109.10123	71.0
117.06985	6.3
119.08533	39.5
121.10100	28.6
123.03283	6.4
123.11677	24.4
131.08557	11.6
133.10106	10.2
135.11650	35.4
145.10065	14.9
147.11681	8.0
159.11644	12.2
173.13222	6.5
175.14809	6.6
177.16301	7.4
196.59857	6.3
211.56779	7.1
257.22675	8.0
399.02493	7.4
411.53552	6.8
424.92645	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	460.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	2.2
55.05445	20.0
57.07001	10.6
59.04935	2.1
67.05415	33.0
68.70600	2.5
69.06982	51.6
79.05396	18.1
81.06967	100.0
83.08546	4.5
87.43787	2.3
91.05394	21.7
93.06966	55.0
95.04895	3.8
95.08526	48.3
105.06955	34.4
107.08530	56.6
108.87156	2.5
109.10085	43.9
119.08537	26.8
121.08365	3.0
121.10087	36.9
122.07864	2.5
122.13995	2.4
123.11642	11.2
131.08527	5.7
133.10065	14.2
135.11668	20.4
137.13229	3.5
143.08559	2.5
145.10103	8.5
147.11700	21.4
149.13229	14.2
157.10161	2.5
159.11674	12.2
161.13139	2.7
164.69341	2.8
173.13271	3.6
175.14735	4.3
189.16281	3.7
201.16405	3.5
209.26039	2.4
356.16269	2.9
407.36194	3.4
450.55502	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.0
55.46481	0.2
56.04970	0.4
56.96498	0.2
57.03360	0.5
60.04453	0.2
69.03351	2.4
70.06509	1.8
71.04914	0.3
72.08073	1.1
73.02823	0.3
78.04633	0.3
79.05389	0.2
81.03336	5.4
84.04424	1.2
84.08063	0.4
85.02840	2.7
86.09613	1.1
89.03844	8.2
91.05399	1.7
97.02852	0.9
99.04383	0.4
103.05381	0.3
106.04165	0.3
106.38412	0.2
107.04915	0.4
109.02820	1.7
110.07144	1.1
117.03331	31.3
118.03668	0.3
119.04913	0.5
121.02799	0.3
127.03840	1.0
130.06497	0.3
134.03574	2.5
135.04393	2.6
137.63457	0.2
138.28157	0.3
145.02831	82.5
146.03148	2.0
147.04387	2.0
149.05966	12.8
162.05460	2.0
163.03911	1.9
177.05440	100.0
178.05806	2.2
186.05441	0.4
187.14253	0.2
195.06505	1.1
220.37962	0.2
282.02759	1.1
321.09689	2.6
339.10730	3.1
341.65369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03871	0.7
53.90016	0.3
54.18737	0.3
55.01801	0.3
56.04969	0.5
57.03357	0.6
60.04423	0.3
61.02827	0.3
69.03352	3.6
70.06499	1.6
71.02093	0.3
72.08061	0.6
74.69480	0.3
79.05394	1.8
81.03334	5.0
83.04897	0.5
83.06049	0.4
84.04419	1.9
84.08049	0.8
85.02837	3.4
86.09624	0.8
87.04419	0.5
89.03838	5.3
91.05398	3.7
95.04925	0.4
97.02816	2.0
98.97525	0.3
101.05963	0.9
105.06991	0.7
107.04898	4.0
109.02822	2.3
110.07111	0.4
117.03329	7.8
119.04894	11.8
120.08040	0.4
124.03897	0.8
124.47883	0.3
126.06616	1.4
127.03857	1.6
129.10199	0.5
130.04994	0.4
130.06471	1.9
130.21460	0.3
134.99567	0.4
135.04385	24.6
136.04750	0.5
140.86296	0.5
145.02826	18.6
147.04390	36.3
148.04778	0.6
162.05438	0.7
163.03865	100.0
164.04140	3.1
165.05446	0.4
175.11171	0.8
176.11475	0.6
177.05521	0.6
181.04904	1.7
291.08362	0.5
307.08038	2.1
309.09586	0.5
325.09109	2.4
400.16620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80237	0.5
69.03317	0.8
72.08073	1.0
81.36166	0.7
85.02807	1.2
89.48867	0.6
97.02825	1.0
98.97494	1.1
112.03662	4.4
115.50233	0.7
116.98543	1.6
134.99648	1.1
153.05182	3.1
177.00693	0.9
182.72795	0.7
220.10229	1.0
224.08875	5.6
237.02718	1.4
242.09952	100.0
243.10237	1.5
251.88202	0.7
266.59668	0.8
278.54745	0.8
381.10559	0.8
386.15442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00386	0.3
50.82133	0.3
51.89699	0.3
54.81957	0.4
56.04981	0.3
56.06073	0.4
56.96490	0.4
66.67166	0.3
69.03329	1.4
70.06508	2.6
71.04874	0.4
72.08061	3.3
73.02828	0.5
79.05443	0.4
79.77174	0.4
81.03362	0.5
84.04427	0.6
84.08056	0.9
85.02834	2.3
86.09599	1.4
87.80444	0.4
89.03835	10.6
91.05409	3.0
93.06958	0.5
97.02808	3.1
98.06042	0.6
98.97563	0.4
103.05418	0.5
105.07016	0.8
107.04868	0.4
109.02838	0.5
110.07135	0.9
115.08692	0.8
117.03326	36.9
118.03638	0.5
118.06490	0.5
119.04897	3.3
121.02808	0.9
124.03905	2.0
124.05206	0.5
129.10161	0.5
130.06477	0.6
134.03590	2.6
135.04375	4.0
137.05980	1.9
145.02823	100.0
146.03200	2.1
147.04384	4.3
149.05962	14.1
149.67542	0.4
151.03912	0.8
151.07564	0.6
158.05896	0.4
161.05942	0.5
162.05463	2.4
162.06712	0.9
163.03865	3.5
175.03914	1.9
177.05431	93.5
178.05780	3.4
179.07002	3.8
184.04507	0.5
186.05402	1.6
201.05399	0.8
205.34019	0.5
207.06467	0.7
264.14542	0.5
265.15366	2.1
282.02661	0.6
305.07816	0.5
325.10715	1.4
337.10645	0.7
341.09955	0.6
355.11569	0.9
373.12668	2.5
437.24997	0.4
444.20090	0.7
457.74533	0.5
461.22812	8.3
462.22491	0.6
473.76486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23445	0.9
56.96487	1.1
63.68591	1.2
64.69210	1.1
65.04477	1.2
69.03381	1.4
70.06504	2.4
72.08065	12.4
84.04421	1.7
85.02808	2.5
86.09628	1.4
89.10700	7.8
91.05409	1.6
97.02798	1.5
110.07131	2.9
116.98536	1.9
119.04892	13.7
120.04425	10.3
129.06519	1.2
134.99631	1.5
147.04387	100.0
153.88531	1.1
162.05470	6.6
175.30856	1.1
208.06061	1.4
218.11714	7.5
235.14337	30.3
237.02635	1.2
256.67148	1.5
348.06552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94784	0.5
53.75413	0.5
55.01797	1.1
55.05440	4.4
57.03363	1.6
61.02844	1.3
65.03877	1.2
67.05421	7.7
69.03347	16.5
69.06985	1.3
71.04899	2.7
79.05402	4.1
81.03329	2.7
81.06959	3.8
83.04895	5.2
85.02829	14.9
87.04371	0.9
87.70692	0.6
91.05400	8.0
93.03327	0.7
93.06981	10.3
95.04889	14.1
95.08542	6.2
97.02835	5.1
97.06456	2.5
99.04373	1.3
104.05810	0.7
104.93779	0.7
105.06969	17.7
107.04871	1.0
107.08537	6.7
109.02833	1.6
109.06470	7.9
111.04382	8.3
111.08026	2.8
113.05942	4.0
115.05370	0.8
117.06957	4.4
119.08528	23.0
121.02816	3.1
121.06443	11.8
121.10100	5.5
123.04366	0.9
123.08025	10.6
127.03903	1.2
128.06226	0.9
129.06955	3.7
131.08522	11.6
133.06444	3.2
133.10085	6.2
135.08008	20.9
137.05894	0.6
137.09560	2.8
139.03850	1.4
139.07497	1.2
141.06950	1.5
142.07739	1.4
143.08528	4.8
144.09319	1.2
145.06462	3.8
145.10077	10.1
146.05960	0.8
147.08014	11.5
147.11670	3.9
149.05980	0.8
149.09599	4.1
151.07523	1.4
154.07806	0.9
155.08517	2.7
156.09354	1.6
157.10107	7.4
158.07254	6.7
158.10843	0.8
159.08022	12.3
159.11647	12.6
160.08778	1.5
161.06093	0.7
161.09595	13.3
161.13245	0.8
162.05431	1.1
163.07451	1.0
165.09076	7.7
168.09314	1.6
169.10065	0.8
171.07990	1.5
171.11627	4.2
172.08759	7.2
173.09590	5.6
173.13257	9.6
175.07501	19.6
175.11145	11.7
181.09979	0.8
183.11620	6.4
184.08932	0.7
185.09572	3.3
185.13104	0.8
186.10252	0.9
187.11160	10.3
189.09056	5.4
189.12692	5.1
193.08607	5.2
193.10039	0.9
196.08832	1.4
199.11133	10.5
201.12691	10.7
203.10628	11.1
205.12236	2.8
207.10165	1.0
211.11206	8.1
217.12218	8.0
219.13728	2.7
221.11528	0.8
229.12192	8.4
235.13239	1.3
243.36650	0.6
247.13223	28.8
247.70921	0.8
265.14279	100.0
266.14584	3.8
281.97086	0.7
291.21036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	1.4
54.43340	0.9
55.05446	17.7
56.04972	66.4
56.65447	0.8
57.03373	1.1
59.15099	0.8
61.01074	31.5
61.01570	1.0
67.05409	5.6
69.03352	2.1
69.06963	4.0
71.08533	6.4
74.02344	2.1
74.05969	5.3
76.02122	4.3
79.05388	6.5
80.16747	1.0
81.03321	5.2
81.06970	7.8
83.08533	10.6
84.04408	10.1
85.02821	1.9
86.98979	0.9
87.02605	12.9
87.95305	1.0
91.05370	4.1
93.06962	4.1
95.08517	5.0
95.64849	1.0
97.02825	0.9
97.10085	11.7
99.08013	2.1
100.11173	2.5
102.05459	18.2
104.05254	91.1
105.00071	1.3
105.06979	1.8
107.08507	5.4
109.02821	2.5
111.70074	0.9
116.01638	1.3
119.08520	1.5
122.29098	0.9
124.03896	1.5
125.09544	7.8
130.04948	2.4
133.03145	69.6
146.05963	6.5
147.04364	1.8
150.05803	100.0
151.11122	4.9
160.70711	1.0
162.02121	1.7
162.05440	6.2
177.05412	1.2
181.04869	1.2
182.15498	1.4
189.11154	5.1
192.58051	0.9
210.14847	1.5
230.19470	1.2
238.03911	1.3
254.03183	1.3
256.04785	1.4
266.03363	4.3
277.21451	1.9
282.02847	4.0
293.20859	4.5
363.07684	1.8
463.17758	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32309	0.3
55.05449	4.9
56.04974	18.5
58.99518	0.4
61.01076	8.5
67.05436	3.4
69.06988	0.4
70.06509	0.6
71.08543	1.6
72.08086	0.5
74.05976	1.5
74.13036	0.4
76.02151	1.0
78.90173	0.4
79.05405	2.1
81.06968	3.3
82.06474	0.4
83.04872	0.4
83.08528	2.8
84.04425	3.3
85.02808	0.6
85.06397	0.4
87.02625	3.0
91.05384	1.6
92.10210	1.3
93.06962	2.5
95.04860	0.6
95.08530	1.6
97.10095	1.8
99.08009	0.7
100.11183	3.1
102.05485	4.4
104.05263	22.6
105.06931	0.5
107.08530	0.7
109.10088	1.5
121.06415	1.4
124.95568	0.4
125.09583	2.0
133.03156	18.7
145.02849	1.0
150.05818	21.7
151.11211	0.8
162.02188	0.6
167.26796	0.4
173.11771	0.7
177.05396	1.5
178.32074	0.4
182.15421	0.8
184.01303	0.5
192.07846	0.7
210.14816	1.0
262.19376	0.4
287.13568	0.5
291.10104	0.4
447.14984	0.8
448.16006	0.5
453.83615	0.6
462.17255	0.5
463.18286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33066	0.3
55.05448	2.5
57.07009	0.6
59.95663	0.3
60.05566	0.3
61.36337	0.3
67.05435	4.5
69.03354	0.6
69.06985	2.6
71.04895	1.9
71.91320	0.3
79.05401	2.1
81.06972	8.4
83.04904	0.6
83.08556	0.4
89.21814	0.3
91.05407	1.6
92.10931	0.3
92.63869	0.4
93.06966	5.0
95.07960	0.6
95.08533	10.9
97.10121	0.4
105.06964	3.2
107.08548	5.7
109.10114	6.0
111.04384	1.8
111.08012	0.4
119.08521	2.5
121.06447	0.6
121.10114	3.3
122.94691	0.3
123.08029	11.3
123.11665	3.0
126.20448	0.3
127.11147	1.4
133.10089	2.9
135.08081	2.5
135.11639	4.7
137.13217	0.6
143.74069	0.4
145.10156	0.8
147.11687	1.6
149.09596	0.6
149.13193	0.5
151.07521	100.0
152.07854	2.1
153.12746	1.7
159.07956	0.4
159.11659	0.5
161.09612	0.4
161.13213	0.5
163.11122	2.2
163.14798	0.4
165.09119	2.9
173.09575	1.8
175.11150	0.5
175.14775	0.3
176.08310	2.1
177.09061	5.8
187.11041	0.7
189.09044	0.8
190.09828	0.4
191.10637	22.5
191.17917	1.3
192.10976	0.4
202.09811	0.4
203.10603	2.4
203.17963	0.8
205.12209	12.6
217.12164	0.8
219.13739	1.8
219.65475	0.3
231.13733	0.6
245.22601	2.0
257.15515	0.4
287.20004	0.6
341.24536	0.7
409.30728	2.2
427.31723	2.4
462.41525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1832
Annotation	Glu Glu Trp
Peak:m/z	Relative Intensity
50.91290	0.4
52.22336	0.5
55.22118	0.5
56.04964	0.8
65.19376	0.4
84.69191	0.5
87.02600	0.6
103.65604	0.5
104.05257	0.7
112.87455	0.5
133.03156	1.3
137.77715	0.5
150.05832	0.9
373.74374	0.6
463.18307	100.0
464.18622	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	463.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15104	0.4
53.29558	0.4
55.05455	0.8
56.04970	3.0
74.00584	0.5
74.83946	0.4
76.02143	1.9
79.05383	0.5
80.45506	0.5
84.04430	3.9
85.02848	0.4
88.94193	0.5
93.07014	0.5
95.04881	0.6
95.08558	0.5
101.98213	0.4
102.05495	0.9
104.05257	4.1
116.01646	0.6
130.04967	1.9
133.03172	2.3
150.05806	4.2
151.11197	1.8
157.60373	0.5
162.02185	0.7
199.03650	0.7
233.05779	0.5
287.13589	1.0
289.48935	0.6
293.21124	0.7
311.72995	0.5
448.15704	0.9
463.18295	100.0
463.32129	9.7
464.18695	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	464.1523
Annotation	Trp-His-OH
Peak:m/z	Relative Intensity
55.05436	1.2
69.03344	1.8
70.06500	4.7
72.08065	2.2
84.08073	2.3
85.02835	2.5
86.09628	2.2
91.05404	2.5
97.02817	1.8
97.14920	1.0
98.05991	9.6
105.06965	1.3
109.02850	1.2
110.07190	1.3
115.08618	8.8
119.04927	5.9
121.02783	8.6
136.07559	4.6
145.02776	2.7
145.10097	1.1
147.04376	12.9
162.05434	1.5
165.86324	1.1
175.47966	1.4
177.05470	1.5
182.08147	1.1
273.02798	1.1
464.15155	100.0
465.15344	5.8
465.29593	1.4
474.18259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53210	0.2
53.03878	0.3
54.81693	0.1
57.03364	0.3
57.12606	0.2
58.00821	0.2
60.60062	0.1
61.02839	0.3
64.33349	0.1
65.05972	0.1
65.46611	0.1
69.03349	1.6
70.06512	0.6
72.08077	0.2
73.02812	0.2
79.05396	1.0
81.03336	3.7
84.08059	0.2
85.02832	4.1
87.04382	0.2
89.03834	3.4
97.02823	1.4
99.04394	0.6
105.03337	0.3
107.04885	1.6
109.02820	1.9
110.07084	0.3
116.84020	0.2
117.03331	5.4
123.96146	0.1
127.03856	0.8
135.04381	17.7
136.04756	0.2
143.15994	0.2
145.02823	13.7
145.04715	0.4
162.05464	0.3
163.03865	100.0
164.04164	1.9
177.05432	0.3
181.04945	1.9
186.05563	0.2
189.00360	0.7
245.66508	0.2
282.02701	0.2
285.09332	0.2
307.08029	2.6
316.04630	0.2
325.09116	4.5
326.09509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00231	1.4
53.03880	1.4
55.01816	2.0
56.22231	0.9
57.03103	1.1
57.03374	32.9
59.04927	6.8
60.04445	2.6
61.02851	5.0
66.28504	1.0
68.82156	0.8
69.03349	100.0
69.77784	1.1
70.06480	1.2
73.02818	4.5
75.04395	8.4
81.03342	4.5
85.02827	65.9
87.03869	2.1
87.04395	52.8
91.03886	1.4
91.05404	1.3
96.82113	0.9
97.02820	61.2
99.04385	2.0
101.02292	1.4
107.04916	7.4
109.02856	1.8
115.03885	53.4
123.04341	1.1
127.03879	6.3
131.04854	16.6
133.04933	46.7
141.01781	2.5
145.04913	7.0
149.05937	4.3
150.07584	13.1
163.05968	2.2
173.05971	2.6
174.29176	1.0
177.05431	5.2
189.05429	4.4
231.06462	2.0
235.09496	1.0
259.08008	1.4
264.72418	1.3
387.05618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	4.0
56.96495	0.7
57.03371	9.4
59.04932	7.9
61.02864	4.5
69.03349	25.4
70.06490	0.8
71.04895	1.2
73.02824	0.9
73.06456	2.8
75.04399	5.3
80.71719	0.6
84.04431	0.8
85.02818	7.4
86.09596	0.6
87.04387	8.1
92.54542	0.7
97.02808	9.0
98.97508	0.8
101.05953	14.1
103.05379	1.1
110.03469	2.4
111.04396	0.7
115.03882	4.4
120.08051	17.9
121.08404	0.8
127.06158	0.6
128.04507	2.7
129.05449	3.4
131.04913	0.9
136.01405	9.5
147.06497	11.6
153.04048	100.0
154.02449	10.5
166.07285	0.6
166.08629	3.4
196.36623	0.6
299.09821	3.2
422.60117	0.6
465.15207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17467	0.5
53.54219	0.5
55.01803	1.2
55.05436	3.7
56.96484	0.6
59.72210	0.6
67.05418	4.6
69.03334	1.3
69.06981	1.2
71.08528	1.4
72.85953	0.6
79.05402	1.3
81.03311	2.8
81.06964	5.5
81.71411	0.6
83.04871	0.8
83.08511	1.1
85.02824	2.8
86.09634	0.7
87.00744	0.8
89.03841	1.3
91.05404	3.1
93.06941	2.3
95.08508	2.9
96.89026	0.6
97.02787	0.9
97.06499	0.8
97.10095	3.4
99.08034	0.9
103.05389	4.6
105.06966	1.4
107.08520	1.5
111.08006	0.7
115.05419	0.8
117.03330	3.0
117.06998	0.7
125.09602	1.4
136.06143	14.9
141.06943	3.9
142.77583	0.6
145.02820	6.5
146.03107	1.1
147.04382	1.1
149.02318	1.2
152.05638	10.9
153.04138	0.6
153.06973	4.7
161.13191	0.7
165.06946	18.2
166.07744	38.5
167.08015	1.0
177.05414	6.4
178.05707	0.9
178.59978	0.7
179.08510	5.7
181.10072	100.0
182.10356	3.1
189.11108	1.5
189.90730	0.6
193.04901	1.5
195.11734	0.8
195.13828	0.8
275.60577	0.7
277.21475	3.1
287.04318	0.9
289.11975	0.9
293.20853	1.0
295.22604	1.1
422.39590	0.6
464.18152	1.1
464.28506	3.0
465.11127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96505	14.0
72.98689	0.6
91.81734	0.7
95.08555	1.0
98.97511	43.8
114.36204	0.7
116.98569	72.7
122.03584	3.9
131.02802	0.8
134.99625	78.9
137.05954	64.3
138.06329	1.1
140.00171	1.5
153.00679	20.8
158.01198	3.3
176.02348	0.8
197.01141	3.8
198.01926	0.8
211.02756	1.1
215.02190	1.2
220.00403	1.2
224.09450	0.9
226.11079	16.0
235.02727	27.4
238.01465	3.3
242.10611	1.2
244.12164	18.5
253.03784	100.0
254.03909	1.5
268.12219	3.2
271.04797	10.4
276.05450	5.3
286.13281	1.2
329.12903	1.0
344.15268	2.8
362.16464	1.5
404.17358	80.8
405.17688	3.1
464.29971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	1.1
55.05449	9.3
56.04954	1.0
57.03366	4.6
58.99518	13.8
61.02851	1.1
67.05419	6.8
69.03332	4.4
69.06977	4.9
70.06505	2.8
71.04891	1.8
71.08551	1.9
72.08055	2.2
76.02142	100.0
76.03903	2.5
78.21014	1.2
78.99073	0.9
79.05422	13.3
81.06974	2.7
83.04901	36.1
83.05980	1.3
84.04430	36.4
84.08064	1.2
85.02818	2.4
86.98982	6.0
91.05403	2.1
92.10258	2.3
93.06967	10.7
95.04866	1.2
95.08517	6.3
97.02840	1.5
105.06979	1.5
106.13059	1.1
110.06973	1.0
116.00826	1.7
116.01629	29.5
117.03303	1.2
119.04861	1.8
120.08027	2.0
121.10112	2.2
124.03908	1.8
127.03928	1.3
130.04979	15.1
139.11153	53.3
142.03209	10.8
144.01096	13.5
145.02802	5.4
146.05983	2.3
147.04382	7.4
153.01817	1.7
162.02182	34.9
162.05399	1.1
170.02621	2.4
177.05392	2.5
179.04825	39.1
187.05408	1.6
215.04750	1.5
233.05829	15.2
245.05878	2.4
291.06375	1.5
303.08383	1.3
308.09085	38.1
374.99548	1.1
470.59811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	1.1
55.05449	9.3
56.04954	1.0
57.03366	4.6
58.99518	13.8
61.02851	1.1
67.05419	6.8
69.03332	4.4
69.06977	4.9
70.06505	2.8
71.04891	1.8
71.08551	1.9
72.08055	2.2
76.02142	100.0
76.03903	2.5
78.21014	1.2
78.99073	0.9
79.05422	13.3
81.06974	2.7
83.04901	36.1
83.05980	1.3
84.04430	36.4
84.08064	1.2
85.02818	2.4
86.98982	6.0
91.05403	2.1
92.10258	2.3
93.06967	10.7
95.04866	1.2
95.08517	6.3
97.02840	1.5
105.06979	1.5
106.13059	1.1
110.06973	1.0
116.00826	1.7
116.01629	29.5
117.03303	1.2
119.04861	1.8
120.08027	2.0
121.10112	2.2
124.03908	1.8
127.03928	1.3
130.04979	15.1
139.11153	53.3
142.03209	10.8
144.01096	13.5
145.02802	5.4
146.05983	2.3
147.04382	7.4
153.01817	1.7
162.02182	34.9
162.05399	1.1
170.02621	2.4
177.05392	2.5
179.04825	39.1
187.05408	1.6
215.04750	1.5
233.05829	15.2
245.05878	2.4
291.06375	1.5
303.08383	1.3
308.09085	38.1
374.99548	1.1
470.59811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	2.4
55.01816	2.2
56.96502	0.3
57.03373	5.7
61.02563	0.4
61.02857	10.0
67.78866	0.3
69.03352	18.9
70.06508	1.6
71.04911	3.3
72.08068	1.3
73.02831	4.4
81.02869	0.5
81.03336	8.1
83.01264	0.4
84.04424	1.2
84.08072	0.6
85.02831	100.0
86.03146	1.4
87.04379	2.3
89.03828	0.3
91.03877	4.4
95.04866	1.0
97.02826	26.8
98.06029	0.4
99.04395	5.2
101.02338	0.5
103.03904	0.5
105.03335	14.2
105.06972	6.3
106.03641	0.3
109.02831	9.1
115.03893	1.3
117.03344	0.7
119.04900	0.4
119.08576	0.3
123.04371	0.7
127.03881	22.4
128.04312	0.3
129.10162	0.5
145.02841	2.3
145.04941	28.0
146.03110	0.4
147.04402	1.2
147.07993	0.6
163.05992	9.4
177.05406	2.7
178.05794	0.5
184.09642	1.8
212.09215	1.8
267.08475	2.6
285.13263	2.6
325.11276	1.6
332.40564	0.3
388.09097	0.3
404.75549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51831	1.2
55.91537	1.1
60.08092	12.1
67.05420	3.0
69.07008	1.2
71.07284	2.5
71.64389	1.0
71.94125	1.3
75.83285	1.4
81.06971	6.0
82.43227	1.4
86.09633	55.1
87.93660	1.2
93.06979	2.0
95.08544	2.2
98.98390	5.3
104.10677	5.7
114.76178	1.2
124.99969	40.4
133.06432	2.1
138.48845	1.2
149.02356	2.1
152.38452	1.4
174.71144	1.1
184.07307	100.0
251.05833	1.3
405.18924	1.8
423.20099	1.7
446.26804	1.8
464.18814	1.6
464.27728	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	465.1392
Annotation	Okanin 4-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
53.03872	0.9
54.81741	0.4
55.01813	1.6
55.05446	0.5
57.03372	3.1
57.20658	0.3
58.99499	0.5
61.02852	3.4
67.01774	2.6
68.99698	2.3
69.03342	8.0
70.06496	0.6
71.04909	0.6
73.02803	0.6
76.02151	3.8
78.10736	0.3
79.05392	0.5
81.03355	4.0
83.04881	1.7
84.04406	0.6
85.02825	18.9
85.89630	0.4
86.09607	0.5
89.03828	2.9
91.05379	0.9
95.04871	0.7
97.02826	6.4
99.72099	0.4
108.03267	0.4
109.02795	1.9
111.00755	0.5
111.04420	0.5
116.01646	0.8
117.03319	12.6
119.04877	0.7
121.02816	2.9
123.04379	2.3
124.03915	2.4
125.02367	0.6
125.05939	0.9
127.03886	1.9
129.01839	0.6
134.99324	0.4
135.04346	2.9
137.05972	3.0
139.11154	0.9
145.02820	35.5
147.04353	1.9
149.02359	0.5
149.05971	5.7
151.03856	2.4
151.07533	3.1
153.01796	100.0
154.02156	1.0
163.03851	5.0
165.01817	4.8
171.02838	15.8
175.03860	0.5
177.01781	1.8
177.05421	46.8
179.03387	7.2
179.04796	0.9
183.02858	5.5
189.01752	0.6
191.03423	3.9
195.02859	15.0
203.03355	0.5
205.04858	1.0
207.02908	0.7
215.03413	0.5
217.66527	0.6
219.02866	6.4
219.06381	0.6
231.02818	3.7
232.66278	0.5
243.02771	0.5
249.03877	3.7
261.03857	2.5
268.08234	0.6
279.04874	0.5
285.07550	0.7
297.05988	0.7
303.08557	68.8
304.08765	2.3
308.09122	0.7
315.08554	2.7
327.08597	0.9
345.09537	0.9
369.09564	1.8
381.09671	1.7
411.10513	0.7
429.11615	0.6
447.01126	0.5
483.31049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	3.6
55.05453	43.0
57.03368	16.3
57.07027	2.7
57.09261	2.0
57.49828	2.0
58.05008	1.9
61.03662	2.2
65.03872	2.2
67.05083	2.3
67.05424	57.3
69.06985	43.2
70.06478	2.6
70.94559	2.0
71.08531	9.5
79.05399	37.8
81.06512	2.7
81.06973	58.4
83.04881	4.7
83.08532	11.8
83.58980	2.1
85.06438	2.0
86.09597	2.4
91.05386	12.0
91.58433	2.0
92.65245	2.2
93.06966	35.8
95.08528	37.5
97.06440	5.0
97.10114	17.7
99.07998	3.8
104.10686	4.8
105.06969	8.5
107.08541	24.8
109.10110	20.8
111.08051	2.7
112.99959	100.0
113.67010	2.1
117.06932	4.8
119.08528	3.7
121.10075	8.7
125.09609	3.5
129.63060	2.6
131.00926	3.0
131.08418	2.6
132.41284	2.1
132.97382	2.1
133.10069	2.6
135.11665	15.2
145.10083	3.3
147.11678	2.7
152.10654	4.8
169.02570	5.3
173.11722	2.6
176.56792	2.0
180.10083	3.1
184.07175	3.0
187.03609	3.4
218.30321	2.0
243.20912	2.5
261.22180	4.5
279.23102	10.3
335.25821	9.4
353.26749	63.0
405.18726	2.5
423.20303	2.5
451.47189	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	3.6
55.05453	43.0
57.03368	16.3
57.07027	2.7
57.09261	2.0
57.49828	2.0
58.05008	1.9
61.03662	2.2
65.03872	2.2
67.05083	2.3
67.05424	57.3
69.06985	43.2
70.06478	2.6
70.94559	2.0
71.08531	9.5
79.05399	37.8
81.06512	2.7
81.06973	58.4
83.04881	4.7
83.08532	11.8
83.58980	2.1
85.06438	2.0
86.09597	2.4
91.05386	12.0
91.58433	2.0
92.65245	2.2
93.06966	35.8
95.08528	37.5
97.06440	5.0
97.10114	17.7
99.07998	3.8
104.10686	4.8
105.06969	8.5
107.08541	24.8
109.10110	20.8
111.08051	2.7
112.99959	100.0
113.67010	2.1
117.06932	4.8
119.08528	3.7
121.10075	8.7
125.09609	3.5
129.63060	2.6
131.00926	3.0
131.08418	2.6
132.41284	2.1
132.97382	2.1
133.10069	2.6
135.11665	15.2
145.10083	3.3
147.11678	2.7
152.10654	4.8
169.02570	5.3
173.11722	2.6
176.56792	2.0
180.10083	3.1
184.07175	3.0
187.03609	3.4
218.30321	2.0
243.20912	2.5
261.22180	4.5
279.23102	10.3
335.25821	9.4
353.26749	63.0
405.18726	2.5
423.20303	2.5
451.47189	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20555	2.0
55.01814	4.9
55.05453	45.7
57.03368	18.7
57.07020	3.2
65.32465	2.4
67.05427	64.9
69.06982	44.1
71.08543	3.8
79.05412	41.1
81.06982	52.6
83.04888	4.5
83.08542	15.5
90.15338	2.6
90.37622	2.5
91.05400	18.2
92.10238	4.8
93.06968	32.0
93.97229	2.7
95.08521	40.5
95.09026	3.5
97.06499	4.5
97.10112	10.9
99.08011	4.1
105.06980	6.6
105.55029	2.8
107.08521	28.5
109.10113	27.5
111.07988	3.2
112.99963	100.0
117.06986	3.5
119.08563	5.3
119.89774	2.5
121.10117	15.2
123.11642	3.7
125.09568	5.7
135.11662	19.5
145.10109	3.0
153.12764	3.9
169.02589	13.0
177.99847	2.8
243.21046	3.3
261.22058	14.2
279.23114	12.9
335.25864	14.5
353.26764	75.4
456.54471	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	465.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	6.4
57.03364	1.7
57.07006	1.6
67.05426	7.8
69.06985	8.3
71.08552	1.6
76.47946	0.9
79.05394	6.4
81.06976	10.9
83.08540	1.8
91.05377	1.9
93.06960	6.5
95.08538	7.5
98.98437	1.5
104.25798	1.0
105.06931	1.3
107.08510	4.4
109.10068	1.8
111.15072	1.0
112.99966	10.9
115.05383	1.2
117.05686	1.5
117.06952	1.3
118.06486	23.1
119.08556	1.2
121.10106	2.3
123.08041	1.2
130.06499	15.4
132.08052	25.2
135.11702	1.2
142.06503	7.2
143.07280	1.3
144.08058	17.9
146.05991	86.8
147.06290	1.4
156.60948	1.0
159.09148	49.4
160.07518	4.1
169.02560	4.8
170.05972	8.2
188.07030	100.0
189.07390	2.3
205.09680	21.8
233.03748	1.0
292.03043	1.1
337.27130	4.5
353.30460	7.2
419.30148	1.9
441.32883	1.0
465.30786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29585	0.2
55.05458	0.6
57.03368	0.3
57.07012	0.6
58.06537	0.3
67.05439	1.9
69.06987	14.0
71.08529	0.4
71.21606	0.2
75.33549	0.2
79.05389	0.4
81.06973	2.1
86.09629	100.0
87.09952	2.1
89.05955	1.9
89.37708	0.3
93.06970	0.6
95.08519	1.8
105.06979	0.3
109.10088	1.0
113.00012	0.5
114.41016	0.3
121.10100	0.3
133.08595	0.4
133.10086	0.3
152.89983	0.3
153.84171	0.3
159.88545	0.3
182.27187	0.3
337.27295	0.6
348.32498	11.2
349.32932	0.4
376.31952	3.7
387.17267	0.3
417.45856	0.3
477.95770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	1.7
67.05429	2.8
72.21608	1.8
95.08522	2.4
104.35736	2.0
149.81189	2.0
153.05487	2.0
337.27509	3.0
380.10962	2.1
465.36990	100.0
465.50711	2.2
466.37518	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	10.1
54.81938	2.5
55.01804	18.8
55.05444	6.3
56.04967	6.1
57.03366	5.9
57.07921	2.8
58.99515	3.1
60.04456	3.6
61.02841	10.5
67.05428	6.6
68.99705	3.0
69.03345	46.2
70.06502	12.4
71.04887	2.5
72.08062	17.3
73.02815	11.4
74.00575	45.3
76.03913	4.8
80.04925	3.5
80.80892	2.5
81.03333	47.7
84.04424	43.9
84.08057	6.5
84.86141	2.6
85.01036	5.0
85.02348	4.1
85.02823	100.0
85.03940	17.7
86.00550	4.2
86.09614	11.2
86.99003	3.5
87.00754	37.4
91.05403	10.9
92.01626	3.4
93.06965	13.3
93.42987	2.5
95.04884	6.4
95.08538	32.8
97.02818	34.1
98.05981	2.5
98.97513	4.4
99.04359	14.8
105.01793	18.1
105.06969	4.3
107.04875	3.7
109.02834	30.2
112.11194	4.6
116.01611	14.6
116.98561	4.2
117.01812	9.4
120.45603	2.5
121.02805	3.7
123.04381	19.2
123.07975	5.1
125.02297	2.7
127.03860	45.6
127.05756	4.7
129.06540	5.5
130.05003	21.3
131.04503	14.9
133.02803	12.0
134.06021	4.2
134.99557	3.1
136.07500	4.9
141.05450	39.6
144.01112	3.5
145.04884	4.8
146.06027	5.6
147.04391	13.4
151.03876	3.8
153.01833	3.5
154.02554	3.7
154.80948	2.6
159.02834	12.9
160.00612	12.6
162.02173	4.3
162.05492	4.4
168.04160	17.9
169.04921	95.1
170.05701	3.4
170.09967	12.1
170.11656	3.0
177.00720	5.1
177.03238	41.3
177.05470	3.5
183.06499	26.6
190.08612	5.6
198.09465	12.9
201.07536	54.9
217.08846	3.9
231.04605	5.3
234.11528	4.2
256.09909	4.6
256.68143	2.7
258.38989	2.8
273.12534	10.6
293.07956	4.2
301.12143	34.8
332.01532	2.7
337.14169	21.1
338.73221	3.6
338.88995	2.9
373.79721	2.9
465.15399	3.8
466.18011	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	467.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91413	1.0
53.00229	1.0
54.81615	1.0
56.96475	1.2
61.12501	1.2
64.80795	1.1
69.03352	2.0
70.06507	5.7
84.04454	1.7
85.02818	2.1
86.32539	1.2
91.05382	1.1
97.02816	1.5
102.05470	1.6
105.06939	1.2
109.02775	1.3
116.07110	1.7
118.42982	1.2
119.04883	1.3
127.03858	1.5
127.07233	1.3
144.08061	44.2
145.02805	3.0
146.06044	1.9
147.04507	4.6
161.10680	2.0
162.05438	1.4
167.09154	1.2
171.05173	1.5
174.05380	1.1
177.05406	1.8
191.38907	1.3
207.90387	1.3
250.60857	1.3
257.65659	1.4
279.14191	2.5
287.12512	2.0
297.15451	2.8
305.12668	1.3
323.13376	5.7
347.13351	1.7
365.14328	1.5
377.88870	1.6
406.92123	1.3
449.17203	2.0
467.18793	100.0
468.18900	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	467.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50344	3.0
54.90494	3.0
55.05455	41.6
57.03374	17.0
57.07014	45.1
63.76153	3.0
67.05429	60.8
68.32120	3.4
69.06989	46.6
71.08546	39.3
77.72002	3.0
79.05398	16.1
81.06983	69.4
83.08537	26.2
83.97895	3.8
85.06465	4.2
85.10125	5.5
91.05415	8.1
93.06973	6.4
95.08540	52.2
97.10076	6.8
98.18652	3.7
105.06982	7.3
107.08517	4.8
109.10116	27.0
110.20887	3.8
111.08019	4.5
112.99969	100.0
114.94065	3.4
119.08499	3.9
121.10092	4.8
121.24104	3.3
123.11681	8.4
147.11673	4.4
148.81808	4.1
149.02322	20.9
169.02628	6.7
184.07339	4.4
193.04982	8.1
194.05357	5.5
237.07584	4.8
299.25745	5.3
337.27338	17.2
355.28320	61.1
467.32135	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	467.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.3
53.03884	0.3
55.01813	0.3
55.05454	3.2
57.03359	0.4
57.07006	1.1
62.61314	0.3
65.03847	0.3
67.05428	11.3
69.03334	0.3
69.06989	3.5
70.06506	0.3
71.08549	1.3
79.05412	4.7
81.03351	2.4
81.06978	8.1
83.04921	0.3
83.08540	1.2
86.43547	0.3
89.05970	0.3
91.05411	2.7
92.10899	0.5
93.06981	3.9
95.04897	1.7
95.08533	7.0
97.06455	0.4
97.10087	0.6
99.08008	0.3
105.06969	1.5
107.08533	1.9
109.06428	0.3
109.10104	3.2
112.99945	0.5
115.05392	1.6
117.05686	1.5
117.06958	1.9
118.06493	22.0
119.08553	0.5
121.10101	1.3
123.11658	0.4
130.06496	13.9
132.08060	21.9
133.08383	0.4
133.10062	0.5
135.11659	0.5
137.09630	1.1
137.13304	0.3
142.06508	5.5
143.07292	2.0
144.04449	1.0
144.08067	17.0
145.06326	0.3
145.08345	0.4
146.05986	85.9
147.06337	2.1
147.11690	0.4
151.11179	1.1
156.08134	0.3
159.09145	51.2
160.07573	4.1
160.09453	0.6
169.07552	1.2
170.05980	10.6
187.08643	1.6
188.07030	100.0
189.07401	2.6
205.09688	26.1
206.10051	0.6
263.23553	0.3
277.21606	4.5
295.22620	5.9
339.28973	0.5
360.04279	0.3
404.29941	0.3
421.32059	4.9
435.00803	0.3
439.05807	0.3
449.31558	1.0
467.32245	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	468.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96490	6.0
57.03356	1.1
69.03336	1.4
70.06507	3.5
72.08080	0.9
73.02818	4.5
81.03332	1.6
84.04422	0.8
84.08048	3.1
85.02831	2.8
87.81006	0.7
89.40947	0.8
91.05405	0.9
97.02818	0.9
109.02824	1.0
116.07024	1.3
116.98561	1.4
118.06470	0.7
127.78153	0.8
129.10220	0.9
130.06499	25.2
131.42719	0.8
132.04419	3.7
132.85019	0.7
146.05969	8.1
147.04404	1.6
158.05968	0.8
158.63454	0.7
162.05441	4.9
174.05469	7.4
176.07059	1.2
192.03175	0.7
200.13651	0.7
206.01317	0.9
208.02722	1.0
210.04346	20.0
218.01285	0.7
219.12096	0.8
220.02733	13.1
224.02223	1.6
228.05482	8.2
236.02303	6.4
238.03821	33.8
246.00650	2.9
254.03275	13.4
256.04892	33.6
257.29938	0.8
264.01718	20.0
282.02805	100.0
283.03085	1.7
287.03427	1.0
296.34143	0.7
300.03845	9.1
305.04089	2.1
336.10638	5.0
408.05911	18.4
426.06995	29.2
427.06866	1.1
444.08072	3.7
449.08737	1.7
467.18918	8.6
468.19147	5.6
476.52524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	1.2
56.96497	6.0
64.33151	0.8
66.45008	0.7
69.03332	1.0
70.06505	3.0
72.08099	0.9
73.02823	4.7
74.05978	3.1
75.81728	0.6
81.03359	1.0
84.04423	1.3
84.08064	1.2
85.02818	1.8
97.02782	1.0
102.05475	1.4
109.02816	0.8
110.07156	1.0
116.07034	5.5
118.06467	1.1
119.04938	1.1
130.06496	26.4
132.04463	1.2
146.06004	7.7
147.04367	1.5
147.62703	0.7
158.06038	0.9
162.05437	3.5
174.05499	6.7
176.06979	1.5
177.47238	0.7
186.68028	0.8
192.03271	1.2
202.01753	1.0
208.02785	1.0
210.04352	15.3
220.02768	13.9
224.02251	3.4
228.05447	8.3
236.02312	9.1
238.03804	31.7
246.00676	1.4
249.15715	0.7
254.03268	17.1
256.04880	36.9
264.01740	23.3
282.02805	100.0
283.03134	2.9
287.03214	0.9
300.03909	9.0
305.04437	2.5
306.02786	3.9
306.51956	0.7
324.03857	1.3
336.10629	4.0
408.05869	21.7
426.06976	26.3
444.08032	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	468.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61306	0.2
56.10606	0.2
56.96476	0.2
58.06530	0.5
63.02314	0.2
63.86198	0.2
64.05701	0.2
70.06501	2.5
72.08072	50.1
73.08396	0.4
77.03830	0.3
78.88356	0.2
79.05424	2.1
84.08069	3.3
84.42585	0.2
87.84787	0.2
88.58990	0.2
89.03843	10.0
91.05401	0.3
95.04900	1.0
97.08864	0.3
98.05989	0.3
98.09631	0.4
105.03323	0.6
106.06561	0.2
107.04901	4.3
110.09645	1.4
112.11193	2.1
113.07080	3.8
117.03333	13.1
119.04899	0.3
121.02850	0.3
123.04395	1.3
125.61237	0.2
127.08649	1.4
129.13876	0.3
133.02824	8.8
134.03195	1.0
134.05984	5.0
135.04384	31.4
136.04747	0.9
137.05934	0.9
145.02831	22.4
146.03166	0.5
146.06015	0.5
147.04448	0.3
155.11766	6.0
161.02380	0.3
162.05481	4.8
162.09128	0.4
163.03874	100.0
164.04213	1.6
164.58971	0.2
172.14528	0.2
178.04959	0.5
181.04837	0.2
183.06509	0.2
184.36394	0.3
190.08600	22.9
191.08929	1.0
191.75922	0.2
192.10150	0.3
204.10159	0.8
206.11809	1.7
207.11287	0.4
218.08060	2.8
219.11172	0.3
219.99442	0.2
220.09665	7.7
232.09538	0.5
234.11275	1.3
235.10759	0.9
237.12077	0.4
247.10620	0.2
261.15936	9.7
278.18573	1.9
286.49667	0.3
289.15448	4.8
291.16907	0.4
306.18069	22.6
307.18634	0.3
318.18097	0.4
325.69659	0.2
397.13855	1.8
423.18756	0.5
440.21646	4.4
451.18460	1.3
468.21213	18.4
469.21408	1.1
483.00726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96237	0.2
58.06528	0.7
61.84171	0.3
63.02301	0.3
65.03845	0.3
69.81345	0.3
70.06490	0.4
72.08069	36.9
73.90138	0.2
75.09145	0.7
78.57368	0.2
84.08048	1.6
84.81945	0.3
89.03832	8.5
91.05404	5.6
100.07541	0.4
102.11681	0.2
102.93609	0.3
103.05363	0.4
104.95712	0.3
106.04138	0.5
112.11195	4.7
117.03326	32.1
119.04891	17.6
119.05753	0.6
121.02777	0.4
129.13828	2.9
134.03630	2.1
135.04410	2.5
137.05899	0.3
145.02823	95.3
146.03204	1.3
146.16463	0.7
147.04385	99.6
148.04724	1.9
149.05960	11.4
155.11778	2.2
158.24442	0.3
163.03842	0.7
172.14388	0.3
177.05431	100.0
178.05782	1.4
186.05478	0.4
203.11731	6.8
204.10162	59.2
205.10461	0.6
206.11734	1.1
212.36685	0.3
218.11911	0.5
221.12735	3.0
233.12820	1.4
234.11195	18.9
235.11748	0.4
248.12753	3.2
251.13905	0.6
274.19040	3.7
275.17462	6.5
292.20142	21.4
293.20462	0.5
304.20108	1.6
305.18491	2.7
322.21176	11.1
348.19473	0.4
397.17459	0.4
451.22192	2.1
468.24844	53.1
469.25211	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	468.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	7.9
56.04956	1.3
56.96494	1.5
57.03359	1.1
64.33617	1.0
67.05418	9.2
69.03342	1.0
69.06982	6.7
71.08553	4.2
72.08070	2.1
79.05408	2.5
81.06969	5.8
83.04912	1.1
83.06018	15.5
83.08521	3.9
84.95967	1.2
85.02824	1.6
89.03852	5.9
89.10707	1.3
91.05392	6.3
92.64265	1.3
93.04464	8.2
93.06969	2.6
95.06017	10.7
95.08529	2.1
97.06493	1.0
100.11204	1.1
109.10084	7.5
110.07109	100.0
111.05451	2.1
111.48177	1.0
112.08689	2.5
114.86213	1.0
116.98552	1.2
117.03312	19.8
119.04924	5.4
128.07074	1.9
134.03622	1.2
135.04317	2.2
145.02812	51.0
146.05948	1.5
147.04355	9.0
149.05962	8.2
156.07683	17.7
162.03104	1.3
163.96739	1.1
170.15323	8.1
175.03900	6.2
177.05421	58.0
182.15419	4.6
205.04913	13.2
207.06512	4.6
210.14838	2.6
218.73225	1.1
238.03822	2.0
248.02180	1.3
265.15634	1.4
266.03244	2.6
276.12018	1.3
280.05026	1.2
290.03287	1.2
293.14981	7.0
422.30014	9.2
468.24026	2.1
468.30594	60.3
469.33615	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	468.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01878	1.5
55.05441	3.3
57.03355	2.0
57.07002	7.9
60.08097	25.4
61.82877	1.5
67.05418	10.6
69.06989	4.0
71.07280	10.7
71.08574	2.8
74.77202	1.9
79.05400	3.3
80.54065	1.5
81.06963	10.5
83.19139	1.8
86.09627	78.6
88.22447	1.9
89.05930	2.1
91.05405	2.0
92.67383	1.6
93.06956	4.0
95.08523	8.0
98.98393	7.6
104.10672	94.6
107.54656	1.6
112.99992	3.7
124.99945	38.5
134.98126	3.8
184.07303	100.0
285.24100	3.7
339.28351	2.5
425.60822	2.1
450.29578	4.4
468.30676	29.0
469.18094	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	468.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30190	0.2
55.05456	0.3
56.04959	0.2
57.03369	0.9
57.07008	1.5
58.06535	0.4
60.08097	9.0
67.05421	0.5
69.06992	0.3
71.03175	0.2
71.07290	4.1
71.08546	1.2
76.07177	0.2
80.23185	0.2
81.06971	0.4
82.91681	0.2
85.10102	0.4
86.09628	50.1
87.09964	0.4
95.08533	0.4
97.10091	0.2
98.98392	4.1
104.10691	4.3
110.47622	0.2
123.09563	0.2
124.99964	36.7
143.01025	0.8
184.07307	100.0
185.07639	0.8
199.22917	0.2
264.55283	0.2
285.24118	0.8
316.94269	0.2
318.87201	0.2
328.16895	0.2
348.87454	0.2
441.65262	0.2
450.29617	1.0
468.30862	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	469.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49379	2.1
51.05953	2.0
54.81880	2.6
56.27104	2.3
56.58047	2.3
56.96496	2.8
61.98804	2.6
63.59147	2.5
69.03343	2.7
70.06525	5.1
74.05178	2.8
76.56573	2.7
84.04440	3.5
115.79040	2.7
130.06487	5.3
147.04431	20.0
154.96866	2.5
177.05382	2.5
207.09071	3.1
210.04463	3.8
235.14386	3.8
254.03363	3.2
256.04767	5.5
282.02768	17.3
283.03165	5.3
317.08380	4.4
329.29672	3.3
359.75870	2.6
409.05783	4.1
469.13120	100.0
471.89935	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	469.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	2.6
55.86823	1.6
57.07003	2.7
67.05422	3.4
69.06995	3.9
71.08540	2.7
72.08052	2.6
72.78798	1.5
79.05396	2.1
81.06963	6.6
83.08527	2.8
85.82761	1.5
86.09661	4.1
87.09962	1.7
89.05950	15.4
95.08514	3.3
117.06947	2.0
118.06493	17.4
118.33133	1.8
124.03354	1.6
130.06560	12.0
132.08070	21.5
133.08548	2.5
142.06454	2.8
142.31076	1.7
143.07298	2.9
144.08051	19.0
146.05983	95.7
147.06259	1.8
159.09155	56.4
160.07553	2.1
170.06009	10.2
188.07034	100.0
205.09712	24.9
283.17606	3.0
423.33438	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	470.1655
Annotation	Indol-3-ylacetyl-myo-inositol L-arabinoside
Peak:m/z	Relative Intensity
52.64551	0.3
53.03874	0.6
54.51577	0.2
55.01810	0.4
57.03361	1.4
61.02830	0.5
69.03335	2.0
71.04916	0.4
72.08042	0.5
73.02828	4.6
74.18239	0.3
81.03329	6.3
85.02818	1.9
97.02819	2.2
103.05431	0.6
109.02836	2.6
120.33169	0.4
130.06488	100.0
131.06819	2.1
133.05115	0.4
134.08057	0.5
135.04396	0.4
142.06470	0.6
143.07309	2.1
144.08057	46.1
145.02826	0.4
145.08397	0.7
146.06020	2.8
154.06483	1.4
156.08089	0.7
157.05202	0.7
158.05931	1.6
160.07516	0.5
163.03848	2.3
167.07298	0.5
168.08003	2.2
170.05992	2.3
170.09653	0.7
171.06511	0.3
172.07526	43.3
173.07852	0.5
174.05452	0.3
176.07040	9.1
180.08038	1.3
182.06020	0.3
182.09619	0.3
183.06831	0.5
184.07565	0.6
184.25810	0.3
187.21561	0.3
188.07091	1.6
196.07518	1.5
198.09094	1.3
200.07104	0.5
208.07581	1.8
218.08081	2.9
220.09648	1.2
226.08612	3.5
228.10106	0.4
244.09613	3.2
254.08009	0.4
262.10568	1.2
272.09137	1.6
281.96637	0.3
320.11081	0.5
338.12283	3.0
350.12115	0.4
380.13348	6.5
404.28607	0.3
434.14069	2.6
452.15222	0.4
472.55499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.9
55.01803	1.0
55.05452	6.6
56.04979	0.7
56.96479	0.9
57.03365	1.0
61.02857	1.5
61.99590	0.7
67.05422	1.3
69.03345	5.2
70.06505	18.2
72.07708	1.1
72.08070	14.9
73.02826	4.5
79.05400	1.0
81.03320	7.8
81.06969	1.3
83.04903	1.4
84.04432	1.2
84.08076	5.1
85.02825	5.0
85.06444	1.2
88.56516	0.7
91.05399	0.9
93.06982	0.7
94.05705	0.7
95.08514	0.9
96.57603	0.7
97.02822	4.1
98.05981	13.7
98.47415	0.7
98.97498	1.0
99.04345	0.8
105.07066	0.8
109.02820	5.3
110.07067	1.5
114.38071	0.8
115.08649	8.5
118.08585	0.7
123.04334	0.8
127.08652	1.4
129.10188	3.2
130.06490	100.0
131.06815	1.0
131.96088	0.8
134.99596	0.8
137.05952	1.5
144.08055	41.4
145.02798	1.0
145.08420	0.7
146.03618	1.0
146.06001	5.1
147.04378	3.4
150.06688	1.1
150.07793	0.8
156.08017	1.2
157.05186	1.2
158.05963	3.5
160.07465	0.8
162.05431	5.6
163.03839	1.0
168.08047	1.0
170.05917	1.7
172.07529	40.2
176.07059	5.0
177.00761	0.9
177.05443	3.3
180.07956	1.0
182.17279	0.8
184.07434	1.1
186.05455	8.1
189.58670	0.8
195.04677	0.8
196.07599	1.2
208.07526	1.0
218.08055	1.0
226.08559	3.4
237.02821	1.0
244.09631	0.9
258.03857	1.4
280.09415	0.9
290.10104	0.9
292.05759	0.9
310.10425	1.1
318.07520	1.1
320.11047	1.3
323.03931	0.8
329.11359	1.1
336.08551	8.7
338.12259	1.6
380.13144	6.1
470.18924	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	470.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	12.1
56.01336	1.3
59.12301	1.1
63.66511	1.1
64.14033	1.1
65.57030	1.1
68.04939	1.6
70.06514	11.8
72.08069	68.9
87.28475	1.1
89.10715	7.1
98.05988	36.5
99.09163	1.4
115.08630	23.8
115.09358	1.6
127.08659	1.9
130.06436	1.5
132.77870	1.3
137.05946	5.1
145.02805	10.7
146.03615	1.7
146.06015	5.9
147.04388	2.4
150.06734	2.6
151.03848	5.6
158.05962	5.6
160.03929	1.9
161.05840	1.8
162.05524	2.8
167.52251	1.3
175.03778	1.3
176.03351	2.2
176.04716	2.3
177.05449	16.2
186.05447	26.5
207.24380	1.4
220.07611	2.0
232.05890	1.5
233.05913	2.0
247.06166	1.6
248.07016	12.6
249.07671	2.1
252.10103	1.9
258.03836	2.1
264.06451	1.7
264.14587	4.3
265.07248	10.3
265.15314	2.9
275.05634	5.3
276.06467	20.2
277.07281	7.9
280.09662	7.0
288.06308	1.6
290.08063	4.5
292.05975	5.0
293.06754	19.4
294.07498	30.1
303.05121	18.5
304.05945	19.3
305.06833	6.7
308.09103	36.5
308.12396	2.3
310.10699	2.6
318.07526	14.5
320.09109	5.3
321.02686	2.3
321.06250	26.6
322.06885	5.0
329.11234	1.8
336.08591	100.0
337.08908	7.7
354.09494	2.0
364.08075	15.3
382.09067	6.1
452.17987	5.8
453.16397	6.7
460.82883	1.3
470.13797	2.7
470.19119	60.7
471.19571	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31886	0.2
53.03888	0.2
55.01815	0.2
55.05431	0.2
56.31634	0.2
57.03373	0.2
61.02859	0.3
61.03143	0.1
63.13645	0.1
63.75718	0.2
69.03344	1.7
69.06974	0.7
70.06502	0.8
71.04919	0.2
73.02814	0.2
73.06466	0.5
77.18978	0.2
78.22102	0.2
81.03334	2.0
84.04434	0.2
85.02827	4.5
85.06439	0.3
86.09624	100.0
87.00749	1.6
87.09956	0.9
93.58419	0.2
97.02817	1.0
99.04407	0.7
101.05973	0.3
105.01807	2.1
109.02833	1.1
114.38380	0.2
116.07014	0.4
116.98575	0.2
127.03877	2.7
130.08636	0.4
132.10167	35.8
133.06087	0.3
133.10532	0.3
140.63017	0.2
145.04950	0.3
153.75574	0.2
157.26463	0.2
159.02838	0.3
177.92068	0.2
181.08498	0.2
199.09680	0.2
231.04956	1.0
241.15471	0.3
285.09674	0.2
303.10617	1.6
321.57349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40222	0.9
55.01812	1.2
55.05450	1.7
56.96482	1.1
58.06529	1.9
59.10815	1.3
64.35766	0.9
69.03344	2.7
70.06507	8.3
71.04914	1.3
72.08068	16.3
73.02825	1.6
79.05371	1.2
81.03328	4.3
84.04427	2.4
84.08070	7.2
85.02829	6.7
85.61136	1.0
89.54770	1.0
91.05393	5.9
97.02819	2.6
107.04887	1.9
110.07091	3.9
112.11195	2.4
113.07123	1.2
116.98572	1.3
119.04907	16.4
127.03895	1.7
129.10185	1.4
130.06488	45.6
131.04892	1.0
131.06905	1.7
136.07556	1.3
144.08072	13.1
145.02765	2.3
146.05971	2.0
147.04382	100.0
148.04819	1.5
155.11760	2.8
162.05482	7.1
163.03847	7.8
166.14497	1.1
169.07545	1.5
172.07512	14.1
177.05466	1.4
181.87518	1.1
203.11815	2.4
204.06679	1.0
204.10144	43.7
206.11832	1.4
226.08629	1.3
235.07164	1.5
235.10901	1.1
246.03412	1.2
249.11882	1.5
261.02954	1.5
282.02695	1.6
283.08792	1.1
306.18015	2.3
380.13107	1.5
424.22229	1.3
452.21677	6.3
470.22784	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06545	1.3
67.51433	0.2
70.06483	0.9
70.30669	0.1
72.08072	31.6
73.08401	0.4
75.08821	0.1
75.09157	2.4
79.05387	0.7
84.08056	1.3
89.03834	4.3
90.04186	0.2
95.04892	0.7
97.02784	0.2
101.79434	0.2
107.04909	1.8
112.11208	3.7
117.02553	0.3
117.03332	6.7
118.03665	0.2
119.04919	0.2
123.04381	0.3
129.13849	2.7
130.06470	0.3
134.06003	0.2
135.04384	15.9
136.04688	0.8
137.40321	0.2
145.02832	13.3
146.03152	0.4
146.06013	0.2
146.16483	1.1
155.11772	1.1
162.05479	0.9
163.03874	100.0
164.04207	3.9
165.04390	0.9
173.93100	0.2
177.05446	0.2
177.92006	0.2
178.04765	0.2
190.08653	0.6
191.08856	0.3
192.10165	0.3
219.11235	2.4
220.09657	49.1
221.09995	1.0
234.11128	1.7
237.12219	2.5
262.71848	0.2
290.18445	1.5
291.16971	6.8
292.17426	0.2
306.17972	0.2
307.18411	0.7
308.19635	23.8
309.19995	0.6
453.20294	1.1
456.85782	0.2
469.21710	0.2
470.22772	21.7
471.22922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.7
55.05441	0.7
56.96494	0.7
57.03378	0.6
58.06527	0.4
65.03870	0.5
67.05434	0.5
69.03340	0.8
70.06509	3.6
72.08069	25.1
73.02841	0.4
74.00594	0.4
76.02135	1.6
79.05394	0.9
80.88818	0.3
81.03341	1.4
81.06985	0.5
84.04420	1.5
84.08070	4.7
85.02811	2.5
86.00570	0.4
86.09623	0.4
88.03884	0.4
91.05405	12.2
91.47408	0.3
92.64288	0.5
95.04890	0.5
95.08540	0.5
96.07989	0.4
97.02824	2.7
99.04366	0.5
103.05395	2.8
105.07005	0.6
106.05289	0.4
107.04906	2.7
109.02808	1.6
110.09612	1.6
112.11198	2.6
113.07063	3.2
116.98586	0.4
119.04892	33.4
119.50156	0.3
120.79560	0.3
121.10039	0.5
127.03851	1.3
127.11148	0.4
128.04929	0.5
129.13835	0.4
131.04881	4.2
132.04420	0.5
133.02831	2.2
134.05975	0.7
135.04390	2.4
137.05949	0.4
143.08437	0.4
145.02808	2.2
145.04953	0.4
146.05986	21.4
147.04387	100.0
148.04738	1.8
151.03909	1.9
155.11754	6.1
157.10056	0.6
161.02292	0.9
162.05444	4.5
163.03865	3.2
164.07054	0.6
174.05501	1.5
175.03976	0.7
176.10759	0.4
177.05457	0.6
178.04987	0.4
179.03465	1.4
190.04955	0.6
190.08591	4.1
192.06558	1.4
192.10161	0.8
197.13243	0.5
203.11794	0.6
204.10152	13.0
206.11732	1.9
207.06453	0.7
207.08170	0.4
208.09634	1.4
218.08102	5.6
218.11652	0.6
220.09705	0.8
232.09607	0.8
235.10684	0.7
236.09012	0.4
243.08334	1.8
243.13730	0.5
261.15912	2.2
273.15848	0.7
275.17499	0.7
282.02811	0.7
289.08969	0.4
289.15366	3.3
302.18433	0.4
306.18085	11.3
308.08911	0.6
317.11987	14.6
318.12424	0.7
324.19196	2.1
363.12646	5.6
381.14273	2.7
388.15515	0.4
424.22324	2.1
434.16141	1.8
435.19022	0.8
452.22031	14.5
453.21912	0.5
470.23248	5.8
471.22989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.7
55.05231	0.8
55.05454	17.1
57.03363	0.8
65.03837	0.9
67.05412	1.0
69.03358	4.7
69.06984	1.6
70.06184	0.7
70.06503	10.1
71.04901	0.8
72.08060	6.1
73.02818	0.8
81.03334	5.0
81.06947	1.6
81.26764	0.6
81.39915	0.7
82.06501	1.6
83.04899	1.6
83.08533	13.4
84.08072	6.7
85.02821	5.0
85.06499	0.6
86.09615	2.8
88.03894	1.2
89.03848	0.9
91.05412	4.0
93.06991	0.7
95.04887	1.3
95.08508	0.8
97.02821	4.8
98.05982	2.7
98.09601	3.5
98.97499	0.8
100.07529	9.0
100.11179	100.0
107.04865	1.1
109.02827	1.1
110.06014	0.9
111.04385	10.5
112.07578	1.5
112.11212	5.1
115.08704	0.9
116.87559	0.7
117.03323	4.4
117.13869	1.2
119.04898	7.3
121.02813	30.1
121.03712	1.0
122.03143	1.5
126.09084	1.2
128.07028	8.5
129.05429	1.4
129.13869	2.8
130.06491	32.0
131.06859	1.3
132.95773	0.7
137.05949	0.7
139.03915	3.4
139.08644	1.2
140.07033	3.0
144.08034	4.4
145.02809	9.7
145.04878	0.9
146.06010	1.3
147.04387	27.5
147.05498	1.4
151.03995	0.8
155.11772	2.7
162.05469	1.6
163.03851	0.8
172.07535	4.5
176.07126	0.9
177.05406	12.0
181.01598	0.6
182.15373	24.3
186.05434	0.9
204.10181	4.3
209.16418	16.6
210.14838	22.8
210.16704	1.3
223.03680	0.7
226.19054	4.1
227.17467	6.0
228.16046	1.0
244.09537	0.7
244.20132	3.1
265.06912	0.8
275.17441	0.9
325.29337	0.7
326.27930	4.1
329.65845	0.7
336.08426	0.9
336.22733	1.2
337.21265	0.9
343.30661	5.3
410.02484	1.0
433.22336	0.8
453.34161	4.0
470.36890	72.7
471.37048	4.4
495.29581	6.9
496.29697	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	471.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	2.7
56.96500	3.4
59.17410	1.7
60.05576	2.6
65.03870	1.6
70.06522	2.5
72.08066	9.0
79.05376	2.7
81.50449	1.9
83.08514	1.6
88.07565	2.3
89.03846	9.6
89.10734	2.3
91.05398	47.1
92.10844	7.0
100.11182	4.4
103.05419	2.2
110.07061	1.8
112.28719	1.9
116.98600	2.4
117.03326	26.9
119.04890	73.7
120.97445	1.7
121.06512	1.7
130.06430	1.9
132.02036	3.3
135.04411	2.8
143.04938	2.2
145.02826	84.1
147.04375	66.9
147.05487	2.6
149.05934	11.1
157.03908	3.0
164.04726	1.7
175.03850	100.0
176.04480	2.2
177.05438	97.8
179.06981	2.3
186.03163	4.3
207.06479	91.7
210.14899	2.3
218.21133	8.8
235.72276	1.8
237.00710	2.6
248.12767	2.7
254.00740	3.2
255.01765	2.7
265.15424	28.2
271.03732	1.9
295.16428	17.4
311.28745	2.2
326.35199	2.0
370.09631	4.0
383.11087	7.1
388.10504	9.5
412.10452	3.5
430.11606	4.1
454.32883	3.2
471.21198	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11565	1.8
55.05454	2.6
57.07021	4.6
61.45041	2.1
70.06496	12.7
71.08558	4.8
72.08074	5.4
76.02093	2.2
80.90383	2.3
84.04442	3.0
86.09649	2.2
88.07558	14.2
89.03847	4.3
91.05405	46.6
98.09607	2.4
100.11198	2.1
102.09080	3.9
105.03316	2.4
106.08590	4.1
117.03325	45.8
119.04900	61.2
127.03905	2.7
140.61127	2.4
145.02817	100.0
147.04401	62.6
149.05991	15.3
155.78185	2.6
157.03963	3.6
175.03870	82.7
177.03897	4.0
177.05440	98.2
184.57185	2.3
200.20078	4.2
207.06496	91.0
218.21111	76.4
243.11856	2.5
265.15372	24.7
295.16415	21.3
308.06741	4.6
312.25485	3.3
348.79471	2.4
351.08545	9.8
435.81113	2.7
471.12509	4.1
471.21307	4.5
481.10352	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	471.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.8
55.05451	42.8
57.03384	18.6
67.05429	70.4
69.06983	40.5
70.83447	2.0
79.05034	1.8
79.05412	23.7
81.06971	81.3
82.80712	2.1
83.04842	3.1
83.08535	20.9
88.36491	2.2
89.55788	2.0
91.05396	10.0
93.06972	21.9
95.08529	49.5
97.06483	3.0
97.10094	3.5
100.51926	2.0
105.06991	8.4
105.66437	2.1
107.08546	9.4
109.10093	14.5
119.08522	4.1
121.10091	8.3
123.11658	3.6
133.10072	3.4
134.98149	100.0
135.11667	2.2
152.99251	2.8
162.57463	1.9
189.00053	3.9
195.58685	2.7
209.01843	2.8
227.01633	4.3
241.05484	2.2
337.27188	34.8
359.25473	13.1
471.24667	100.0
472.24612	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	471.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	27.1
57.03360	8.2
57.07007	3.3
60.75793	2.7
62.25222	2.9
67.05428	48.7
69.06989	36.3
71.52697	3.0
74.46358	2.8
77.55050	3.0
79.05408	16.0
81.06973	57.0
83.08530	13.5
89.05958	3.9
91.05398	5.1
93.06955	6.1
95.08529	35.6
97.10088	4.0
105.06987	5.8
107.08545	6.9
109.10088	14.8
114.97086	3.7
119.08533	4.5
123.11661	4.3
134.98166	65.1
147.11633	3.1
285.39127	3.6
337.27225	24.2
359.25333	5.7
471.24747	100.0
471.35706	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	471.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97942	2.9
55.05450	24.9
57.03362	14.5
57.07005	4.7
67.05421	39.7
69.06989	28.1
79.05396	7.0
81.06966	40.4
83.08543	3.8
91.05370	5.7
91.58533	3.1
93.06973	15.4
95.08537	31.4
105.06944	6.5
109.10090	14.2
119.08494	5.1
133.10065	4.9
134.98135	59.7
337.27231	19.4
359.25565	6.4
471.24835	100.0
471.35791	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	471.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00234	0.4
55.01801	0.8
55.05445	3.3
56.96515	0.6
57.03363	1.0
57.07013	5.8
65.12039	0.5
67.05431	8.6
69.06998	1.3
71.04890	2.1
71.08549	12.4
76.02144	1.0
79.05407	4.9
81.03337	18.0
81.06986	6.5
83.04903	1.0
83.08537	0.7
85.06461	3.5
86.09643	1.0
91.05407	6.4
93.06976	6.5
95.04896	23.0
95.08544	8.5
97.06441	0.7
99.08020	10.6
105.06976	3.7
107.04891	1.1
107.08551	3.0
109.06436	1.1
109.10113	4.7
117.03364	1.0
117.06962	2.5
119.08528	2.7
121.10117	2.6
123.08027	0.9
127.24923	0.5
131.08514	1.2
133.10097	3.1
135.08061	0.6
135.11652	0.9
137.09560	1.2
139.11147	1.3
141.09061	2.2
143.08594	0.9
145.02861	3.5
145.10118	1.2
149.09636	0.7
149.13289	0.8
151.11159	100.0
152.11513	2.2
159.11678	2.4
161.09560	2.4
162.02133	0.7
163.11160	0.7
165.12711	1.3
177.05452	2.8
177.12695	7.5
191.14236	1.0
247.20462	0.8
253.21852	0.5
257.19000	0.8
259.83792	0.6
267.40958	0.5
275.20084	4.2
293.21060	66.4
294.21442	2.4
471.25049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16728	0.9
55.05447	8.7
57.03379	4.2
66.54709	1.2
67.05420	16.6
69.06990	9.3
70.06493	1.1
71.08535	1.2
79.05416	4.5
81.06976	16.2
83.08543	4.6
91.05418	2.3
92.10893	2.2
93.06979	8.2
95.08543	16.1
97.06473	1.5
105.07001	1.4
107.08520	1.9
109.10114	4.9
119.08525	1.1
121.10094	1.1
134.98160	22.4
195.77939	1.2
197.06760	1.1
260.35889	1.2
260.96704	1.1
337.27292	9.7
340.63834	1.1
359.25595	2.1
388.90976	1.3
393.58157	1.4
471.24600	37.9
471.34314	100.0
472.24930	4.7
472.34808	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	471.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05186	0.7
55.05449	17.1
57.07007	0.7
67.05427	0.4
69.07008	0.6
70.06512	1.4
72.08070	6.9
73.08398	0.8
81.80936	0.4
82.06504	2.0
83.04878	0.6
83.08042	0.5
83.08535	13.1
84.08059	0.9
85.06475	0.6
89.03806	0.6
90.04189	0.4
96.38813	0.4
97.02843	0.5
98.09620	1.7
100.07545	5.5
100.11183	100.0
101.05886	0.6
101.11543	0.8
110.05984	0.5
111.04390	7.4
112.07544	2.0
113.12410	0.4
117.03342	1.7
117.13856	1.6
126.09113	1.7
127.08600	0.8
128.07027	6.5
135.04411	1.7
136.04752	0.9
139.08629	0.9
140.07040	2.5
145.02826	2.2
146.03185	0.8
146.06030	1.7
147.04372	0.5
149.62602	0.4
162.89488	0.4
163.03864	16.7
164.04184	9.0
177.05447	0.7
182.15366	28.9
183.15697	0.6
192.13692	0.4
201.45692	0.5
209.16443	14.6
209.18269	0.7
210.14853	26.3
211.15289	0.8
220.09657	6.5
221.09966	5.1
226.19141	1.8
227.17520	2.5
228.15901	3.4
245.18634	2.7
292.17310	0.7
308.19699	1.6
309.19846	3.3
326.28033	2.0
336.22754	0.5
337.21146	0.6
343.30704	1.7
354.57999	0.4
368.29654	0.5
453.34268	4.6
454.35181	0.5
471.23407	4.8
471.35303	71.1
472.35672	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	472.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57954	0.7
50.96587	0.7
56.42338	0.8
56.96507	2.1
58.99517	12.7
67.15559	0.9
69.93851	0.9
76.02139	97.1
76.03927	3.9
83.39548	1.0
84.04426	25.7
86.98987	4.8
88.02103	1.1
92.10846	1.5
95.04887	19.4
98.97497	4.8
116.01620	25.3
116.98551	3.9
121.06494	1.7
123.04382	100.0
124.04727	1.4
128.98570	4.0
130.04935	9.7
131.95572	1.1
134.99640	1.7
142.03212	9.7
144.01141	10.1
146.99619	3.8
147.04398	1.2
162.00829	1.4
162.02170	34.5
165.05438	10.6
170.02692	1.4
179.04808	40.6
187.05301	3.4
215.04849	1.4
219.01740	2.1
224.02287	5.4
233.05887	9.0
237.02769	9.5
242.03244	13.6
245.05859	1.3
260.04285	3.9
291.06500	1.4
308.09045	32.4
368.06110	1.1
412.05283	1.6
430.06226	1.5
468.21112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	0.8
55.05437	0.3
57.03363	0.2
58.06529	0.1
60.08100	1.9
61.02855	0.1
64.79182	0.1
66.65286	0.1
69.03347	2.0
69.06427	0.1
70.06499	0.3
71.04902	0.7
72.08058	0.5
73.02823	0.5
81.03333	3.7
83.04900	1.4
85.02824	1.5
91.05410	1.2
97.02832	2.2
99.04392	1.2
101.05951	0.8
104.07336	0.1
104.10683	5.0
105.18044	0.1
109.02834	4.5
111.34877	0.1
114.17453	0.1
117.03297	0.2
118.06483	0.6
119.04887	2.0
122.43453	0.1
124.03944	0.2
127.03881	3.3
128.04918	1.8
129.05371	0.2
130.06482	1.5
131.06839	0.7
132.04413	2.0
137.12198	0.1
140.27327	0.1
144.08034	0.5
145.02853	0.2
145.04848	0.4
145.08435	0.2
146.05988	100.0
147.04417	2.2
147.06305	2.5
148.04756	0.1
148.61711	0.1
161.02917	0.1
162.05441	0.9
163.03947	0.3
167.38322	0.1
172.07521	0.2
174.05467	12.0
175.03882	3.6
175.05516	0.2
177.05397	0.2
178.04967	0.6
185.12186	0.1
191.03372	0.1
192.06531	9.4
204.06770	0.1
204.10158	0.1
206.04472	0.7
207.06488	3.2
218.08212	0.2
246.07596	0.3
254.08092	0.1
300.08551	1.2
318.09692	2.8
319.10413	0.1
336.10779	1.5
344.76556	0.1
418.14780	0.2
436.15939	0.8
457.19354	0.3
472.21704	9.3
473.21857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04972	1.3
59.86886	0.2
70.06507	0.9
71.04943	0.2
72.08066	0.3
74.02346	1.5
74.85789	0.2
76.02150	0.3
84.04411	0.5
84.08065	70.3
85.08399	1.0
87.05502	0.4
88.03884	0.2
88.07547	0.3
101.24082	0.2
112.07578	0.2
116.07024	0.5
116.79433	0.2
120.90323	0.3
123.04395	0.4
130.08604	100.0
131.08981	1.9
133.06042	0.4
133.47366	0.2
134.08102	0.5
150.66191	0.2
180.17349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71529	0.4
53.03876	0.6
56.96482	0.4
57.03368	0.8
58.06535	4.1
59.07299	0.8
60.08095	21.7
65.03857	0.6
68.28577	0.5
69.03347	5.0
69.07008	0.6
70.06509	5.8
71.04910	1.2
72.08070	9.0
73.02840	4.9
73.03173	0.5
79.05402	0.8
81.03336	6.0
83.04889	0.6
84.04419	0.9
84.08046	0.9
85.02830	8.6
86.09607	2.2
89.03838	0.7
90.09112	1.3
91.05401	12.9
92.10313	0.8
97.02810	4.0
98.97520	0.8
99.04380	2.3
103.05392	1.0
104.10680	58.5
107.04918	0.9
108.10276	0.6
109.02838	4.5
110.07074	1.1
112.56553	0.5
116.98613	0.6
117.03333	2.5
117.98818	0.5
119.04900	28.9
121.02773	0.6
124.03892	0.6
126.89590	0.5
127.03848	3.8
130.06483	1.2
131.06828	0.7
132.04396	1.2
132.10220	0.7
133.02843	0.8
135.04431	0.7
136.06171	0.9
137.05994	0.7
142.69174	0.5
145.02829	4.3
146.05989	51.0
147.04390	34.0
147.06267	1.4
148.04733	0.8
149.02226	0.7
152.05629	0.7
157.03944	1.2
162.05466	14.4
163.03864	5.8
167.06989	0.7
174.05391	4.2
175.03868	39.2
176.04384	0.5
177.05380	3.9
178.04993	3.5
179.06976	1.0
190.04955	0.7
191.03380	1.8
192.04050	0.7
192.06566	3.6
196.09616	0.6
201.05441	2.4
204.10165	1.0
206.04376	4.5
207.06497	41.2
219.01622	0.9
237.02791	0.9
243.63936	0.5
248.14780	0.7
265.08688	0.8
269.42276	0.5
279.03891	0.8
318.09659	1.0
323.09109	0.9
351.10623	1.2
414.17538	2.3
415.90762	0.6
442.17181	0.9
454.23361	1.2
456.18793	0.9
457.19205	2.8
470.08780	0.5
472.21680	100.0
473.22076	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	472.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02672	1.3
54.81623	1.2
54.93647	1.2
59.28345	1.4
59.36806	1.4
62.84199	1.2
62.98190	11.2
65.78830	1.2
67.05414	1.6
77.94788	1.4
81.06965	2.8
90.31203	1.4
91.05410	2.1
92.32597	1.3
95.08558	1.5
97.95724	1.4
102.38009	1.4
106.29169	1.4
116.92566	1.5
129.09923	1.5
136.06195	7.8
137.09576	1.8
149.34363	1.6
203.24034	1.6
221.44096	1.7
314.24716	1.5
323.86783	1.7
327.39014	1.8
456.70190	1.5
472.27942	100.0
473.28061	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.6
55.01800	1.6
55.05254	0.3
55.05450	4.4
56.65642	0.3
59.12299	0.3
65.03857	1.7
67.05426	3.4
68.24325	0.3
69.03347	2.0
70.06509	2.9
72.08067	10.2
73.02810	0.4
74.02338	0.4
81.03325	1.8
84.04443	0.5
85.02825	3.4
85.06464	0.4
86.09621	0.7
91.05377	0.6
93.06954	0.5
95.04897	1.7
95.08532	8.3
97.02811	1.5
98.05978	8.9
107.04865	0.4
107.08510	0.5
107.71730	0.4
108.02027	2.2
109.02812	1.8
109.58578	0.4
111.04354	0.6
115.08633	4.3
117.03310	0.4
119.04845	0.5
119.08543	0.8
123.08028	1.5
127.03883	1.5
130.06549	0.4
131.04895	0.6
131.08618	0.4
134.08148	0.4
135.11688	0.5
136.01529	0.5
137.05937	0.9
141.05434	4.5
145.02798	2.1
146.03349	0.6
146.06023	0.7
147.04376	0.9
149.09593	2.3
151.03883	100.0
151.04985	9.4
152.04196	0.8
157.02892	0.7
158.05943	0.5
161.05963	4.1
162.05461	10.0
173.92160	0.4
177.05499	1.9
178.05762	0.5
185.02232	0.6
186.05437	0.8
189.05421	2.1
189.12642	0.8
191.06995	0.6
202.08591	0.5
205.06511	0.5
207.13799	2.8
208.06030	0.5
215.03389	0.7
217.04929	4.6
218.08075	2.8
222.06813	0.7
234.07486	1.5
237.09142	1.6
243.03009	0.5
246.07529	2.4
249.05370	0.5
265.08572	1.9
272.05444	2.8
279.06439	0.6
282.02817	1.9
287.11365	0.5
288.12195	10.6
297.11511	0.6
305.14774	0.9
323.09018	0.6
324.06079	0.4
339.08664	0.5
340.09402	0.9
341.10168	0.6
367.08029	2.6
419.21136	0.5
437.16953	0.7
438.15356	5.3
455.18015	42.0
456.18192	1.8
473.18399	0.6
473.24088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.7
55.01792	1.2
55.05447	7.0
56.04971	0.6
63.00635	0.6
65.03848	0.9
67.05418	1.3
69.03349	2.7
70.06507	10.3
70.72745	0.6
72.07670	0.7
72.08069	16.1
73.02821	1.0
74.02341	3.2
76.56580	0.5
77.32119	0.7
78.56512	0.6
79.05419	0.7
82.75197	0.6
84.04408	1.0
84.08055	7.6
85.02814	1.6
86.09600	3.1
88.07573	0.9
88.30499	0.6
89.03835	0.8
91.05394	2.6
93.06967	0.9
97.02811	0.9
98.05985	16.5
98.09610	0.7
103.05394	1.0
105.06940	0.9
108.02042	1.5
109.02828	0.8
110.07109	0.8
110.63158	0.6
115.08652	10.5
116.07018	1.4
117.03307	4.2
119.04891	1.4
130.08574	1.2
131.04881	4.1
134.08081	2.9
134.99648	0.7
137.05963	1.1
141.05394	4.8
145.02791	8.8
146.03178	3.4
146.05981	2.9
147.04366	5.7
149.05911	1.0
151.03882	100.0
151.04988	9.5
152.04253	1.1
161.05919	5.3
162.05498	1.5
163.07503	1.2
175.07542	0.8
176.04649	3.2
177.05420	8.9
177.12505	0.7
178.05762	4.0
181.06418	0.7
189.05389	3.3
191.06979	3.7
201.05434	1.3
202.02417	0.7
217.04887	5.4
218.07932	1.3
237.09013	1.5
243.11490	0.8
246.07448	1.3
251.06848	0.8
259.09601	1.6
265.04739	0.8
265.08466	3.9
271.10550	1.0
272.05484	2.9
272.11417	1.0
282.02744	1.3
286.13080	1.4
287.13858	12.3
288.12051	5.7
291.06369	1.3
307.06241	0.8
308.06744	1.2
323.08939	5.9
339.08490	1.3
341.10294	1.3
341.24326	1.1
367.07809	1.2
408.14178	0.9
437.16959	17.5
438.15564	3.3
441.18768	0.7
455.17984	26.9
473.19128	5.2
473.28741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	3.9
55.13045	0.8
56.07108	0.8
56.96494	2.0
57.03379	0.9
69.03335	3.6
70.06181	1.1
70.06508	16.0
71.04871	1.1
71.58347	0.8
71.70354	1.1
72.08068	32.5
73.02812	1.3
79.05427	1.1
81.03309	4.6
84.04412	1.7
84.08053	2.1
85.02807	2.1
86.09641	1.4
88.02113	0.9
91.05383	4.0
95.04894	1.3
97.02825	5.8
98.05943	2.2
100.03910	1.2
103.05370	3.9
105.06968	2.3
110.07114	1.1
115.05325	1.5
115.08635	2.1
119.04832	1.7
120.08013	1.0
124.03922	1.9
127.03852	0.9
130.06496	1.4
131.04886	6.0
133.06461	4.3
137.05925	14.9
139.05376	1.7
145.02786	1.5
146.05995	9.2
147.04379	5.4
147.06306	1.9
151.03888	15.3
154.08699	1.7
157.02835	5.0
158.05980	4.8
160.05246	1.3
161.05923	16.9
162.05486	6.9
162.06622	1.0
163.03983	1.1
163.07532	2.1
167.04889	1.5
173.05931	1.6
174.05415	1.8
175.03773	1.7
176.04674	1.8
177.05435	2.1
183.04442	1.3
184.05150	3.5
185.02298	8.0
186.05490	4.5
189.05377	14.2
191.06779	2.2
191.08185	4.8
192.05699	1.4
193.09676	1.1
195.04416	9.1
199.07515	2.1
201.05338	10.0
203.05656	1.2
205.06482	1.8
207.06450	14.5
207.08095	1.6
208.05061	1.1
209.05904	1.3
212.04640	14.3
213.05347	1.9
214.04893	2.2
215.03558	1.1
217.04942	14.2
218.08141	13.4
220.05151	4.8
221.04382	14.9
221.05989	1.0
227.06955	1.9
229.04930	20.0
233.05901	1.1
234.07408	5.5
235.07516	13.0
237.02878	1.2
237.05341	5.4
237.09019	1.4
244.07179	1.3
246.07639	9.3
248.04636	6.2
249.05313	2.3
251.06993	1.7
252.07774	1.9
259.09598	100.0
260.09903	6.3
262.06207	1.0
263.06979	19.6
264.07800	2.3
265.04846	16.4
265.07880	1.9
267.02701	1.2
279.06335	1.4
280.07251	9.5
281.08102	1.4
288.12177	15.2
291.06482	10.1
293.04410	22.2
295.09552	10.8
305.14844	9.8
307.05762	1.9
307.12497	2.3
308.06735	36.5
309.07205	1.6
311.09000	4.0
323.09067	82.2
324.09415	4.2
325.13831	4.8
339.08496	7.0
341.10190	8.7
349.07153	1.0
349.13708	1.8
350.10004	1.8
367.07904	4.3
385.08917	1.7
411.18875	1.7
412.17380	1.8
429.20139	13.4
437.16394	1.2
455.18118	5.5
456.16534	3.4
473.19061	14.5
474.19275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	1.5
56.96499	12.6
57.03373	1.0
59.86514	0.5
61.17776	0.5
64.05704	0.5
67.05418	3.1
69.06988	1.6
71.95182	0.7
79.05377	0.7
81.06966	3.4
82.07312	0.8
83.08522	0.7
91.05422	0.8
92.84406	0.6
95.08519	2.4
102.92535	3.3
107.08519	1.4
118.92104	0.7
119.08476	1.0
134.98148	3.4
136.93082	7.3
146.99640	0.8
154.94141	35.9
172.95200	100.0
177.95630	0.6
184.95462	0.7
190.96251	69.4
192.95731	1.0
195.96870	2.6
208.97362	1.3
210.96768	9.1
212.98328	1.1
213.97862	2.5
228.97812	35.9
230.99586	1.9
246.98895	7.4
251.99377	0.8
319.19363	12.6
335.18921	3.8
337.20432	35.4
338.20871	0.9
355.21585	1.6
359.53702	0.7
360.22128	1.3
384.09149	0.7
399.16049	3.0
417.17001	1.1
431.82736	0.8
455.18506	8.6
471.65411	0.8
472.24945	1.5
473.19705	78.1
474.20096	3.9
496.21106	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	34.4
57.03364	15.7
57.07005	16.9
57.93954	2.8
67.05422	28.6
69.06989	46.1
71.08536	4.5
71.30508	2.8
72.04417	5.3
72.40968	2.9
73.67017	2.8
78.95163	3.1
79.05421	11.9
81.06973	30.2
83.08521	17.2
85.06461	3.6
91.05370	3.4
93.06963	20.4
95.08545	26.0
97.06498	5.3
97.10105	11.1
105.06934	3.3
107.08535	6.5
109.10090	12.3
121.10110	6.9
134.98151	61.7
135.11638	6.1
147.47028	3.1
147.82622	3.2
191.10332	13.1
230.04837	3.3
230.18028	3.3
290.71408	3.3
319.22333	4.6
339.28952	29.7
390.39230	4.1
473.26059	100.0
473.32993	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67041	1.8
55.01802	2.1
55.05457	19.3
56.04983	2.7
57.07015	2.3
58.99511	4.6
61.01087	2.9
67.05441	23.9
67.47067	1.8
69.06985	19.0
70.06503	1.9
71.04901	3.6
74.00594	2.2
74.19066	2.1
76.02142	8.8
78.07808	2.1
79.05415	13.9
80.04913	2.9
81.06984	26.3
82.06458	2.4
83.04886	2.3
83.08525	10.4
85.01061	2.7
85.06483	2.3
86.00582	8.9
87.02628	2.4
88.02153	2.7
91.05404	10.4
93.06970	16.1
94.06474	20.7
95.08531	16.0
97.06484	2.5
97.10109	10.8
99.02613	9.5
101.04160	2.7
105.06983	11.5
107.08548	11.8
109.10110	12.2
112.02129	4.0
116.01645	9.0
119.08563	4.6
121.10105	4.7
122.32178	2.6
123.08051	5.1
124.02188	2.5
125.09584	3.2
126.03616	2.7
129.54495	2.4
133.10094	8.3
135.11688	2.9
142.19829	1.9
143.08722	2.4
145.10146	2.2
147.11751	2.7
149.02328	9.8
155.08778	2.2
157.10120	3.9
161.13359	2.2
162.02219	2.9
164.14365	3.2
165.09119	9.9
172.11563	3.2
193.05022	2.6
194.11792	3.5
196.11401	2.1
205.12245	2.9
222.14781	8.5
240.10535	10.8
258.13589	2.4
277.21591	3.1
295.22562	3.8
313.32452	2.1
334.22018	3.6
352.23038	30.8
370.24060	52.5
455.25629	8.7
473.26767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68968	1.1
53.03883	1.2
55.01809	2.8
55.05454	15.9
57.03360	1.4
57.07017	1.5
58.99516	1.9
61.01094	2.0
66.78829	1.3
67.05428	20.6
69.03340	1.4
69.06985	12.9
71.08537	1.7
74.00582	5.7
76.02139	9.2
79.05412	13.2
80.04916	2.4
81.06978	16.9
83.04913	1.8
83.08532	5.8
85.10093	2.0
86.00569	8.3
87.02626	5.6
89.09124	1.3
91.05404	8.8
93.06978	14.6
94.06502	19.4
95.04901	2.7
95.08527	19.5
96.04417	1.7
97.06489	2.6
97.10083	2.9
99.02619	5.9
100.02150	2.1
105.06977	9.3
107.08527	9.3
109.10117	6.7
112.02155	10.3
114.12800	1.2
116.01668	10.5
116.05291	1.9
119.08551	7.1
121.10069	3.0
123.08027	8.5
125.09639	1.3
126.03723	2.3
133.10094	2.5
135.07997	1.6
135.11627	3.3
147.11714	2.5
155.08794	2.1
161.13205	1.9
166.15909	3.4
172.11458	3.3
181.10538	1.7
183.11987	2.3
187.44913	1.4
190.15823	1.9
194.11740	3.1
196.11560	1.9
220.50648	1.4
222.09512	2.2
222.14909	6.7
240.10461	2.9
242.12090	2.5
295.22620	3.4
318.24295	2.6
334.22006	3.1
335.25964	2.1
352.22983	29.9
370.24005	51.4
374.58978	1.6
390.79251	1.4
455.25693	7.7
473.19931	3.4
473.26678	100.0
474.26865	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81470	2.1
55.01830	2.2
55.05452	21.9
57.07014	3.4
65.03847	2.0
67.05430	25.1
69.06989	20.2
70.06522	1.8
71.04914	4.8
74.00589	4.0
76.02149	7.9
79.05411	18.4
80.04948	2.6
81.03336	2.6
81.06985	19.4
82.06495	3.6
82.09014	1.8
83.04910	3.4
83.08543	10.0
83.15637	1.8
86.00581	7.9
86.77549	2.0
87.02647	4.4
87.04412	2.0
87.08087	1.8
87.49450	1.8
89.74100	2.0
91.05402	9.8
93.06954	16.1
94.06511	17.5
95.04905	3.4
95.08533	20.1
97.01039	2.7
97.10108	8.7
99.02620	3.6
104.07052	3.5
105.06969	17.0
107.08526	16.3
109.10131	12.5
111.02622	3.1
112.02156	11.0
113.04215	2.2
116.01638	9.0
119.08534	16.1
121.10133	12.1
125.09578	3.5
127.11179	3.2
131.08521	7.8
133.10109	12.5
134.99651	3.9
135.11684	8.0
143.08612	3.9
144.01083	2.8
145.10124	10.8
147.11719	9.6
149.13281	2.6
151.11212	3.2
157.10094	3.6
159.11765	10.8
161.13242	4.6
162.02184	3.0
169.10088	1.9
171.11739	4.7
172.11693	2.3
173.13306	3.8
175.14792	2.6
179.14323	8.2
183.11839	10.0
185.13263	14.8
187.14952	2.2
191.14378	2.5
199.14969	2.5
222.09424	2.9
222.14899	8.4
240.10597	3.2
247.08662	3.0
277.21640	3.8
295.22690	3.8
318.82870	2.1
352.22977	27.1
370.23993	48.5
419.33179	3.0
437.34070	3.5
455.25656	12.7
473.26727	100.0
474.26987	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	473.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23391	0.6
55.05446	1.3
57.03354	0.6
67.05410	2.3
69.06982	4.1
79.05396	1.3
81.06968	2.7
83.08546	0.7
86.09614	1.3
91.05407	0.8
93.06948	1.0
95.08514	2.7
98.02098	7.5
105.06914	1.0
107.08504	1.2
109.10113	1.0
117.06901	0.6
119.08477	0.6
122.08125	0.8
131.08545	0.9
134.98132	3.9
143.19907	0.5
398.30139	0.8
473.26816	4.1
473.33380	100.0
474.28226	0.6
474.33939	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	473.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80943	0.4
55.05453	2.0
57.03360	0.5
57.07003	0.6
59.06036	0.4
60.16705	0.4
67.05415	1.9
69.06969	2.0
71.08533	0.4
79.05431	0.5
81.06971	2.0
82.05337	0.4
83.08535	0.9
85.10102	0.5
93.06986	1.7
95.08520	2.0
97.10090	0.5
105.14429	0.4
107.08535	0.8
119.08527	0.5
121.10159	0.5
126.89056	0.4
133.10014	0.5
134.98157	2.2
135.11679	0.4
179.26825	0.4
205.12160	0.8
230.11726	0.5
339.28906	0.8
348.36285	0.5
473.26767	4.9
473.34406	100.0
474.34769	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	474.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.4
55.01801	0.4
55.05416	0.2
57.03371	1.6
61.02842	1.3
69.03342	4.2
69.06966	1.2
70.06496	0.2
71.04893	0.8
73.02820	2.3
81.03332	3.6
84.04409	0.4
85.02821	9.9
85.03343	0.3
86.78177	0.2
87.04385	0.9
87.08025	0.9
91.03847	0.4
91.25414	0.2
97.02818	6.2
99.04379	0.8
99.08009	0.4
103.03845	0.2
109.02822	3.5
109.04523	0.2
115.03853	1.0
116.04911	1.3
117.09066	4.1
124.88548	0.2
127.03864	3.7
133.04913	0.8
134.05963	2.7
144.04442	1.7
145.04919	3.4
148.03923	1.1
162.05455	100.0
163.05869	3.2
163.09613	1.1
190.04945	9.6
208.05991	8.2
236.72484	0.2
249.15608	1.4
280.08121	0.3
295.13608	0.3
316.08139	1.2
334.09164	2.7
352.10037	1.1
438.13907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20913	0.1
53.03878	0.4
55.01810	0.3
57.03361	1.0
61.02845	1.2
61.87099	0.2
62.40426	0.2
67.74080	0.2
69.03345	4.0
69.06985	1.1
70.06509	0.2
71.04922	0.3
72.08083	0.2
73.02820	1.1
81.03333	3.4
81.91241	0.2
84.04398	0.3
85.02826	9.2
86.09620	0.2
87.04398	0.9
87.08021	0.8
91.03854	0.2
97.02824	5.5
99.04369	0.9
99.08005	0.3
109.02837	4.1
115.03858	0.5
116.04923	0.7
117.09088	1.5
127.03870	4.0
133.04955	0.2
133.08546	0.3
134.05974	2.9
144.04384	1.6
145.04932	3.3
146.06020	0.3
147.04326	0.3
148.03917	1.0
162.05467	100.0
163.05859	3.8
163.09619	0.2
168.15685	0.2
190.04950	9.9
208.06012	8.4
212.98759	0.2
234.07677	0.2
262.07040	0.3
270.07520	0.2
280.08075	0.4
295.13574	0.2
298.07208	0.3
316.08081	1.1
334.09152	2.4
352.10159	1.5
436.20840	0.2
438.13812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32983	1.4
53.02213	1.4
58.99511	1.8
69.03347	1.8
69.06963	2.6
70.06500	3.0
76.02141	12.7
78.01707	7.1
84.04422	1.8
85.02826	16.0
88.80781	1.7
94.01281	1.9
97.02809	7.4
103.64884	2.2
105.05738	1.8
111.05515	3.9
116.98498	2.3
118.01212	1.9
120.04427	2.8
123.04384	16.8
123.05447	2.0
125.61094	1.7
126.06618	3.5
127.03895	4.0
130.05009	2.2
130.84572	1.8
132.04410	41.9
134.05992	8.8
137.04709	2.5
145.04921	2.8
151.06123	19.3
162.05481	2.1
164.01668	2.4
180.08792	7.1
194.06790	4.0
232.34006	1.9
242.09198	9.1
257.10275	7.7
259.11871	17.0
284.11267	3.5
302.12439	23.3
327.11838	2.8
337.34470	2.0
345.12976	100.0
346.13208	2.7
474.17291	12.0
486.28842	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03374	0.5
61.01577	0.4
69.03333	1.9
73.02812	0.5
81.03335	0.7
85.02824	4.4
95.08517	0.7
97.02817	1.7
98.97510	0.5
110.03506	3.4
110.05550	0.4
110.81413	0.4
116.98598	0.6
127.03862	0.6
128.04453	0.7
132.06497	0.4
137.05992	0.5
137.08168	1.9
145.04965	1.9
146.05977	4.1
147.04393	0.6
153.04076	3.1
165.06427	0.5
172.03938	2.9
180.08755	100.0
181.09048	1.7
188.76830	0.4
303.00116	0.5
306.76587	0.4
345.13000	1.8
474.17688	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	474.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03361	0.5
61.02853	0.5
69.03336	1.4
69.06963	0.4
73.02811	0.6
76.11917	0.2
81.03307	0.5
81.38158	0.3
85.02824	4.7
95.08538	0.6
97.02814	1.5
110.03481	5.0
116.98540	0.5
121.40226	0.3
127.03869	0.5
128.04492	0.4
130.06412	0.4
132.04410	0.4
136.06166	0.3
136.07547	0.7
137.05914	0.7
137.08214	2.6
145.04938	0.5
146.06015	0.6
153.04025	2.3
162.07719	0.6
165.06467	0.5
179.06993	0.4
180.08763	100.0
181.09111	1.8
195.96016	0.3
230.59746	0.3
259.11768	0.3
313.49554	0.3
345.12991	1.6
474.17526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20094	0.6
53.03883	2.8
55.01805	3.5
56.96511	1.0
57.03373	6.4
61.02849	10.4
67.23542	0.6
69.03004	1.2
69.03348	20.9
69.06989	9.7
70.06487	2.6
70.39413	0.6
71.01307	0.6
71.04897	3.0
72.08065	1.0
73.02827	4.8
81.03339	8.6
83.01283	0.9
84.04409	1.0
85.02825	100.0
86.03168	1.2
86.09617	1.0
87.04408	3.0
87.08042	3.0
91.03867	5.2
92.10235	1.6
92.64259	0.7
97.02816	27.6
98.97523	0.7
99.04393	5.3
109.02824	8.2
127.03881	20.9
130.06532	4.9
131.06812	0.9
133.08575	0.9
145.04932	26.1
162.05458	13.2
163.05986	9.1
190.04964	1.3
208.06087	0.9
295.13754	1.7
474.03299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23008	0.1
51.19795	0.1
53.27229	0.2
69.03338	0.8
69.06989	1.6
69.43099	0.2
74.02338	0.2
81.66419	0.2
85.02832	1.2
86.09621	100.0
87.09446	0.2
87.09941	1.9
90.29869	0.2
97.02824	0.4
116.25872	0.2
119.96976	0.2
127.03870	0.9
132.10159	39.6
133.06081	0.2
133.10480	0.9
136.06186	1.7
145.04933	0.4
242.97020	0.2
438.44757	0.2
490.11502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20094	0.6
53.03883	2.8
55.01805	3.5
56.96511	1.0
57.03373	6.4
61.02849	10.4
67.23542	0.6
69.03004	1.2
69.03348	20.9
69.06989	9.7
70.06487	2.6
70.39413	0.6
71.01307	0.6
71.04897	3.0
72.08065	1.0
73.02827	4.8
81.03339	8.6
83.01283	0.9
84.04409	1.0
85.02825	100.0
86.03168	1.2
86.09617	1.0
87.04408	3.0
87.08042	3.0
91.03867	5.2
92.10235	1.6
92.64259	0.7
97.02816	27.6
98.97523	0.7
99.04393	5.3
109.02824	8.2
127.03881	20.9
130.06532	4.9
131.06812	0.9
133.08575	0.9
145.04932	26.1
162.05458	13.2
163.05986	9.1
190.04964	1.3
208.06087	0.9
295.13754	1.7
474.03299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	1.0
54.42151	0.6
55.65525	0.6
56.96496	0.8
60.86733	0.7
63.52520	0.7
69.03342	3.3
70.06513	3.8
71.04923	0.7
72.08057	3.9
78.03371	1.5
80.04894	0.9
81.03333	4.3
84.04391	1.0
84.08045	1.1
85.02824	4.0
86.09625	2.9
91.05379	1.7
92.10139	0.7
94.89676	0.7
96.04436	1.5
97.02833	7.2
98.05989	1.0
99.05095	0.6
106.02858	9.8
107.04913	0.9
109.02832	3.8
116.04919	0.8
117.03391	0.8
119.04878	1.7
124.03911	62.2
127.03888	0.8
134.05966	2.7
144.04468	0.8
145.02798	3.5
146.06055	0.8
147.04407	5.4
150.05475	1.7
151.03920	1.3
162.05473	100.0
163.03918	1.6
163.05719	1.1
164.88765	0.8
168.81750	0.7
177.05444	1.7
181.04831	1.3
186.09142	0.7
190.04945	9.2
207.06474	0.9
208.06044	10.9
211.05983	1.3
212.10361	0.8
268.08075	18.9
282.02808	1.0
422.32059	0.8
475.13055	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	475.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02311	0.4
53.03875	1.3
55.01800	0.2
55.05440	0.4
57.03358	0.5
62.07841	0.2
67.03948	0.3
69.03349	4.7
70.06491	1.4
71.04907	0.5
71.63680	0.3
72.08065	1.3
73.02835	0.4
74.28830	0.3
78.03369	9.5
80.04923	1.2
81.03336	8.8
83.86871	0.2
84.08073	0.4
85.02407	0.3
85.02829	4.2
86.09605	0.5
91.05389	1.5
96.04411	6.1
97.02830	3.7
98.05994	0.2
98.09595	0.3
99.04379	1.6
106.02858	40.3
107.03181	1.0
109.02838	4.4
112.11193	0.3
116.04939	0.9
117.03279	0.3
118.51865	0.2
119.04879	1.7
123.04388	0.3
124.03910	55.1
124.55901	0.2
125.04245	1.3
127.03865	1.8
129.30978	0.2
134.05963	4.1
144.04431	2.0
145.02837	1.5
146.05962	0.6
147.04379	2.1
147.17403	0.3
148.03905	1.1
149.05896	0.3
149.09586	0.2
151.03882	1.0
158.05824	0.3
162.05466	100.0
163.05846	2.5
166.04932	0.3
174.05409	0.4
175.03836	1.4
177.05421	2.5
186.05463	1.6
190.04944	7.7
190.06548	0.5
191.05307	0.3
204.06577	1.6
204.10185	0.3
207.06453	2.8
208.06030	6.4
210.24065	0.3
232.05957	0.3
250.07025	2.5
268.08093	14.6
269.08493	0.4
333.85306	0.3
359.40399	0.3
429.13007	2.8
457.12497	1.3
475.13376	28.9
476.13773	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	0.5
69.06977	2.6
70.02852	2.2
70.06499	2.2
74.02349	58.0
84.04449	0.5
84.08055	0.8
86.06001	0.5
86.09624	57.8
87.05515	53.3
87.09409	0.7
87.09956	8.5
88.03912	16.3
88.07555	0.5
92.64811	0.4
99.00784	0.4
116.03410	16.0
127.03852	1.6
130.08588	0.7
132.06546	1.0
132.09154	0.5
132.10168	21.7
133.06049	100.0
133.10509	2.7
134.04437	2.6
134.08092	2.7
151.22270	0.4
340.30350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.5
54.90595	0.2
55.05432	0.4
57.03373	0.2
63.02292	0.4
63.84061	0.2
69.03354	1.8
70.06515	0.7
71.04919	0.4
72.08066	1.7
73.02827	0.3
73.97804	0.2
80.07299	0.2
81.03336	4.3
83.04889	0.5
83.47242	0.2
84.08068	0.3
85.02821	2.5
89.03308	0.3
89.03839	7.0
91.05406	0.9
97.02824	1.7
98.05975	0.2
99.04375	0.8
101.05984	0.3
103.05360	0.3
107.04893	0.2
109.02815	1.4
112.40754	0.2
116.98589	0.2
117.03326	28.4
119.04880	0.4
120.08025	0.3
124.03912	1.0
127.03866	0.5
134.03584	2.2
135.04366	3.1
145.02824	78.3
146.03168	0.9
147.04361	0.4
149.05959	12.9
150.05392	0.3
151.03879	0.3
152.06909	0.3
162.05486	1.9
163.03879	1.5
177.05435	100.0
178.05785	1.6
181.04962	0.4
186.05417	1.2
195.06514	1.1
201.05350	2.6
202.05675	0.8
256.06006	1.8
257.06277	0.3
291.05954	0.3
305.27707	0.2
321.09650	3.4
323.08923	1.0
324.09415	0.8
339.10715	4.8
439.18405	1.2
440.18680	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09957	0.4
51.93190	0.3
55.05462	0.6
57.07019	0.8
59.22215	0.4
59.60968	0.4
60.62854	0.5
67.05433	0.7
69.06986	3.0
71.43589	0.4
79.05411	0.8
81.06969	2.5
89.03841	11.3
89.60593	0.5
91.05399	1.0
91.24766	0.5
93.06981	0.6
95.04885	0.7
95.08529	1.1
97.06468	0.5
98.22491	0.4
106.04139	0.7
107.08601	0.6
117.03326	40.7
120.15878	0.6
121.10159	0.5
124.05177	0.8
134.03592	2.2
135.04391	3.2
137.09409	0.5
145.02823	91.5
146.03232	0.8
149.05948	15.9
163.03860	0.6
165.09120	0.6
177.05429	100.0
178.05803	1.1
179.10657	0.7
183.21480	0.5
186.05437	2.2
194.11484	33.4
203.10594	0.6
221.11717	0.8
264.29294	0.5
475.27686	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01140	2.5
51.61094	2.5
53.03869	5.1
55.01805	4.5
56.04974	5.4
57.03373	3.0
61.02835	2.7
66.10638	2.8
69.03346	18.4
69.06989	5.8
70.06506	28.2
71.04914	3.6
72.08060	11.5
73.02821	5.2
74.05984	4.4
74.21403	2.9
78.48999	2.7
79.05406	5.8
81.03334	24.2
83.04916	4.0
83.06034	4.7
84.04436	17.6
84.08052	12.9
85.02816	48.4
85.06507	3.0
86.09628	18.8
87.00730	12.1
89.72760	3.0
91.05402	15.5
92.63973	3.0
93.04451	3.2
97.02802	26.8
99.04414	5.6
101.05927	7.6
101.07064	3.8
103.05396	4.6
105.06982	76.4
107.04896	12.9
109.02814	7.7
110.07105	55.6
115.05422	12.5
118.04079	5.9
119.04915	14.4
123.04456	3.6
124.03896	6.0
127.03871	17.9
129.10196	5.3
133.02829	17.7
133.06458	83.6
135.04315	3.9
136.07535	30.9
145.02892	5.6
146.06009	12.4
147.04416	32.1
147.06297	3.9
151.03896	5.1
155.05750	4.2
159.02867	3.9
161.05949	100.0
162.05482	21.7
163.03819	22.1
168.10179	14.5
170.08018	4.9
177.05444	6.5
179.03372	15.1
189.87224	3.1
193.08575	52.9
223.10426	3.3
228.08723	3.2
322.12970	5.1
346.14517	5.1
390.94009	3.2
447.12628	3.1
464.76874	2.7
474.73645	3.3
476.20966	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42048	1.3
55.05451	16.9
57.03370	20.6
57.07002	1.8
63.02190	1.9
64.70473	1.5
65.12916	1.6
67.05077	3.3
67.05429	84.1
67.16916	1.3
68.55159	1.4
69.06983	11.6
70.06487	1.8
79.05407	35.6
81.06977	65.1
82.06467	1.5
83.08544	3.6
85.87564	1.5
86.09634	9.9
91.05416	21.9
93.06971	44.0
95.04903	4.1
95.08533	37.8
97.06484	2.9
105.06980	12.6
107.08562	16.3
109.10104	10.9
117.06961	3.5
117.72269	1.6
119.08540	8.3
121.10109	11.2
123.11694	6.1
131.08559	7.3
132.10193	3.3
133.10101	3.4
135.11641	3.7
145.10098	6.2
149.13269	8.2
159.11649	2.1
161.13214	2.3
173.13258	3.1
187.14815	2.4
221.60745	1.5
304.26364	6.1
317.24850	2.4
317.66125	1.8
335.25732	100.0
336.26047	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20864	3.5
55.05436	23.5
57.03367	19.2
62.06004	19.3
65.03872	3.6
67.05428	61.8
69.03342	5.2
69.06973	21.2
71.04930	3.6
79.05404	34.4
81.03357	4.3
81.06964	55.9
90.36137	3.5
91.05403	28.9
93.06969	35.1
95.08525	39.3
105.06973	7.3
107.08529	25.7
109.10086	5.2
117.06975	4.4
119.08533	60.9
121.10057	16.6
135.07964	7.5
144.81203	4.4
165.40494	3.8
173.13039	4.4
192.85527	4.5
335.25702	100.0
494.92407	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	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53020	4.5
55.05441	27.4
57.03370	4.9
62.05996	34.9
67.05424	80.1
69.06966	31.3
79.05400	50.5
79.68193	5.8
81.03329	5.7
81.06969	68.0
83.08522	7.9
85.25751	5.8
89.22056	5.4
91.05407	13.1
93.06969	60.5
95.08524	58.2
97.10084	7.1
98.98400	13.6
100.93920	5.2
104.10645	6.8
105.06973	9.2
107.08536	37.1
109.10105	26.4
114.72215	5.0
119.08504	26.0
121.10036	8.4
135.11565	6.7
145.10081	8.6
150.48668	6.0
168.12978	6.9
171.46739	5.8
186.96698	7.1
204.97752	6.9
267.66040	6.6
270.21036	6.1
304.26187	11.2
335.25793	100.0
407.16998	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	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37949	3.5
55.01803	4.2
55.05447	24.8
57.03363	24.8
57.07003	4.2
62.06013	9.6
62.18344	4.0
64.64857	4.0
67.05431	85.4
69.06987	8.0
75.52138	4.4
78.82271	4.4
79.05416	41.2
81.06981	62.2
87.52341	4.0
91.05422	23.0
93.06994	43.9
95.08540	44.4
97.06528	5.9
98.98380	6.0
105.06973	22.8
107.08547	30.1
109.10120	17.7
117.07025	4.7
119.08518	9.0
121.10131	19.5
128.77780	4.3
131.08560	8.2
135.11624	4.6
145.10159	7.3
267.64157	4.3
335.25708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.3
53.03866	0.2
53.25652	0.2
55.05449	0.7
67.05430	3.0
69.06990	1.7
71.04900	1.1
79.05399	1.1
81.06969	3.5
91.05397	1.1
92.10874	0.6
93.06985	2.4
95.08531	2.6
105.06962	1.4
107.08533	3.1
109.10110	6.1
119.08533	4.1
121.10100	0.9
122.07234	1.3
123.11641	1.1
127.11170	1.0
133.10110	1.7
135.11658	2.4
137.09596	14.3
147.11671	0.3
149.09593	0.8
149.13246	0.4
153.12730	0.8
161.13185	0.3
165.09081	100.0
166.09412	1.9
173.13147	0.3
179.10603	1.4
187.11177	0.2
187.14793	0.2
190.09970	0.3
203.10565	0.4
203.17924	1.1
205.12210	5.1
233.15398	0.4
245.22572	0.4
271.24118	0.2
289.25089	0.3
301.21506	0.3
355.26147	0.8
381.61047	0.2
423.32498	1.2
441.33661	1.9
494.87692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32117	1.8
55.05446	18.9
55.11149	1.9
55.28039	1.8
56.12313	1.9
57.03379	2.1
57.07006	2.9
67.05417	16.8
69.03339	3.0
69.06989	37.0
71.04919	10.5
72.89957	2.1
79.05406	10.8
81.06975	100.0
82.07285	2.3
83.04906	11.4
83.08533	15.7
85.06488	3.5
88.50948	2.0
91.05416	12.1
93.06973	21.2
95.08536	41.0
97.10120	2.8
99.08038	3.4
105.06962	18.7
107.08540	35.9
109.06409	3.4
109.10128	21.7
111.08021	2.4
119.08534	22.6
121.10085	18.9
123.11677	4.2
125.09529	4.7
126.52412	2.2
129.09045	5.5
131.08522	3.2
133.10124	12.1
135.11668	10.1
137.13246	4.0
143.08559	2.9
143.10672	14.9
145.10100	4.7
147.11664	11.6
149.09621	9.7
149.13281	2.9
157.10164	3.6
159.11710	9.8
161.13182	4.0
171.11728	2.5
173.13235	4.3
175.14758	3.5
181.07327	2.3
199.14902	2.2
203.17926	2.8
476.32516	3.2
477.33701	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	476.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	3.5
55.01794	2.2
55.05451	18.5
57.03367	1.2
57.07001	9.0
59.04937	1.3
60.11044	1.1
67.05430	28.5
69.03336	2.9
69.06985	49.2
71.04900	7.9
71.08516	1.2
79.05405	28.6
81.06972	100.0
83.08528	9.3
83.11373	1.5
85.06464	2.2
86.35599	1.5
91.05394	17.0
92.10937	2.8
93.06969	40.3
94.07298	1.4
95.04895	2.1
95.08533	55.1
97.06438	2.5
97.10095	2.1
99.08015	2.3
105.06970	31.1
105.73799	1.5
107.08536	46.2
109.06446	6.5
109.10106	42.6
111.08015	5.7
117.06946	6.2
119.08526	32.6
120.08822	2.2
121.10094	28.4
123.08070	1.6
123.11657	12.7
125.09589	7.5
127.11159	1.9
129.06934	1.9
131.08517	8.4
133.10085	20.2
135.11626	15.9
137.09605	1.7
137.13217	5.1
143.08548	6.0
145.10085	12.6
147.11655	19.9
149.13219	13.5
151.11151	1.6
153.12677	2.4
157.10089	3.4
158.10916	1.4
159.11674	14.5
161.13258	8.4
163.14729	2.3
165.12672	6.0
171.11661	5.6
173.13234	6.8
175.14786	5.2
177.05310	1.6
177.16319	2.7
185.13147	2.4
187.14751	7.3
189.16251	2.8
199.14783	5.5
201.16399	5.7
207.17476	1.4
213.16338	2.0
215.17938	3.2
217.19554	1.9
219.17441	1.9
257.22650	1.8
283.24094	2.7
423.36243	2.3
424.37000	1.6
441.37186	1.6
476.32721	12.8
477.32965	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	476.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71356	1.2
53.00234	1.7
53.03878	1.8
55.01800	2.3
55.05459	17.8
57.07018	3.6
59.02484	1.2
59.04927	1.8
67.05428	25.5
69.03364	2.2
69.06992	52.8
71.04910	14.0
79.05407	20.8
81.06977	100.0
81.95557	1.4
83.04883	2.5
83.08552	12.0
85.06473	2.4
91.05405	15.5
93.06972	42.2
95.04916	2.9
95.08535	51.5
97.06462	3.1
97.10087	7.1
99.08017	3.6
105.06982	34.0
107.08543	46.4
109.10106	36.7
113.94190	1.5
117.06953	3.8
119.08522	26.9
121.10108	24.3
122.25358	1.9
123.08070	2.1
123.11675	15.4
125.09615	10.4
127.11169	3.7
129.07001	2.7
131.08554	12.7
133.10088	14.3
135.11671	16.4
137.13254	3.1
143.08549	8.6
143.10686	17.0
144.09308	2.3
145.10147	22.7
147.11682	16.7
149.13257	11.2
157.10106	11.6
159.11664	18.9
161.13222	10.4
169.12271	2.3
171.11641	3.2
173.13219	6.6
175.14781	3.4
183.11682	2.9
185.13231	1.9
187.14772	3.4
189.16388	6.3
191.18085	2.1
197.13274	2.9
201.16368	8.2
203.17932	2.0
213.16203	5.1
215.17923	3.8
225.16397	2.2
229.19539	1.8
283.24112	1.9
423.36011	5.9
476.32581	16.7
477.33588	2.2
487.32074	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	477.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78801	1.2
54.81858	1.7
56.77689	1.3
57.07021	13.4
67.05426	1.8
69.06957	2.3
73.65411	1.6
79.42008	1.6
81.06970	2.8
101.19710	1.7
105.06980	10.0
105.81391	1.8
107.08538	2.5
119.08528	22.3
121.10084	37.8
133.10123	16.7
145.10162	2.3
147.11671	33.3
157.10089	2.1
165.09111	2.3
175.11179	15.4
283.16858	100.0
339.23111	63.0
340.23386	2.1
356.60254	1.6
399.81210	1.9
432.11853	1.7
477.31699	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	478.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81359	1.3
55.01796	5.3
55.05442	7.9
56.04957	2.3
57.03346	1.2
57.06999	1.9
58.75661	1.4
58.99521	21.4
67.05424	8.1
67.95322	1.1
69.03337	2.8
70.06503	5.3
71.04904	2.1
71.08537	27.6
72.08068	2.3
74.00574	7.3
75.69710	1.2
76.02134	100.0
76.03906	5.9
79.05399	13.7
81.03339	2.2
81.06953	2.7
83.01251	1.8
83.04907	2.2
83.06021	6.6
84.04420	41.7
84.04871	2.4
84.08067	1.7
85.01039	2.8
85.02835	2.8
86.00562	10.2
86.98978	8.7
89.03831	3.4
91.05391	6.4
93.06966	7.6
95.08570	1.5
97.02819	9.5
99.04365	13.0
99.08021	44.9
102.03716	1.9
105.06965	5.0
107.04890	8.3
107.08526	23.7
109.02849	2.9
111.02599	1.7
111.04385	7.1
112.70977	1.3
114.00056	15.4
116.01605	25.3
116.07048	1.9
116.10694	1.7
117.03344	9.9
117.06925	10.1
119.04893	2.3
120.08024	5.7
123.02581	1.7
124.02137	1.6
127.03876	1.8
129.06560	5.3
130.04955	10.2
133.10014	1.7
134.05931	2.5
135.08043	17.2
139.26292	1.4
142.03200	8.7
143.02718	7.7
144.01099	11.8
145.02815	27.7
145.06104	2.2
146.03152	3.0
146.05954	2.9
147.04340	2.5
149.05940	3.3
153.09076	15.6
157.06812	9.2
162.02171	27.8
162.05466	41.2
165.07288	1.9
170.02649	3.1
170.11731	2.0
171.10152	7.3
175.03813	1.6
175.07814	2.2
177.05420	35.4
178.05814	5.4
179.04787	18.7
181.04869	1.9
182.09923	2.7
187.05309	3.0
187.14432	2.3
189.03244	7.6
190.04910	2.2
203.07344	13.0
208.06126	2.0
210.09389	10.7
211.07800	5.5
228.10446	20.6
233.05818	12.3
246.11542	7.6
265.15338	2.2
285.12595	3.3
294.68399	1.4
310.90759	1.5
313.12064	10.9
317.06491	1.5
331.13126	74.5
332.13519	2.5
349.14197	12.7
349.17731	1.5
403.15091	15.8
461.16388	1.8
478.18311	9.2
479.17538	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	478.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53720	1.1
55.01805	6.9
55.05438	7.8
56.04967	2.7
56.05817	1.2
56.96492	1.6
57.07025	1.6
58.99519	20.7
60.29471	1.0
64.14429	1.2
67.05424	9.7
69.03358	2.4
70.06496	8.9
71.08553	28.9
72.08072	2.3
74.00573	5.3
76.02142	100.0
76.03915	2.4
79.05408	13.2
81.06960	1.5
83.01281	2.3
83.04880	2.0
83.06008	5.1
84.03945	1.8
84.04430	37.5
85.01038	6.7
85.02816	2.9
86.00568	7.3
86.09647	2.3
86.98964	5.1
88.02138	3.2
91.05397	6.3
93.06986	3.2
95.08513	2.3
96.04427	5.1
97.02825	7.7
99.04381	13.0
99.08017	44.8
102.03666	1.4
105.06985	1.9
107.04887	8.5
107.08540	24.6
109.02840	1.7
109.06425	1.5
111.02602	2.6
111.04383	2.2
114.00067	17.5
116.01647	30.1
116.07044	2.2
116.10699	2.2
117.03326	1.9
117.06964	8.3
119.04905	2.5
120.08051	2.9
124.03883	3.3
125.09541	2.8
126.05475	1.9
129.06581	2.2
130.04967	9.5
135.08038	19.5
138.05515	5.8
141.04843	1.7
142.03204	7.1
143.02719	6.1
144.01115	8.7
145.02829	5.5
146.06021	3.3
147.04413	9.3
149.05934	1.4
153.09087	18.4
157.06799	5.7
162.02165	26.4
162.05472	8.5
170.02698	6.1
170.11732	1.8
171.10126	6.9
175.03824	1.5
175.07906	2.4
177.05429	7.9
179.04832	18.5
182.09901	1.5
187.05360	2.2
189.03285	8.1
203.07265	12.2
210.09421	11.6
211.07819	2.6
228.10518	19.5
233.05905	9.4
246.11537	10.1
285.12625	7.8
313.12097	13.2
331.13147	69.3
332.13785	2.0
349.14197	12.4
403.15372	14.6
415.98050	1.5
478.18649	9.3
478.27206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.35863	1.0
55.05212	1.7
55.05449	23.2
57.03365	11.0
57.07002	1.5
67.05083	1.8
67.05428	45.1
69.06989	25.5
74.44254	1.3
79.05419	12.4
81.06975	43.4
83.08531	13.2
87.95044	1.2
90.42731	1.3
91.05387	8.3
91.55374	1.1
93.06971	12.2
95.08535	31.4
97.10093	5.7
105.06955	5.7
107.08512	2.8
107.36189	1.3
109.10111	10.2
111.08065	1.4
119.08546	3.0
120.87497	1.2
121.10094	2.6
123.11636	2.1
133.10109	2.0
135.11694	1.5
162.68394	1.3
216.74326	1.6
231.59412	1.3
252.05794	1.4
337.27301	100.0
338.27579	6.0
382.31830	1.4
415.42480	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01707	3.6
52.23814	3.4
54.81267	4.3
55.05438	17.4
57.03366	5.8
60.40732	4.2
62.06013	33.6
67.05431	54.1
69.06976	26.4
77.54918	3.9
78.80602	3.6
79.05396	6.9
81.06979	59.1
83.08540	8.3
91.05379	4.4
93.06960	19.6
95.08546	29.9
98.98396	9.8
103.47649	5.1
109.10110	7.2
305.81290	4.8
306.27914	9.6
337.27347	100.0
397.05328	4.8
449.08948	4.7
460.28336	6.1
503.90009	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00532	0.3
54.46000	0.3
54.81855	0.3
55.01801	0.4
55.05232	0.4
55.05453	7.9
57.07004	0.7
57.32701	0.3
60.04424	0.3
62.06011	0.5
67.05421	10.2
67.55710	0.3
69.03322	0.3
69.06992	8.3
69.29576	0.4
79.05388	2.9
81.06976	9.7
82.07317	0.4
83.08528	2.5
85.05226	2.8
86.05962	0.7
91.05397	0.5
92.10265	1.0
92.47046	0.3
93.06954	2.2
95.08522	6.5
97.10093	0.8
98.05984	15.2
99.19496	0.3
105.06959	0.5
106.89365	0.3
107.08497	0.4
109.10077	1.5
110.09643	0.5
112.07560	2.4
126.09075	0.4
136.06146	0.5
154.12273	0.6
156.65828	0.4
158.94229	0.3
168.13795	0.6
182.15334	0.5
196.16966	0.6
208.16895	0.8
210.18658	0.4
211.01115	0.4
222.18419	0.7
306.27847	100.0
307.28085	4.1
324.28897	0.5
437.19083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.03875	0.2
54.48779	0.2
55.01796	0.5
55.05451	7.5
57.07003	0.8
58.85405	0.2
60.29781	0.2
62.06010	0.4
62.79268	0.2
67.05430	8.9
69.06989	7.9
71.63842	0.2
71.82660	0.2
79.05408	2.5
81.06971	8.3
82.06488	0.2
82.78519	0.2
83.08554	2.3
84.04424	0.3
85.05206	2.4
86.05985	0.5
91.05383	1.0
93.06981	2.1
95.08534	5.4
97.10067	0.4
98.05984	13.4
99.06754	0.3
105.03873	0.2
105.06938	0.4
107.08521	0.5
109.10120	1.8
110.09628	0.3
112.07558	1.7
119.08527	0.3
121.10091	0.4
124.07565	0.3
126.09113	0.4
128.16061	0.2
138.09128	0.3
138.25018	0.2
140.10678	0.5
152.10678	0.4
154.12209	0.3
168.13852	0.3
175.22276	0.2
189.79926	0.2
196.16920	0.9
202.92780	0.2
208.17029	1.0
210.18504	0.2
222.18512	0.5
249.45648	0.2
306.27859	100.0
307.28223	3.5
324.28784	0.2
388.74973	0.2
431.14896	0.4
437.19360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44286	0.4
54.48253	0.4
55.05451	1.9
57.07003	5.6
62.06050	0.5
67.05419	2.4
69.06978	3.1
73.79381	0.5
76.56150	0.5
77.15398	0.5
79.05390	3.7
81.06966	6.8
82.07294	0.6
83.08546	1.0
89.45017	0.6
91.05398	2.9
93.06961	3.1
95.08523	4.1
103.05404	0.8
105.06969	38.2
107.08543	3.6
109.10104	3.7
119.08527	8.3
121.06458	6.6
121.10085	2.5
121.57376	0.5
123.11707	0.6
126.20379	0.6
133.06451	100.0
133.10065	3.0
134.06775	0.7
134.10876	0.7
135.08003	3.5
135.11670	2.2
137.09583	9.9
140.89470	0.5
145.10051	0.7
148.11972	0.7
149.09511	1.0
149.13225	3.5
151.06322	0.7
151.07516	15.1
159.11681	0.9
161.09575	2.6
165.09090	2.0
177.12700	38.6
178.12953	0.6
188.06183	0.6
241.12172	42.7
242.12370	0.6
262.79556	0.6
297.18408	37.4
298.18790	1.1
298.48267	0.7
307.52448	0.5
368.08890	0.6
479.34863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76745	1.7
55.05450	22.4
57.07016	8.1
59.17640	1.8
62.08542	1.7
67.05425	38.6
69.06988	35.4
79.05409	25.1
80.30020	2.2
81.06978	100.0
83.08539	9.4
87.27473	2.0
91.05386	15.9
93.06967	50.4
95.07958	4.1
95.08530	81.3
97.10138	3.5
105.06976	35.3
107.08537	44.4
108.08862	2.4
109.10114	31.2
119.08534	28.2
121.10084	37.2
123.11683	9.9
129.84801	2.0
131.08527	3.7
133.10069	12.9
135.11678	13.8
137.13168	4.1
145.10106	9.7
147.11615	18.2
149.13254	26.2
159.11664	14.0
161.13228	16.3
163.14764	3.4
173.13257	8.4
175.14761	3.0
189.16367	3.5
191.17924	3.0
203.17958	4.8
217.19492	11.3
253.98177	2.3
353.57825	2.6
359.93399	2.2
401.33939	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	479.1572
Annotation	Streptonigrone
Peak:m/z	Relative Intensity
54.41074	1.8
57.77216	1.8
69.35542	1.9
75.33270	2.3
82.67569	2.0
84.84167	2.0
91.74994	2.0
95.81129	2.3
127.49597	1.8
136.48206	2.0
145.02921	3.8
314.43271	2.1
479.15698	100.0
480.16156	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	479.1573
Annotation	Pilosidine
Peak:m/z	Relative Intensity
51.63967	1.8
57.07014	1.6
69.03346	7.9
71.25769	1.6
72.08055	1.7
79.05410	8.4
81.03343	4.4
83.04925	2.6
85.02827	15.5
86.09621	2.6
87.00758	9.0
93.06973	7.6
97.02843	3.9
105.01786	4.0
107.08417	2.5
109.02818	3.7
127.03882	2.8
128.44473	1.9
135.11673	9.5
136.12018	1.9
145.04927	2.1
146.53641	1.9
147.04387	2.3
147.30072	1.8
177.05376	1.9
191.04240	2.0
195.13780	7.6
196.14023	1.9
201.07178	1.8
211.61746	1.7
248.48730	2.1
275.32492	2.4
398.97266	1.8
405.40170	2.2
442.99371	2.1
448.37680	1.9
479.15710	100.0
479.29617	16.0
480.16187	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1573
Annotation	Streptonigrone
Peak:m/z	Relative Intensity
50.00418	1.6
52.99626	1.8
55.05439	2.0
57.03374	1.5
65.77225	1.6
69.03344	3.5
69.34933	1.5
70.06503	2.2
74.42719	1.5
81.03343	6.8
81.06981	1.5
83.04903	1.9
84.19823	1.6
85.02824	3.5
86.74717	1.6
88.94081	2.0
91.05409	3.0
93.06971	3.4
95.04860	1.8
95.08517	3.7
97.02820	2.8
102.07204	1.6
107.08530	2.3
109.02839	12.0
116.98544	2.7
119.04942	3.3
127.03854	3.4
135.11688	3.9
136.11964	1.9
145.02766	2.4
146.06021	2.2
147.04420	16.2
149.13327	2.0
159.11612	2.1
177.00676	3.2
177.05521	2.6
177.12634	2.6
189.32401	2.1
195.13918	2.5
300.14288	1.7
361.46057	1.8
385.27664	1.7
412.24850	2.3
479.15677	100.0
479.31589	2.3
479.81174	2.3
480.16187	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	480.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	1.5
53.03876	1.6
55.01789	1.4
57.03371	40.7
59.04935	7.4
60.04456	1.7
61.02852	2.5
65.03867	8.8
69.03349	100.0
73.02831	2.1
75.04397	8.6
76.33759	1.0
81.03324	4.5
83.04922	1.5
84.58924	1.0
85.02824	76.1
87.04391	63.4
93.03339	7.3
97.02821	87.9
99.04396	2.3
103.03934	1.4
109.02821	1.8
110.03598	1.7
111.04383	32.3
115.03874	60.8
121.02846	1.2
125.05950	25.4
127.03890	4.5
133.04933	48.4
145.04935	6.8
150.07603	8.7
151.03879	21.0
169.04924	57.6
215.28450	1.1
241.07010	1.1
259.07684	1.1
333.08295	1.1
399.37433	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00258	1.2
53.03886	1.0
55.01817	1.3
57.03379	33.3
58.34254	1.1
59.04934	8.0
60.04454	2.2
61.02860	1.5
65.03865	8.1
69.03353	100.0
70.28882	0.9
73.02819	2.4
75.04402	8.1
81.03343	4.6
81.71957	1.0
83.04891	1.4
83.14143	1.0
85.02831	72.5
87.04396	59.8
90.40216	1.0
93.03345	5.2
95.04977	1.2
97.02827	71.3
99.04362	2.0
110.03609	2.0
111.04400	30.9
115.03883	62.3
117.44950	1.1
125.05952	24.2
127.03893	7.1
133.04942	49.5
142.13045	1.0
145.04997	4.9
150.07637	7.6
151.03903	16.1
156.57068	1.0
169.04938	57.2
182.69006	1.0
247.06003	1.2
259.08093	1.3
295.10269	1.1
369.20248	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05986	0.9
51.61770	1.0
53.21127	1.1
55.01802	6.1
55.05434	2.8
56.04976	1.4
58.99520	10.3
59.06050	1.4
67.05432	11.9
67.67942	1.2
69.03350	2.0
69.06981	2.6
70.02838	1.4
70.06503	5.5
70.89417	1.2
72.08009	1.7
74.00578	42.3
76.02150	24.6
76.03926	9.4
79.05356	1.1
81.03342	1.7
81.06957	1.9
83.06011	6.4
84.03942	2.4
84.04424	46.9
84.08051	1.7
85.01000	1.4
85.02834	3.8
85.03469	1.7
85.03954	34.9
86.09630	4.7
86.98973	5.7
91.05399	5.5
92.01632	15.8
93.06963	8.3
95.04886	1.3
95.08536	25.5
97.02827	2.0
99.02637	1.3
99.05474	2.5
109.10088	14.9
111.02587	2.1
112.03918	9.2
113.03452	14.4
114.03656	1.5
116.01633	26.3
119.04881	1.9
119.08576	2.8
120.07980	1.4
120.84054	1.4
124.03907	1.4
126.05280	1.2
127.03926	1.2
129.03638	1.6
129.06552	5.7
130.04059	2.2
130.04974	39.9
130.05948	1.8
131.02779	1.3
131.04494	31.9
137.09618	10.7
142.03175	2.3
144.01123	9.3
145.02921	2.3
145.06061	5.0
146.05972	6.2
147.04398	8.7
151.03891	6.6
155.10623	5.7
160.00629	6.2
162.02177	22.8
169.10513	2.0
170.09885	5.2
177.03256	100.0
178.03613	1.3
179.04816	12.0
181.06125	2.3
185.03749	7.3
202.05528	1.5
204.91986	1.4
213.09499	2.2
219.01704	1.3
222.32281	1.2
230.12045	7.7
231.04254	6.6
248.13066	1.9
273.12555	2.1
283.62949	1.2
288.06467	1.9
298.11176	2.2
306.07480	7.0
315.13724	5.3
329.40292	1.2
333.14658	19.8
334.13065	1.7
351.15842	12.0
387.15665	4.7
405.16751	8.3
462.18808	5.0
470.25760	1.7
472.29718	1.4
480.19821	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	480.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20285	0.4
71.73978	0.4
77.78170	0.4
82.89293	0.3
83.04900	0.5
90.43482	0.4
91.05404	16.2
95.04893	8.6
96.71706	0.4
97.54905	0.5
101.05955	1.5
103.05415	0.4
107.04929	0.4
109.06482	0.8
119.04890	30.2
121.06447	0.8
123.04377	56.6
124.04745	0.6
126.59345	0.5
136.06192	6.9
136.07545	100.0
137.05867	0.4
137.07893	2.2
147.04379	18.4
147.42332	0.4
150.05443	1.7
152.05666	0.6
158.51332	0.4
165.05432	56.9
166.05765	0.7
182.08080	44.0
183.08444	0.5
273.96710	0.4
362.24542	0.5
491.17627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20607	0.2
55.01810	0.5
55.05450	6.7
57.07010	1.9
57.65577	0.2
60.04440	0.3
60.84381	0.2
61.20123	0.2
62.06015	0.4
66.02020	0.2
67.05410	1.9
67.86852	0.3
68.89573	0.2
69.03368	0.2
69.06984	7.4
72.04423	0.2
75.95251	0.2
79.05384	1.0
81.06956	1.5
83.08533	3.2
85.05207	1.6
85.10072	0.3
86.05985	0.4
93.06973	1.1
95.08511	1.2
96.07999	0.3
97.10076	1.2
98.05981	10.7
109.10090	0.4
112.07546	1.3
124.93703	0.4
168.92741	0.3
196.21584	0.2
206.10103	0.3
308.29410	100.0
309.29819	2.7
462.34076	0.5
480.21896	0.3
480.35535	0.3
490.27902	0.3
490.35037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21264	0.2
53.00219	0.3
55.01807	0.9
55.05452	8.2
57.07016	2.2
62.06018	0.5
67.05421	3.2
68.01269	0.2
68.09621	0.2
69.06989	7.2
69.58876	0.2
71.08533	1.1
72.04412	0.2
75.85413	0.2
79.05407	1.4
81.06980	3.3
81.79485	0.2
82.06453	0.4
83.08543	3.4
85.05194	0.6
86.05983	1.1
93.06953	1.4
93.38039	0.3
95.08527	1.5
97.06464	0.3
97.10123	1.0
98.05982	11.4
109.10107	0.4
112.07558	1.7
112.99969	1.1
119.43449	0.2
121.10129	0.3
124.93718	0.5
142.94846	0.4
147.21957	0.2
154.12337	0.3
168.13889	0.3
225.36868	0.3
248.57870	0.3
308.29422	100.0
309.29868	3.0
326.30484	0.5
337.27170	1.9
391.16138	0.3
399.53229	0.3
480.21170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.4
55.05459	3.1
56.04977	0.8
57.03370	0.8
57.07005	0.3
58.06532	1.4
60.08095	24.9
63.04052	0.3
63.86341	0.3
67.05419	2.4
69.06985	3.2
70.06506	0.4
71.07288	7.1
79.05397	2.3
81.06978	2.1
83.08538	1.8
86.09628	74.4
93.06981	2.6
95.08537	1.4
97.06456	2.1
97.10077	0.9
98.98402	5.4
101.56062	0.4
103.80022	0.3
104.10680	99.2
107.08537	1.6
109.10159	0.4
119.08492	0.4
121.10082	2.1
123.11653	0.5
124.99963	41.7
129.05396	0.6
135.11668	0.8
143.01093	0.7
147.26976	0.4
163.01523	0.7
168.69235	0.4
181.02554	0.8
184.07303	100.0
185.07657	0.5
210.61670	0.4
258.11035	0.7
329.87909	0.4
356.41351	0.5
462.29828	6.1
480.30774	31.0
481.30917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
52.34669	0.2
52.84300	0.2
55.01802	0.6
55.05190	0.3
55.05449	8.0
56.04940	0.3
56.08021	0.2
57.03367	0.5
57.07015	2.3
60.60439	0.3
60.83793	0.3
62.06013	0.6
67.05427	2.6
69.06651	0.5
69.06988	7.0
71.08518	0.5
72.04428	0.3
79.05407	0.5
81.06970	3.3
83.08539	3.1
85.05217	0.4
85.10114	0.3
86.05981	0.7
91.05363	0.4
93.06949	1.5
95.08523	2.5
96.08085	0.5
97.10110	0.7
98.05990	11.5
100.64377	0.3
105.68936	0.3
107.08557	0.5
109.10112	1.2
112.07575	2.2
112.99953	1.5
119.08485	0.4
121.10079	0.4
124.93698	0.6
129.69824	0.3
130.58243	0.3
140.10654	0.3
172.95441	0.3
279.06381	0.3
308.29425	100.0
309.29736	4.0
337.27393	1.5
437.41019	0.4
475.02853	0.4
480.21896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
54.81576	1.3
55.01790	1.5
55.05214	2.6
55.05455	35.8
55.32708	1.3
57.03375	18.4
57.07024	14.1
57.21527	1.2
67.05428	23.0
69.06982	44.1
70.93292	1.6
71.04903	2.3
71.08545	7.4
79.05415	13.3
81.06974	26.3
83.08534	31.1
85.10092	1.6
93.06968	16.6
94.33481	2.1
95.08545	23.4
97.06450	3.8
97.10103	12.1
103.89846	1.7
107.08535	10.0
109.10088	8.2
111.08018	1.9
121.10124	8.7
123.11686	3.0
135.11699	6.3
149.13261	2.7
265.25369	1.9
308.29471	6.8
339.28909	100.0
340.28925	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05453	30.9
57.03370	9.7
57.07014	4.1
59.78416	2.2
60.66411	2.0
62.06009	19.0
67.05421	16.6
69.06989	31.8
71.08515	2.6
79.05412	10.2
81.06970	14.4
83.08530	24.1
83.30842	2.1
85.10107	3.3
90.18661	2.6
90.67844	2.1
93.06970	10.8
95.08537	15.5
97.06454	2.5
97.10103	8.8
98.98405	13.7
107.08543	9.3
109.10109	3.9
121.10125	4.4
135.11621	5.0
155.01030	3.1
163.94347	2.3
180.42564	2.6
193.21582	2.2
265.25162	4.7
308.29416	18.4
339.28873	100.0
340.29153	3.1
367.39182	2.5
419.25409	3.9
462.29620	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80358	0.5
51.91898	0.4
55.05457	0.6
64.33070	0.5
80.29915	0.5
89.03835	15.1
91.05384	1.2
96.81032	0.5
103.05408	0.7
117.03326	45.3
118.03664	0.6
134.03595	3.2
135.04378	4.7
143.41544	0.6
145.02820	99.3
146.03194	1.0
146.84763	0.5
149.05948	17.3
158.05997	0.7
161.05971	1.1
177.05429	100.0
178.05806	1.0
182.15387	0.7
183.01544	0.7
186.05489	2.7
189.05264	0.6
211.14980	0.7
217.04962	1.0
218.08073	2.7
225.56067	0.6
246.07585	0.8
288.12207	3.6
305.14886	8.0
481.19336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	7.5
57.07006	2.1
65.89372	0.8
67.05404	1.2
69.06976	1.1
70.06469	0.9
71.08544	3.6
72.08073	45.9
74.05981	1.6
81.06981	1.0
85.10116	0.9
89.05936	4.9
97.10059	1.1
98.06173	1.0
116.07039	1.3
118.16194	0.9
120.06573	1.3
121.10007	1.0
123.49645	1.0
127.29008	1.0
214.86865	1.0
317.24377	4.7
318.24649	1.6
334.30896	1.8
393.68130	1.2
481.32611	100.0
482.33383	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	481.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46556	0.5
62.01896	0.6
65.29874	0.6
79.07474	0.6
79.36989	0.7
89.05944	7.5
103.87059	0.7
107.08527	0.7
107.31745	0.6
116.41103	0.6
133.08582	1.3
134.82663	0.6
145.80673	0.7
188.37027	0.6
283.17581	1.6
299.74612	0.8
364.26022	0.7
463.35471	0.8
481.36441	100.0
482.36777	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	481.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41319	0.5
58.50945	0.4
60.18911	0.6
83.63551	0.6
89.05933	2.0
90.78178	0.6
105.54919	0.5
127.03782	0.7
137.07111	0.5
137.89958	0.6
257.26721	0.6
283.17307	0.7
332.18823	0.6
389.28699	0.7
481.36450	100.0
482.37274	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	482.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63779	0.4
56.96505	0.7
57.48703	0.4
69.03327	0.7
70.06510	2.0
81.03332	0.6
84.04394	0.6
84.08096	0.6
85.02816	1.9
91.05408	9.1
95.04900	0.6
97.02828	0.8
98.97551	0.7
103.05373	1.9
110.07128	0.5
116.98559	0.5
119.04896	25.8
119.05756	0.9
120.05220	0.7
122.03529	1.5
130.06488	3.4
131.04924	5.6
134.99614	0.7
136.05150	2.9
137.05951	100.0
138.06337	0.7
147.04372	0.5
151.07520	33.7
162.05460	1.7
163.07524	0.8
181.08554	39.9
231.89423	0.5
237.02824	0.7
238.03802	1.8
249.15645	1.0
250.03853	1.0
250.98605	0.5
252.05379	2.1
276.05225	0.8
301.14386	0.6
378.08710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	0.9
58.47389	0.8
60.28817	0.9
66.63635	0.9
69.03349	2.1
70.06515	20.1
72.07664	1.6
72.08068	48.3
81.03315	1.6
85.02821	1.7
86.09644	4.0
89.03823	7.7
91.05403	8.1
97.02827	1.8
98.05978	5.5
107.04921	0.9
109.02835	1.7
110.07098	14.3
117.03319	30.0
119.04887	21.6
120.08109	1.1
121.02839	1.9
126.12755	11.1
130.06445	1.3
134.05933	1.1
135.04385	2.2
139.55798	1.0
143.15417	2.4
145.02823	86.2
146.06004	12.5
147.04388	84.1
148.04634	0.9
149.05971	11.2
156.07642	1.4
159.16159	1.1
159.21658	1.2
162.05490	12.2
163.03897	1.4
166.93497	1.2
169.13351	2.2
177.05432	100.0
178.05760	1.7
195.11139	1.3
218.11725	10.9
235.14326	2.0
236.02467	1.1
248.12753	6.1
266.03348	1.4
271.02917	1.3
279.17020	1.3
288.20728	1.4
289.19012	9.6
306.21646	18.7
319.20142	3.8
336.22809	9.9
397.10730	1.2
438.81381	1.1
482.26434	44.7
482.65002	1.3
503.40707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56034	0.4
56.04975	0.6
57.03373	0.9
57.07011	5.0
58.06533	0.9
60.08096	20.4
64.33352	0.4
67.05425	0.9
69.06987	0.7
71.07288	7.2
71.08537	3.8
74.75558	0.4
79.35918	0.5
81.06968	2.1
83.08530	0.8
85.10089	0.9
86.09625	72.4
92.10872	0.8
95.08527	2.1
97.10069	0.5
98.98403	5.6
104.10676	97.5
105.10997	0.6
109.10098	1.0
123.11636	0.5
124.99959	43.4
143.01054	0.4
184.07301	100.0
185.07654	0.8
249.68639	0.5
280.24454	0.5
299.25778	2.2
319.21829	0.5
405.23700	0.5
464.31436	6.5
482.32330	32.9
483.32639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37437	2.2
50.99045	2.0
55.05451	21.2
57.03365	14.8
57.07010	13.8
58.56141	2.2
61.12850	2.4
67.05430	18.7
69.06988	32.6
71.08539	3.5
79.05391	4.7
79.44215	2.3
81.06973	16.0
83.08530	20.9
84.08065	10.3
89.05949	4.8
93.06976	13.9
95.08521	11.2
97.10104	11.0
107.08529	4.0
109.10123	3.3
112.99967	100.0
121.10124	5.3
126.09066	2.7
135.11633	4.5
169.02544	50.1
192.84314	2.6
265.25336	3.2
283.17270	2.9
339.28870	84.3
388.34167	3.0
433.26877	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	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	1.8
55.05441	10.3
57.03367	7.3
57.07012	100.0
59.04916	1.6
62.06014	18.3
67.05419	3.6
69.06985	14.0
69.74309	1.4
71.08546	79.6
73.06418	2.1
73.89038	1.6
80.05272	1.5
81.06956	10.9
83.08538	6.5
85.10101	29.2
87.04395	1.8
89.05949	97.0
93.06974	2.1
95.08539	13.7
97.10075	7.4
98.98387	9.8
99.11673	3.3
107.07037	3.1
109.10069	3.0
111.11630	1.7
119.34902	1.5
133.08548	30.6
146.05908	1.9
155.00995	3.5
177.11186	14.1
187.25214	1.6
249.17447	1.7
271.26166	2.1
283.17435	28.2
310.30981	12.1
341.30429	78.6
342.30954	2.8
353.30307	3.8
385.92349	1.8
421.27106	2.3
464.30991	2.0
465.37857	43.0
481.36295	9.7
482.36887	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85849	0.5
55.05456	7.4
56.04955	0.6
57.03370	4.3
57.05746	0.6
57.07011	8.3
60.46394	0.5
67.05440	6.7
67.38422	0.5
69.06988	9.5
70.06498	3.4
71.08531	3.9
71.49281	0.5
72.08073	100.0
76.64718	0.6
79.05402	1.4
81.06975	6.3
83.08547	4.9
85.10090	1.4
89.05946	1.3
90.09120	2.5
93.06973	2.5
95.08541	7.9
97.10101	3.2
99.63287	0.7
107.08554	1.1
109.10099	4.0
111.08003	0.7
111.11688	0.9
112.99973	10.8
119.08499	0.7
121.10097	3.3
133.08556	0.6
135.11649	0.9
135.75706	0.7
169.02596	2.9
170.05728	2.4
313.27319	15.8
339.28909	24.1
340.28989	2.4
435.31363	0.6
464.30942	2.5
482.32294	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	482.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30781	0.9
51.24662	0.8
55.05421	0.9
57.06736	2.2
57.07009	54.4
59.88419	1.0
69.06992	3.9
71.08546	41.9
73.06474	1.5
85.10098	20.3
87.04401	2.0
89.05946	100.0
107.07001	4.6
109.62643	1.1
121.67225	1.1
133.08560	33.9
144.66469	1.1
176.79488	1.0
177.11205	10.5
183.21048	1.9
195.12198	1.5
239.14780	2.5
241.62862	1.0
283.17441	46.0
284.18130	1.2
444.48672	1.2
465.37704	18.6
482.36728	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	483.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91651	1.3
56.96487	3.1
74.02333	1.4
81.03313	1.3
92.63970	1.4
98.97516	7.6
109.02769	1.4
116.98558	7.5
117.05647	1.3
117.06980	1.7
118.06482	28.8
128.18672	1.3
130.06471	5.3
132.08032	11.8
134.99585	5.1
142.06441	1.6
143.07271	2.2
144.08051	18.9
146.05984	94.2
147.06274	2.2
159.09111	20.2
162.05516	1.5
170.05975	8.2
175.15694	1.2
177.00667	2.8
188.07019	100.0
205.09656	21.8
215.05780	2.2
237.02792	7.8
250.21655	1.5
257.06784	1.3
261.05392	2.1
279.06558	2.3
335.10223	1.4
381.10248	4.5
406.83957	1.5
483.14444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26146	1.7
54.11854	1.6
61.50257	1.7
69.31516	2.3
74.66238	2.0
84.19434	1.8
89.05957	23.6
95.08552	2.2
110.55785	2.0
120.08092	24.2
128.39491	2.1
129.95341	1.9
133.08556	4.7
173.10327	2.3
180.43002	2.5
251.01741	2.0
283.17444	9.0
285.27136	2.4
410.30682	2.3
445.73566	2.7
453.36749	11.5
473.51868	2.1
482.36847	3.3
483.34470	100.0
484.34680	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	483.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35727	2.9
57.07046	2.9
59.06059	5.7
66.23674	3.3
67.20033	3.0
67.51133	3.5
72.32210	2.9
79.21909	2.8
81.06970	7.6
89.05956	100.0
92.69476	3.1
95.08529	7.7
107.99983	3.3
110.54445	3.4
117.22478	3.4
127.24813	3.6
133.08585	20.1
133.97557	3.5
183.04041	3.4
261.40378	3.5
274.21759	3.6
277.37555	3.3
283.17657	31.1
284.17804	4.2
289.49548	3.4
423.32254	82.7
483.34399	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29087	0.7
89.05952	16.1
92.10293	1.9
92.37557	1.0
96.05915	1.0
97.80807	0.9
133.08559	4.6
179.97470	0.9
283.14761	1.2
283.17313	7.9
284.17758	1.9
482.36819	1.4
483.38007	100.0
484.38242	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	484.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08549	2.1
55.01806	3.4
56.04966	4.7
56.96497	3.8
57.03339	2.4
60.04440	3.5
66.47131	2.1
67.36729	2.2
69.03342	4.0
70.02867	41.6
70.06492	12.8
72.08073	22.1
73.02819	3.4
74.02351	5.9
76.03892	11.4
84.04424	45.8
84.08090	9.8
85.02842	10.0
87.04395	2.8
88.03913	10.7
96.04418	2.6
97.02802	4.7
98.05974	4.4
98.97530	3.3
99.05486	12.4
106.31039	3.0
109.02798	2.7
109.07560	3.4
116.03336	3.7
116.98552	5.5
126.05463	3.7
127.08566	2.9
130.04968	6.7
134.99637	3.8
137.00542	2.9
145.04942	4.8
145.06058	100.0
146.05969	3.6
147.04428	4.1
149.00546	13.4
162.05435	28.8
165.00031	11.4
169.06068	2.9
172.03865	3.9
173.09131	3.3
189.02306	3.4
190.03140	11.7
190.04771	3.3
192.99512	15.0
199.07222	4.2
206.02510	3.0
208.06044	3.0
218.02623	3.5
226.37535	2.7
236.03801	3.7
293.07980	3.6
367.19482	3.3
395.16147	3.3
466.23245	5.3
484.16342	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	1.8
56.04965	0.7
58.06531	3.4
60.13311	0.6
65.03855	1.1
69.03367	1.4
69.06988	0.8
70.06506	7.1
72.08071	100.0
76.11445	0.7
81.03368	1.0
82.06490	0.8
84.04445	1.0
84.08068	12.9
85.02834	3.0
86.09631	1.4
87.39251	0.8
88.72362	0.8
89.03883	1.1
91.05420	8.8
91.88842	0.9
95.04885	0.8
97.02842	4.9
98.05979	0.9
98.09618	0.8
100.11156	1.7
107.04922	3.3
109.02863	1.2
110.07121	1.0
110.09634	3.6
111.09164	1.0
112.11185	10.0
113.07086	4.6
115.03922	1.0
117.03323	2.9
119.04911	20.4
121.02827	8.0
127.08630	1.3
129.13846	1.6
131.04875	1.3
133.02846	1.2
134.05974	1.0
137.05997	6.0
138.05484	1.1
139.08630	1.3
140.07034	3.1
141.10242	1.5
145.02829	6.4
146.03207	1.0
146.05986	15.3
147.04391	53.4
148.04707	1.5
151.03886	1.7
152.06955	0.8
155.11763	12.2
161.94379	0.9
162.05406	8.3
163.03876	1.7
167.08163	1.2
169.06509	3.3
174.05475	1.2
177.05443	7.3
182.15326	0.8
188.07074	1.6
196.05214	3.9
197.05913	5.0
201.05379	1.3
204.10199	4.2
206.11739	1.5
207.08087	4.2
209.12897	1.7
216.06561	1.3
218.08054	1.4
228.31036	0.8
229.08559	47.4
235.07568	1.5
239.13803	1.9
243.11299	1.0
244.09633	3.9
246.07593	1.3
250.06337	1.0
252.07646	1.5
256.16663	1.1
261.12241	0.9
267.10052	1.9
274.10645	3.9
282.02908	0.9
291.13425	1.1
293.08051	8.9
306.18134	3.5
316.60611	0.9
350.13870	0.8
362.20667	1.3
378.13190	1.2
395.15878	7.0
396.13947	1.1
413.16840	3.7
449.20554	3.0
452.21588	3.9
455.82361	0.9
466.23370	16.3
467.21716	17.8
484.24353	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50690	0.3
58.06527	1.0
63.02286	0.4
69.03326	0.4
70.06494	0.5
72.08070	32.7
75.09144	1.9
79.05381	0.5
80.21278	0.4
81.03334	0.4
82.41982	0.4
84.08050	1.0
85.02813	1.0
87.04360	0.7
89.03838	10.0
91.05389	0.7
97.02820	0.9
97.74041	0.4
101.07075	0.4
104.37632	0.4
106.04105	0.6
107.04888	0.8
112.11192	4.0
115.03873	0.4
117.03328	34.9
118.03644	1.8
119.04847	0.7
121.95794	0.4
129.13846	3.3
134.03560	1.0
134.05998	0.5
135.04378	9.8
139.90228	0.4
144.04430	3.4
145.02824	100.0
146.03142	2.2
146.16472	0.9
147.04378	0.9
149.05956	12.2
151.03941	0.4
155.11737	1.9
162.05458	8.1
163.03867	77.9
164.04184	1.0
177.05431	86.8
178.05856	3.4
179.05983	0.6
186.05447	0.9
206.11731	0.6
208.06085	0.6
219.11282	4.3
220.09654	58.2
221.09901	0.8
234.11220	7.7
237.12254	2.7
248.12755	2.9
251.13809	0.9
290.18491	3.6
291.16922	5.4
305.18521	3.0
308.19635	22.8
309.20047	0.7
322.21152	9.8
322.24658	0.6
351.70862	0.5
467.21655	1.9
470.08023	0.5
484.24338	49.5
485.24588	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	484.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	5.9
54.81131	2.6
55.05452	30.5
57.07018	21.9
61.23908	2.6
63.67415	2.5
65.03874	3.1
67.05432	85.1
69.03329	3.9
69.06991	31.4
71.04893	5.0
71.08542	23.0
79.05407	37.6
81.03339	40.0
81.06977	56.9
83.04893	11.7
83.08559	3.6
85.10104	3.4
89.05925	13.6
91.05381	24.5
93.06985	53.5
95.04910	28.6
95.08533	57.2
97.10094	7.4
99.07992	4.8
103.34831	3.0
105.06982	17.6
107.08533	20.6
109.06465	6.8
109.10117	37.8
113.09544	2.8
117.06943	4.8
119.08525	15.1
121.10088	24.5
123.11689	5.9
131.08522	4.3
133.10088	7.3
135.11679	6.5
137.09599	24.6
139.11151	3.5
145.10187	3.8
147.11673	5.6
147.49754	3.0
151.11142	19.3
171.11725	3.3
240.39166	3.3
248.80731	3.4
249.22084	4.4
277.21573	85.1
278.21744	2.9
279.23029	5.8
295.22595	100.0
383.58972	3.1
485.30441	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	485.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11303	1.5
54.42793	1.2
55.05455	1.6
56.04955	1.9
56.96500	100.0
57.03362	3.5
58.80133	1.2
67.05441	1.9
68.46090	1.4
69.03337	2.6
70.06496	8.1
71.04919	1.7
72.08064	6.9
74.97514	1.7
79.05417	1.7
81.03330	2.0
84.04432	1.9
84.08058	3.3
84.95946	24.5
85.02818	3.3
86.09631	1.8
87.04369	2.9
91.05402	25.0
97.02814	4.0
98.97514	25.5
102.96996	7.8
110.07124	2.3
110.97524	3.0
112.99059	9.4
116.98567	37.4
117.03309	3.0
119.04872	2.4
124.04004	1.9
128.98546	9.5
131.00140	33.3
134.99629	22.6
143.00159	3.1
144.98036	6.0
145.02818	9.3
146.99623	8.6
147.04395	8.1
149.01196	53.7
150.05421	2.3
150.97021	2.1
153.00642	2.5
158.99609	6.8
161.01154	15.0
162.05464	31.7
162.99089	10.9
163.03871	6.8
163.05783	6.9
167.02246	8.8
168.98053	11.1
169.01689	9.3
170.99617	2.1
173.01137	14.0
177.00673	8.6
177.02042	1.7
177.05438	13.1
181.00175	2.0
186.99095	63.0
187.02722	18.7
187.61180	1.6
189.00684	9.1
190.04945	2.1
191.02237	22.5
195.03194	1.9
197.01157	2.9
201.00636	8.7
205.00179	41.4
205.03868	3.0
207.06696	3.0
208.06041	6.8
210.14940	1.9
211.02731	21.1
214.98680	3.0
219.01694	40.2
220.09602	2.6
221.04890	2.7
225.00729	2.4
227.02205	7.1
229.03781	63.8
235.02826	2.2
237.02647	17.9
243.01717	10.9
245.03186	2.7
247.04738	2.0
249.04355	9.0
253.03668	2.1
261.02740	8.4
267.05319	7.8
271.01208	2.7
271.04935	2.0
277.03735	2.0
287.02057	2.2
289.02765	1.6
295.04727	2.3
305.03180	7.3
319.04858	28.1
322.21289	2.2
327.05109	2.7
331.13425	1.8
337.05850	30.0
343.04733	2.5
345.06329	7.0
361.05859	11.7
371.04071	2.1
379.06943	1.7
389.05276	21.1
407.06387	19.0
425.07443	31.5
490.02255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81897	3.5
66.24309	3.2
69.03374	4.0
69.35267	3.2
70.06504	8.8
84.04449	4.0
85.02831	5.5
98.97531	7.5
100.11181	6.3
113.03410	4.2
116.06997	4.6
162.05608	3.6
317.08392	14.5
410.80914	3.4
412.39026	4.0
485.12552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64660	3.9
59.61824	3.7
62.15782	3.8
64.33096	4.6
69.03378	3.9
69.73096	3.7
70.06509	22.9
73.38881	4.1
76.55939	3.9
83.24626	4.2
84.04425	6.5
85.02805	7.8
90.60950	4.6
95.65170	4.5
113.03447	5.9
116.07061	9.4
127.03883	5.8
130.04999	6.2
134.99512	5.7
137.58806	4.6
148.58260	4.6
160.17686	4.8
162.05473	9.0
215.38737	4.4
222.45036	4.3
317.08331	9.2
361.70294	5.6
485.12595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02354	0.2
51.43402	0.2
53.03875	0.5
53.72688	0.2
54.81669	0.2
56.25179	0.2
60.32532	0.2
65.03851	0.6
67.01788	5.4
67.05419	0.3
71.04900	0.5
73.53573	0.2
79.05379	0.3
81.03319	2.0
81.06982	0.2
85.02803	0.3
89.03852	1.9
91.05407	10.6
92.10323	0.4
95.04861	0.4
95.08497	0.4
97.02799	0.4
98.98414	0.3
99.04376	1.5
106.46009	0.2
109.02837	4.6
109.10158	0.3
117.03321	6.1
119.04894	29.8
120.05218	0.3
127.03876	9.0
134.03583	0.3
135.04384	1.2
145.02832	15.8
145.03972	0.6
146.03188	0.4
147.04391	100.0
148.04697	2.6
149.05954	2.1
163.03819	0.4
177.05437	18.0
178.05811	0.5
197.00511	0.2
206.44188	0.2
255.06528	0.6
273.07504	5.7
274.59610	0.3
303.08557	1.0
450.58063	0.2
468.58649	0.3
478.81253	0.3
485.15463	0.3
485.27475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81194	1.5
55.05458	1.3
56.96503	21.5
57.07022	1.3
67.05442	1.1
69.46116	1.0
71.95168	1.1
74.97520	1.4
76.85113	1.1
80.60941	1.4
81.06998	1.4
83.26379	1.1
84.00645	1.2
84.04437	4.1
102.92565	1.4
114.36562	1.1
128.98599	1.9
131.92108	1.2
134.99641	1.2
136.93060	2.3
146.99646	5.7
154.94174	12.1
168.95700	10.0
172.95187	39.6
172.96545	2.0
186.96761	80.8
189.04437	1.4
190.96266	34.7
203.05936	1.3
204.97826	100.0
208.97363	1.2
209.98433	2.7
210.96680	2.4
222.98796	1.7
224.98349	2.1
226.99948	1.9
227.99486	2.5
228.97816	12.3
242.99312	10.5
245.01036	4.9
245.10617	1.2
246.98706	1.5
261.00729	1.2
317.17844	62.6
318.18314	1.9
333.17554	1.7
335.18851	31.5
336.19363	2.2
358.20349	5.2
362.82874	1.2
373.20245	1.6
397.14203	1.4
411.15930	4.9
420.97836	1.4
425.17676	1.2
453.17172	10.7
467.18445	1.7
471.18073	30.1
472.18921	1.6
485.19772	24.2
494.19357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	0.4
55.05448	6.1
57.03138	0.6
57.03374	10.3
57.07014	50.6
67.05125	0.6
67.05429	8.1
69.06984	6.9
71.08549	29.1
72.40195	0.5
75.04380	0.9
81.06977	9.6
83.08546	7.8
83.73668	0.5
85.10107	14.2
88.16454	0.5
89.05936	1.0
95.08531	16.3
97.10099	4.9
98.98399	45.5
109.10095	7.0
116.99448	0.9
123.11660	2.4
137.83521	0.5
155.01010	15.4
173.02028	2.4
239.23508	1.2
257.24826	1.0
304.41797	0.7
313.27316	100.0
314.27686	4.6
348.30563	0.5
393.23862	2.1
449.26645	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	485.287
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.06569	0.7
51.25815	0.8
55.05453	8.4
57.03373	21.6
57.07012	61.3
58.31557	0.7
59.16520	0.7
67.05429	8.1
69.06992	9.7
71.08546	38.1
74.47583	0.8
75.04422	0.9
78.90649	0.7
79.05421	1.0
81.06971	15.3
83.08549	12.3
85.10101	18.9
89.05933	1.4
92.10867	1.7
93.06934	0.8
95.08538	19.2
97.10118	4.2
98.98390	7.4
103.07580	1.2
107.08562	1.1
109.10094	8.8
123.11680	1.5
133.09836	0.9
239.23759	1.2
257.24750	4.1
313.27307	100.0
314.27591	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	485.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	0.9
55.05447	6.4
57.03135	0.7
57.03372	11.1
57.07013	56.7
67.05422	8.6
69.06983	8.1
71.08546	36.7
79.05411	0.6
81.06964	11.5
83.08536	8.9
85.10104	14.4
89.05919	0.8
92.64999	0.7
94.68176	0.6
95.08533	17.8
97.10096	3.7
98.98396	47.4
103.07527	0.9
109.10107	7.3
116.99460	1.3
121.10136	1.0
123.11653	2.5
141.37135	0.7
143.99214	0.6
153.58345	0.6
155.00999	18.4
161.55269	0.6
173.02113	3.1
185.22998	0.6
189.08853	0.7
199.14659	0.6
210.57207	0.7
229.04745	0.8
239.23521	2.6
247.05452	0.6
305.50372	0.8
313.27301	100.0
314.27640	3.8
326.38333	0.7
355.84958	0.7
393.23859	1.3
404.35577	0.7
449.26541	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.5
53.03870	0.6
54.36382	0.4
54.82074	0.5
55.01796	1.8
55.05449	5.0
57.03133	0.4
57.03367	4.3
57.07007	8.9
58.78843	0.4
61.02842	0.5
65.03849	0.5
67.05411	2.3
69.03336	3.1
69.06987	3.4
71.01275	0.5
71.04900	0.7
71.08502	0.6
73.02816	2.2
79.05411	6.1
81.03319	0.6
81.06972	5.3
83.04885	1.8
83.08546	0.9
85.02831	3.8
85.06468	5.7
86.09621	2.2
91.05402	72.0
92.05741	0.5
93.06965	3.0
95.04870	1.0
95.08524	0.9
97.02857	0.5
99.04350	0.6
99.08023	0.6
104.06169	3.8
105.06976	13.7
107.08514	0.8
109.06464	2.4
111.08006	4.3
117.06940	0.8
123.08031	0.6
125.09587	0.7
127.07520	4.7
129.06682	0.4
129.09032	0.7
131.08594	0.6
133.10089	100.0
134.10454	2.2
137.64368	0.4
147.08014	4.5
149.09601	11.4
153.09042	2.7
171.10092	3.7
189.11192	3.0
280.11331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14581	2.4
53.94151	2.5
57.57475	2.5
58.25356	2.7
62.56386	2.6
68.15719	2.7
76.99221	2.8
89.05840	3.3
91.76904	2.6
92.10305	4.3
92.63185	3.7
109.57961	2.7
485.35886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.9
53.54297	0.2
55.01817	0.2
55.05446	0.3
56.04972	1.8
56.96500	2.0
57.03366	0.5
60.04450	1.1
61.01068	0.2
61.02858	0.4
61.15412	0.2
62.10446	0.2
69.03357	2.2
69.06979	0.3
70.06514	2.7
71.04890	0.3
72.08062	1.2
72.83141	0.2
73.02807	0.3
74.05994	0.9
79.05427	0.2
81.03336	3.0
84.04430	3.5
84.08087	2.5
84.95956	0.3
85.02818	4.6
86.09637	1.7
88.03939	0.3
89.03816	0.3
91.05413	0.4
97.02810	3.5
98.05960	0.4
98.09608	1.5
98.97501	0.3
99.04372	1.2
100.11186	0.4
101.07070	0.4
102.05485	1.0
104.05270	0.4
107.04828	0.3
109.02831	3.7
111.04373	0.3
112.08685	0.3
116.04945	0.6
116.98561	0.9
117.03309	0.5
117.06963	0.3
119.04877	0.5
127.03895	2.4
128.07056	0.4
129.10205	1.0
130.06493	1.7
131.00171	0.3
134.05971	2.7
134.99548	0.3
136.07535	0.2
143.07272	1.3
144.04393	1.9
144.08078	8.6
145.02866	1.8
145.04941	1.4
146.05974	0.4
147.04399	1.4
148.03903	1.3
149.01221	1.0
150.05447	0.4
153.99101	0.3
156.08080	0.5
157.09750	0.5
158.09596	3.5
161.01140	0.3
162.05472	100.0
162.09058	2.7
163.03873	1.3
163.05795	1.8
168.08009	0.3
172.07574	0.3
177.05435	1.4
182.15393	1.1
184.07454	0.4
186.09126	2.1
186.99138	0.5
187.99350	0.4
190.04953	10.3
204.10193	1.6
205.00116	0.3
207.06464	0.2
208.06010	7.9
210.14827	1.5
219.01935	0.3
220.09715	0.3
229.03809	0.8
237.02710	0.3
270.07599	0.9
288.12198	0.5
306.13321	1.0
316.08069	0.9
320.05136	0.3
334.09045	2.4
350.20816	0.2
352.10287	0.4
354.23624	0.3
408.06305	0.3
426.07462	0.3
451.32562	1.5
485.24496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.9
53.54297	0.2
55.01817	0.2
55.05446	0.3
56.04972	1.8
56.96500	2.0
57.03366	0.5
60.04450	1.1
61.01068	0.2
61.02858	0.4
61.15412	0.2
62.10446	0.2
69.03357	2.2
69.06979	0.3
70.06514	2.7
71.04890	0.3
72.08062	1.2
72.83141	0.2
73.02807	0.3
74.05994	0.9
79.05427	0.2
81.03336	3.0
84.04430	3.5
84.08087	2.5
84.95956	0.3
85.02818	4.6
86.09637	1.7
88.03939	0.3
89.03816	0.3
91.05413	0.4
97.02810	3.5
98.05960	0.4
98.09608	1.5
98.97501	0.3
99.04372	1.2
100.11186	0.4
101.07070	0.4
102.05485	1.0
104.05270	0.4
107.04828	0.3
109.02831	3.7
111.04373	0.3
112.08685	0.3
116.04945	0.6
116.98561	0.9
117.03309	0.5
117.06963	0.3
119.04877	0.5
127.03895	2.4
128.07056	0.4
129.10205	1.0
130.06493	1.7
131.00171	0.3
134.05971	2.7
134.99548	0.3
136.07535	0.2
143.07272	1.3
144.04393	1.9
144.08078	8.6
145.02866	1.8
145.04941	1.4
146.05974	0.4
147.04399	1.4
148.03903	1.3
149.01221	1.0
150.05447	0.4
153.99101	0.3
156.08080	0.5
157.09750	0.5
158.09596	3.5
161.01140	0.3
162.05472	100.0
162.09058	2.7
163.03873	1.3
163.05795	1.8
168.08009	0.3
172.07574	0.3
177.05435	1.4
182.15393	1.1
184.07454	0.4
186.09126	2.1
186.99138	0.5
187.99350	0.4
190.04953	10.3
204.10193	1.6
205.00116	0.3
207.06464	0.2
208.06010	7.9
210.14827	1.5
219.01935	0.3
220.09715	0.3
229.03809	0.8
237.02710	0.3
270.07599	0.9
288.12198	0.5
306.13321	1.0
316.08069	0.9
320.05136	0.3
334.09045	2.4
350.20816	0.2
352.10287	0.4
354.23624	0.3
408.06305	0.3
426.07462	0.3
451.32562	1.5
485.24496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	7.7
57.03365	2.8
61.02873	1.7
62.96450	1.2
67.05423	9.5
69.03362	2.3
69.06984	9.5
70.06500	3.2
71.04906	2.0
72.08060	5.3
79.05415	14.1
81.03344	6.2
81.06958	10.6
83.04910	2.2
84.08055	2.5
84.37878	1.4
85.02825	11.7
86.09629	100.0
91.05410	39.3
93.06959	14.0
95.04898	6.5
95.08527	3.1
97.02808	7.1
105.06979	54.4
105.07663	2.8
107.04902	6.2
107.08546	5.4
109.02835	6.4
109.06490	11.9
117.03366	2.2
117.06966	5.6
119.04910	2.9
119.08537	15.2
121.10104	2.2
124.03938	9.8
127.03891	6.6
129.06943	6.8
131.08524	30.3
132.10184	25.0
133.06496	2.0
133.10091	59.8
145.02824	7.5
146.05978	45.3
147.04420	9.4
147.08086	2.3
147.11673	25.6
149.09563	6.3
151.07559	7.6
151.11134	12.8
151.29866	1.4
157.10069	2.8
162.05470	32.7
163.03891	5.3
163.05710	2.1
174.05463	3.5
175.11099	14.8
177.05464	5.7
192.06595	2.8
193.12218	9.9
260.20016	7.6
266.03183	1.6
278.21149	3.6
299.43463	1.5
306.20697	17.0
324.21698	21.8
333.15161	2.9
337.05573	1.8
407.42636	1.7
487.12033	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06983	0.5
53.03880	1.1
55.05442	0.9
57.03355	1.0
61.02864	1.0
67.01791	0.8
67.05424	2.6
69.03350	4.0
69.06988	3.5
70.06496	2.6
71.04899	1.1
72.08055	2.8
73.02834	0.5
79.05404	2.8
81.03328	4.4
81.06968	3.0
83.04904	1.1
85.02825	7.5
86.09624	25.0
87.09969	1.6
89.03828	1.4
91.05414	11.1
93.06960	3.2
95.04865	0.9
95.08537	0.9
97.02837	5.2
99.04377	1.2
105.06976	15.5
105.57584	0.6
106.07304	2.9
107.04913	1.0
107.08551	1.5
109.02832	5.2
109.06461	3.4
117.03362	1.3
119.04852	1.0
119.08521	4.6
121.10104	1.0
124.03873	2.4
127.03866	4.9
131.08533	8.0
132.04364	2.2
132.08865	0.7
132.10178	6.4
133.10080	12.8
134.10435	3.7
135.04330	1.3
145.02795	5.1
145.04865	0.9
145.10048	0.8
146.05986	100.0
147.04347	3.1
147.11661	4.7
148.12050	0.9
149.09554	2.9
150.05478	0.8
151.11124	1.6
153.01805	1.1
162.05475	14.0
163.03871	5.6
174.05476	14.2
175.11145	3.0
177.05469	5.0
177.06795	0.8
185.04230	6.0
190.05014	1.5
192.06479	13.9
193.01151	0.8
193.12177	2.7
207.06506	0.9
261.20279	0.7
279.21545	0.7
300.08713	1.3
303.08517	0.8
306.20761	3.4
318.09665	3.3
324.21533	4.6
325.06741	3.9
325.21893	1.1
333.15262	1.3
336.10724	3.7
337.05301	5.3
384.40906	0.7
487.11996	67.1
488.12323	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	487.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.4
61.02832	0.4
63.73594	0.3
63.86391	0.3
69.03337	1.8
70.06499	1.6
71.04876	0.5
73.02827	4.3
73.34739	0.3
78.59960	0.3
81.03327	2.2
84.04419	0.7
84.08077	0.3
85.02824	3.1
89.03825	0.5
97.02818	1.8
99.04379	1.3
107.04884	0.4
109.02805	2.1
117.03358	1.1
127.03882	0.7
130.06491	100.0
131.06837	1.3
133.04852	0.5
134.87500	0.5
135.04407	2.4
136.06166	0.5
140.14883	0.4
143.07301	0.4
144.08061	10.8
144.09181	0.6
145.02818	2.1
146.06030	1.5
147.04335	0.7
147.06377	0.4
162.05420	2.4
163.03862	9.8
163.05919	0.5
168.07993	0.4
172.07541	11.8
176.06961	3.3
180.08086	0.4
208.07565	1.4
226.08598	2.3
237.02744	0.4
244.09752	0.5
244.78633	0.3
293.70892	0.3
314.91953	0.3
320.11273	1.4
338.12265	5.5
362.12402	0.4
380.13412	3.5
434.14282	1.5
499.02289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71114	0.6
56.96497	15.0
57.07013	1.2
67.05412	0.9
70.06490	7.6
71.08598	0.7
98.98415	0.9
102.92557	1.4
107.33421	0.8
116.07034	7.8
129.64874	0.7
136.93117	4.8
137.02736	0.8
138.94687	0.8
146.99625	1.4
154.94144	16.1
168.95686	11.6
172.95198	36.8
185.07930	0.8
186.96754	89.2
189.04041	1.0
190.96251	28.0
195.96892	1.0
204.97829	100.0
209.98376	3.8
210.96753	4.3
212.98529	1.0
222.98837	3.1
224.98340	4.0
226.99841	1.3
227.99419	3.4
228.97736	11.0
230.99385	1.1
242.99355	10.6
245.00946	1.9
246.98958	1.9
261.00421	1.1
314.27612	1.3
315.28204	0.9
319.19357	13.1
335.18649	3.3
337.20465	34.6
338.20786	1.4
355.21564	3.1
360.21796	1.1
375.21719	0.9
413.17438	1.7
427.18793	1.8
431.19052	2.4
455.18689	3.7
469.20044	5.0
473.19708	31.4
474.19891	1.9
477.17438	0.8
487.21277	31.0
488.21341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98038	11.5
55.05439	74.4
56.96496	19.8
57.11733	13.8
58.93452	15.8
58.99509	22.6
67.05421	33.1
69.06980	15.6
69.12150	12.7
79.05379	23.4
81.06965	23.1
83.08533	34.7
91.05386	14.0
93.06950	33.4
95.08498	17.6
96.04391	24.2
97.10096	57.5
97.58858	16.1
107.71435	15.9
112.41396	13.0
113.00536	61.7
116.01627	22.5
121.10050	16.1
185.48308	14.6
190.96204	25.4
196.11508	100.0
244.76178	16.1
266.11960	53.6
284.13202	22.8
299.13968	25.8
387.15503	57.3
394.19943	28.3
469.23172	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86205	3.0
54.53334	2.9
55.01813	3.8
55.05450	43.8
57.07001	8.3
59.09271	3.5
67.05429	58.4
69.03355	7.1
69.06980	41.6
70.93414	2.9
71.08540	17.8
79.05420	34.6
81.03336	41.5
81.06979	44.2
81.41428	3.0
82.09212	3.1
83.04888	13.1
85.06406	3.4
89.05927	3.1
91.05385	21.6
92.10313	5.5
93.06970	61.1
95.04893	29.4
95.08535	32.6
97.06455	7.1
97.10107	16.6
99.07999	4.1
105.06990	13.7
106.65762	3.8
107.08524	19.4
109.10120	23.9
119.08521	21.5
121.10094	26.0
130.06480	100.0
133.10069	8.1
135.11705	4.3
137.09541	17.6
139.11160	6.8
143.07188	3.3
144.08115	3.8
147.11690	4.0
149.13280	4.2
151.11142	14.5
156.08066	4.2
168.08026	28.6
170.09583	6.8
176.06998	5.6
180.08073	6.9
182.09604	7.8
194.09720	4.2
224.14226	12.4
238.15788	8.2
240.17380	29.4
277.21594	79.9
295.22650	81.0
378.27863	4.8
406.27179	17.3
424.28360	91.8
434.27036	5.1
452.27692	4.5
470.28836	5.3
487.28836	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	488.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.8
54.47843	0.1
54.81658	0.1
56.64241	0.1
57.03377	0.2
69.03355	1.4
71.04903	0.3
72.08062	0.2
81.03344	2.3
85.02831	1.1
91.05367	0.3
92.10870	0.2
97.02818	2.7
97.72574	0.1
99.04361	0.3
105.06969	0.2
106.02868	0.3
109.02832	3.7
113.11585	0.1
117.03303	0.3
118.06487	0.6
124.03936	0.6
127.03886	1.1
128.04903	2.2
132.04405	2.0
134.03757	0.1
145.02809	1.2
145.04941	0.2
146.05991	100.0
147.04384	0.6
147.06342	2.8
149.05922	0.2
160.26799	0.1
162.05418	1.2
174.05478	9.8
175.05757	0.2
177.05409	1.0
192.06523	7.6
218.08052	0.2
234.14171	0.1
246.07570	0.6
254.08160	0.3
300.08621	0.6
318.09647	1.2
322.82864	0.2
336.10873	0.6
390.71887	0.2
419.70023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85664	0.7
58.99532	7.9
58.99760	0.9
64.96863	0.7
69.03333	0.8
70.06504	1.3
76.02142	54.7
76.03918	1.5
80.04922	0.9
81.06956	1.1
84.03951	1.0
84.04429	18.5
85.02828	2.2
86.98972	1.7
88.38035	0.9
91.05405	12.4
94.91087	0.9
97.02827	1.7
103.05409	0.9
116.01655	14.7
119.04899	32.6
122.03560	1.2
124.96650	1.0
130.04916	6.7
130.06467	4.0
131.04898	6.8
136.05164	1.8
137.05956	100.0
138.06296	1.2
142.03183	6.5
144.01125	5.6
146.06006	7.4
147.04410	6.7
151.07527	28.3
162.02187	20.9
162.05519	1.2
170.02670	1.5
172.03888	6.5
179.04836	18.6
179.07005	3.4
181.08582	22.5
183.72040	1.0
233.05809	5.9
245.05855	1.1
308.09061	34.6
309.09430	1.4
442.19138	0.9
488.16931	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	488.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.8
55.01824	0.3
55.05435	0.5
57.40393	0.3
61.02834	0.4
61.09486	0.3
69.03348	3.2
70.06479	0.5
71.04890	1.6
72.08062	0.3
79.34618	0.3
81.03336	4.8
83.04862	0.5
85.02832	2.6
89.02979	0.3
95.09028	0.4
97.02814	4.1
98.64183	0.3
99.04374	2.2
100.43145	0.3
101.05970	0.7
103.81907	0.4
109.02820	5.3
116.04914	0.8
123.04406	0.4
127.03869	4.4
128.35498	0.3
130.06488	5.3
131.06841	1.7
132.04427	0.4
134.05980	2.9
134.06792	0.3
144.04404	1.7
144.08017	0.5
145.04919	0.6
146.05978	64.6
147.06343	0.8
148.03908	1.7
162.05460	100.0
163.05812	2.8
168.52649	0.3
172.07404	0.4
174.05460	8.3
175.81181	0.3
190.04930	8.5
192.06512	6.0
194.00279	0.4
208.06021	8.3
209.02625	1.8
213.48355	0.3
234.07445	0.4
316.08142	1.3
318.09601	1.9
334.09149	2.5
336.10870	0.5
352.09982	1.5
452.15094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	1.8
54.59256	0.3
55.01808	2.0
55.05453	3.3
56.64355	0.4
57.03370	6.5
61.02856	10.2
69.03344	20.1
69.03697	0.9
71.04886	1.9
73.02821	5.1
78.22793	0.4
81.03329	10.1
82.03628	0.5
83.01244	0.8
83.08536	10.2
85.02824	100.0
85.30219	0.4
87.04387	2.7
91.03873	4.6
97.02820	30.6
98.03161	0.5
99.04382	5.0
100.16039	0.5
101.09595	4.5
102.42606	0.5
109.02822	9.5
127.03871	21.0
130.06490	18.3
131.06830	7.6
144.08092	2.6
145.04930	28.4
145.08344	0.6
146.05956	0.5
147.10214	1.3
163.05962	11.6
172.07553	2.8
173.07941	1.0
176.07043	3.1
177.07455	0.6
248.34154	0.5
309.15326	2.8
325.11252	0.7
338.12149	0.9
339.12497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96521	0.5
53.03889	2.4
53.63621	0.4
54.57428	0.5
55.01802	2.4
55.05443	3.4
56.86627	0.4
57.03372	6.4
60.31139	0.6
61.02855	11.0
62.66432	0.5
69.03350	19.2
69.06980	2.1
70.06499	3.7
71.04889	2.9
72.08066	3.5
73.02829	4.8
80.34143	0.6
81.03338	6.8
83.01260	0.8
83.08540	7.2
84.04409	0.7
84.08079	2.2
85.02827	100.0
86.09604	0.8
87.04397	1.2
87.08038	3.8
91.03888	4.1
91.05375	1.0
97.02821	28.1
98.05975	0.5
99.04367	5.1
101.09592	4.0
102.68115	0.6
105.06963	0.6
109.02834	8.4
115.03882	0.8
116.98598	0.8
117.03327	0.9
119.10622	0.8
121.02835	1.1
127.03880	20.4
130.06482	3.6
131.06821	2.1
145.02824	3.2
145.04935	26.0
146.06023	2.2
147.04369	3.7
147.10129	3.7
149.05963	0.5
150.07745	2.3
154.05019	0.5
162.05484	0.9
163.05968	9.3
177.05464	4.2
261.33890	0.6
289.21698	0.6
309.15158	1.2
325.11041	0.6
430.87836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02285	0.4
53.03867	1.7
54.19257	0.3
56.49835	0.3
61.98381	0.3
68.01745	0.4
69.03343	4.1
69.06973	0.5
70.06506	12.6
71.21100	0.4
72.08064	0.7
73.02811	0.5
78.02950	0.5
78.03365	5.4
80.04898	0.5
80.15334	0.4
80.88451	0.4
81.03336	7.4
83.06010	0.9
85.02831	3.0
86.09611	3.1
91.05412	4.4
96.04423	3.9
97.02810	2.0
98.05964	2.8
99.04333	0.9
105.15154	0.4
106.02861	22.2
109.02805	2.8
109.03490	0.4
110.07119	10.4
110.43414	0.4
114.09074	1.0
116.04978	0.6
119.04886	9.9
120.05224	2.0
121.80614	0.4
124.03912	29.9
125.04267	0.5
126.05471	2.2
127.03865	1.5
130.06483	1.1
134.05991	3.2
144.04410	1.7
145.02791	0.9
146.06033	0.9
147.04382	35.3
148.03847	0.4
148.04758	8.3
150.22751	0.4
162.05467	100.0
163.05774	2.4
167.06880	0.4
170.09212	2.0
177.05441	0.9
186.05519	0.6
190.04921	9.2
195.11284	0.5
203.96503	0.4
204.06487	1.9
222.07635	6.5
250.07031	1.0
268.08096	7.9
282.02762	0.9
291.08981	0.5
309.09641	0.7
429.12833	2.3
489.14966	22.0
490.15564	0.5
509.04361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81968	0.5
55.01797	2.5
55.05445	1.0
56.90817	0.5
56.96495	0.6
64.33513	0.6
65.03862	5.1
67.05421	1.0
69.03322	0.6
70.06496	3.0
72.08059	3.7
79.05394	0.9
81.03336	1.1
81.63552	0.5
82.04145	0.6
84.08065	1.1
85.02848	4.4
86.09628	0.9
89.03825	5.7
89.10715	0.8
91.05410	5.5
93.03339	0.7
93.28866	0.6
95.04876	2.8
97.02819	2.1
97.06456	1.3
97.66525	0.5
98.05990	1.1
103.05412	0.7
105.03312	0.8
107.04913	1.1
107.28909	0.5
109.06460	3.7
110.03593	2.1
111.04383	2.5
117.03321	24.7
119.04901	7.9
121.02796	1.0
121.06426	0.7
123.04390	2.4
124.03918	1.3
125.05932	2.8
127.03857	0.7
130.06438	0.6
131.04790	0.9
133.02805	4.4
133.06450	2.7
134.03603	1.2
135.04335	2.9
136.07571	0.8
137.05945	8.1
139.03822	0.7
140.04669	0.6
142.02608	1.2
145.02815	51.4
146.03148	1.2
146.06001	1.0
147.04375	9.2
149.05931	8.8
151.03877	1.3
151.07545	1.1
153.05450	3.3
155.06985	1.0
159.04407	1.1
162.03151	1.2
162.05473	3.2
163.03853	2.3
165.05415	8.3
166.06227	2.1
167.06966	2.2
171.06462	7.2
175.03854	7.2
177.05423	49.8
178.05817	0.8
179.06996	1.0
180.04131	2.9
180.07782	5.4
181.04909	100.0
182.05347	1.3
186.05394	0.7
187.03883	1.1
188.83182	0.6
193.04973	3.1
195.06488	3.2
197.08058	1.1
201.05499	3.8
207.06506	6.8
208.07280	16.5
209.07956	1.4
219.06470	3.9
225.07518	14.5
226.08269	8.5
229.04922	0.7
237.02609	0.6
259.09314	0.9
265.15411	1.0
282.02896	0.8
287.13623	0.7
291.42673	0.6
315.05655	0.6
369.09576	6.6
383.11130	5.2
401.12204	11.6
472.19473	1.2
489.22293	12.6
489.29709	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67801	1.1
55.05441	1.8
56.38329	1.1
56.96497	6.6
63.25832	1.3
68.11238	1.5
81.06947	2.5
91.05394	2.0
93.07001	1.6
95.08508	1.8
98.72664	1.3
103.11678	1.4
107.08474	1.7
119.08541	2.5
136.93118	1.4
141.84242	1.6
145.02811	5.7
154.94115	9.5
168.95706	6.3
172.95216	34.8
177.05403	8.8
184.14885	1.4
186.96754	85.0
190.96280	25.2
198.21664	1.3
204.97826	100.0
208.62996	1.5
209.98282	2.3
210.96887	2.3
222.98814	1.8
224.98346	2.4
227.99211	2.0
228.97772	12.9
242.99385	14.0
245.00935	2.5
321.20950	2.6
337.20068	2.0
339.21991	16.8
389.80569	1.6
475.21265	26.9
489.23181	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	489.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	0.5
53.03884	1.1
55.01809	1.4
55.05457	5.2
57.07010	4.8
58.99509	0.9
63.42571	0.5
65.03862	0.8
67.05426	11.3
69.03345	1.2
69.06993	5.2
70.06466	0.6
71.04882	0.9
71.08544	14.8
73.02841	0.6
76.02135	7.8
79.05408	7.1
81.03334	16.2
81.06972	8.4
83.04878	2.6
83.08517	2.3
84.04494	0.6
85.03929	1.4
85.06448	4.2
86.09626	14.2
91.05401	7.3
92.10209	1.9
93.06976	9.2
95.04888	17.7
95.08529	9.8
97.06437	1.3
99.08021	9.2
101.05935	0.7
105.06953	4.0
107.04883	1.3
107.08524	5.1
109.06464	1.3
109.10125	6.1
109.10741	0.8
113.03389	0.8
116.01620	3.2
117.03373	0.8
117.06990	2.6
119.05022	0.8
119.08570	5.5
121.06493	0.8
121.10139	1.7
123.08015	1.0
130.05003	0.9
131.04430	0.7
131.08554	3.0
133.10127	4.5
135.08032	1.0
135.11632	1.3
137.09583	2.7
139.11134	0.7
141.09081	3.4
144.01117	2.4
145.02834	2.3
145.10109	1.1
146.11766	6.0
147.04390	2.4
147.11694	0.8
149.09618	1.0
149.13243	0.7
151.11153	100.0
153.96492	0.6
159.11642	3.8
161.09560	3.1
162.02155	3.6
163.11020	0.7
165.12726	1.4
175.18080	0.6
177.03247	1.4
177.05312	2.8
177.12675	8.9
179.04787	3.9
179.10518	0.8
191.14276	1.4
257.18951	1.4
275.20041	4.5
293.21054	86.1
294.21429	0.7
295.22726	0.7
322.23694	4.2
340.24774	3.6
423.52640	0.6
469.96359	0.7
471.24881	2.8
489.27148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79099	0.3
55.01822	0.5
55.05449	2.2
55.97161	0.3
56.96498	1.5
57.07017	0.6
63.02292	0.4
67.05426	2.5
67.57349	0.3
69.06998	0.7
73.46432	0.4
79.05412	1.8
79.91428	0.3
81.06963	3.1
82.53398	0.4
83.04886	0.7
83.08528	0.7
89.03838	10.6
91.05419	2.7
92.10284	0.5
93.06985	2.0
95.04904	0.7
95.08522	1.7
97.06480	0.4
97.10098	0.5
105.06989	0.4
106.04124	0.6
107.08533	0.9
113.09560	0.7
117.03336	43.2
118.03682	0.5
119.08513	1.8
125.09566	0.6
131.98422	0.4
133.10135	0.6
134.03650	2.8
135.04384	2.9
145.02834	100.0
146.03152	3.5
149.02293	0.7
149.05956	14.2
163.03842	0.8
165.12735	0.5
172.95155	3.7
175.83595	0.4
177.05441	99.1
178.05769	2.9
186.05455	2.4
190.96304	3.6
228.97835	2.1
257.34009	0.5
277.21527	0.9
295.22598	0.8
335.18726	0.9
353.19901	2.2
371.20941	0.6
471.18076	0.5
473.14185	0.5
486.83008	0.4
489.18881	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	489.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48166	1.0
54.81471	1.0
55.05436	1.5
67.05415	1.9
69.06989	1.9
70.00618	1.4
70.01784	1.1
70.06506	1.7
81.06978	1.8
93.06965	1.6
107.08517	1.6
119.08509	1.1
165.82478	1.1
195.10062	1.3
211.09441	8.2
251.86021	1.1
317.20947	3.9
488.36166	5.8
488.43042	5.6
489.31635	100.0
489.43121	3.3
490.31857	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	489.3188
Annotation	Ser Val Lys Arg
Peak:m/z	Relative Intensity
57.00473	2.1
63.91534	2.0
67.05419	2.7
79.05433	2.6
81.07007	3.4
81.48404	2.3
93.06957	2.8
105.06944	3.8
114.36216	3.1
136.06166	5.7
198.96593	2.6
203.59888	2.5
215.20975	2.2
217.53465	2.4
242.79211	2.7
317.20569	2.8
392.82440	2.6
488.36252	9.8
489.31665	100.0
490.32077	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	0.4
59.89796	0.4
61.02802	0.4
69.03343	1.6
70.06154	0.4
70.06513	10.4
72.08050	0.6
73.02816	0.6
81.03333	2.9
84.86208	0.3
85.02809	2.6
86.09625	2.4
89.05938	0.9
91.05373	0.4
97.02821	4.0
97.06408	0.4
98.05985	1.7
99.04401	0.6
100.11181	1.5
105.03309	0.9
107.08485	0.3
109.02821	3.1
110.07110	6.2
116.07063	1.7
118.06512	0.6
126.05465	0.5
127.03886	1.5
128.04919	2.0
131.36853	0.4
132.04402	2.0
145.02818	0.7
146.05984	100.0
147.04361	0.9
147.06348	0.7
149.02425	0.7
162.05449	1.6
169.13995	0.4
170.09181	1.8
173.12738	0.4
174.05460	8.1
177.05470	1.8
192.06543	7.4
207.06546	0.5
210.14813	0.7
246.07568	0.6
262.88907	0.4
268.73279	0.4
300.08704	0.8
332.19550	0.5
407.59106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04972	3.3
58.29237	0.2
67.11721	0.2
67.93050	0.2
70.06494	0.4
72.87051	0.2
74.02342	1.2
76.56024	0.2
84.04426	100.0
84.08066	9.5
85.02827	2.3
85.04765	1.8
85.06426	0.3
85.08389	1.2
87.30019	0.2
88.03941	0.3
92.56015	0.3
100.25087	0.2
102.05475	33.2
102.09097	0.3
102.62065	0.2
103.05858	0.5
116.06947	0.3
124.90379	0.3
126.13274	0.3
130.04965	45.4
130.08601	5.3
131.03305	0.3
131.05327	2.1
131.08957	0.5
132.35493	0.2
146.50117	0.3
147.07640	4.7
147.11266	3.7
148.06023	56.0
148.09654	1.1
148.11565	1.0
149.06325	1.1
177.05353	0.3
407.56094	0.3
478.14328	0.3
478.98544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95648	0.2
54.81930	0.2
56.96489	0.3
62.68402	0.1
79.05386	0.7
84.04422	1.0
85.02824	0.3
89.03833	0.2
91.05413	0.3
93.06956	0.9
95.04865	0.2
97.02840	0.3
101.05959	0.3
103.05405	5.2
104.05733	0.1
107.04905	2.0
107.43271	0.2
119.75348	0.2
120.08054	100.0
121.08394	2.0
125.31181	0.1
128.97670	0.2
130.04974	0.3
131.04890	3.0
145.02844	1.4
149.05962	1.4
166.04932	1.1
166.08595	23.8
167.09001	0.6
177.05426	2.5
185.05330	0.2
220.44789	0.2
262.60617	0.2
329.04736	0.2
394.14874	0.2
493.02267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87770	1.8
55.05436	2.5
55.42591	1.7
61.32879	1.8
69.03327	10.3
70.06501	4.9
71.04901	1.9
72.08056	4.8
79.05420	4.0
81.03329	9.8
81.06947	2.4
83.06015	2.9
84.04412	17.4
85.02811	8.0
86.01483	2.6
86.09617	3.6
89.03845	3.2
91.05399	9.6
93.06972	3.6
97.02825	7.6
98.24806	2.0
104.91824	2.0
105.06934	2.5
107.04963	2.4
107.08561	2.9
108.03321	2.0
109.02810	9.5
109.37648	1.9
110.08689	2.0
116.98582	1.9
117.03318	18.1
119.04887	10.0
119.56454	2.1
121.02838	10.9
124.03900	3.5
124.16464	1.6
129.06560	7.5
130.04958	23.6
131.04872	4.0
133.09978	2.1
134.03552	2.0
134.38943	2.0
135.11635	2.2
145.02821	50.6
145.62949	2.2
146.03267	2.3
146.05977	97.8
146.07047	4.3
147.04369	19.6
147.06335	9.2
147.07648	8.3
149.05922	4.5
162.05464	16.0
174.05405	14.0
177.05452	70.7
177.12686	3.6
178.05760	3.5
192.06480	4.8
282.02850	2.3
314.18408	2.4
321.09811	2.1
323.19501	3.7
341.20844	10.9
360.88019	2.2
490.15872	3.8
490.23001	100.0
491.23395	3.6
491.30258	10.6
506.36667	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99553	0.5
54.19646	0.4
54.31060	0.3
54.80936	0.4
56.96491	0.5
69.03339	2.9
69.07001	0.7
70.06505	1.1
72.08057	0.4
81.03339	3.2
84.04358	0.4
85.02814	0.9
87.04420	0.6
90.67516	0.4
97.02819	1.8
98.97491	0.7
104.56051	0.5
109.02853	3.5
116.04919	0.5
127.03884	2.2
134.06020	2.6
139.79242	0.4
144.04445	1.9
145.02814	2.9
147.04419	1.8
148.03940	0.9
162.05476	100.0
163.03868	0.5
163.05795	3.7
173.91478	0.5
177.05453	3.9
190.04971	10.5
208.06033	8.8
265.15500	1.6
300.86859	0.5
316.08212	0.8
334.09097	3.9
352.10284	2.6
438.13995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	2.7
55.05453	26.3
57.03377	18.4
57.07014	7.2
58.16468	1.5
67.05433	67.4
69.06979	22.3
73.29776	2.0
73.52277	1.9
75.08739	1.6
79.05413	24.3
81.06977	68.0
83.08537	11.9
84.27296	2.1
91.05410	14.2
93.06989	21.7
95.08533	56.2
97.10145	2.4
98.98398	100.0
105.06992	12.1
107.08564	9.9
109.10113	18.0
116.99441	3.8
119.08486	3.7
121.10073	7.4
123.11684	4.4
133.10083	7.7
135.11629	2.2
136.99957	4.4
147.11691	2.0
149.13187	2.2
155.01025	61.9
156.48938	1.8
172.95175	3.3
187.83784	2.2
245.22568	3.1
263.23752	3.1
337.27277	59.4
473.26498	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	491.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.9
53.45978	0.7
55.01817	1.2
55.05450	10.9
57.03350	1.5
57.07001	3.2
58.99523	6.0
64.32924	0.9
66.67308	0.7
67.05428	20.4
69.03366	2.6
69.06986	15.5
69.14604	0.8
71.04902	3.9
71.08551	13.8
76.02142	20.3
77.60170	0.7
79.05415	12.6
81.03345	7.9
81.06966	15.5
83.04893	4.6
83.08525	3.3
85.03959	1.5
85.06441	1.4
86.98952	1.3
89.03823	1.1
91.05397	7.6
93.06970	18.4
95.04897	11.4
95.08532	13.5
96.40947	0.7
97.06458	3.5
97.10097	4.2
99.08038	8.0
101.79017	0.9
105.06985	6.9
107.08532	8.4
109.06457	1.5
109.10109	8.1
111.08046	1.3
116.01626	10.6
117.03328	1.5
119.08502	6.0
121.10105	8.0
123.07967	1.2
123.11658	1.5
131.08537	1.4
133.10078	2.1
135.07910	1.1
135.11687	1.6
137.09596	5.2
139.11130	4.1
144.01115	4.9
145.02820	6.7
145.10112	1.3
147.04337	1.1
147.11716	1.0
149.02306	15.2
149.13293	1.2
151.11140	16.0
153.12733	1.1
159.11664	1.3
161.13206	1.6
162.02161	10.0
165.12674	0.9
177.03207	0.9
177.05411	7.1
179.04800	11.4
179.14240	1.7
185.13231	1.2
192.63354	0.9
193.04947	10.9
203.12752	1.4
209.92186	0.8
220.30432	0.8
221.15335	1.6
237.07530	8.5
249.22015	1.6
277.21585	34.2
293.88919	0.9
295.22610	100.0
296.22989	1.4
296.38992	0.9
297.16116	0.9
318.59067	1.0
339.92752	1.0
403.10278	1.2
429.11588	1.1
473.14365	1.8
473.26660	1.2
491.27097	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86944	0.2
55.01788	0.3
57.03367	3.5
65.03873	0.3
69.03336	0.5
70.06504	0.3
71.01260	1.9
72.08060	0.2
73.02822	3.2
75.04404	0.3
78.03339	1.1
79.27843	0.3
79.95979	0.2
80.04931	2.7
81.03303	0.3
85.02827	6.3
86.09644	0.4
91.05404	34.3
91.21313	0.2
95.01240	1.8
96.04414	1.7
97.02835	1.3
99.00743	0.4
101.02337	0.5
103.03859	1.0
106.02847	7.6
107.04887	0.6
113.02328	2.3
119.04882	0.5
124.03908	100.0
125.04223	0.6
131.03360	1.6
137.06003	0.3
141.01799	1.9
145.02850	0.5
146.05983	1.1
147.04370	1.1
158.32201	0.3
162.05518	0.6
177.05504	0.5
180.06517	4.3
193.08559	11.1
198.07578	4.9
202.88399	0.3
316.11722	13.3
369.11728	1.2
374.10876	0.4
492.14752	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63734	0.5
55.05434	3.3
56.01777	0.4
56.04959	1.2
57.03372	0.7
57.07018	0.5
58.06531	100.0
62.98175	0.7
67.05430	6.7
69.06976	3.8
71.08514	0.6
76.07536	3.5
79.05392	1.2
81.06969	7.0
83.08561	0.7
91.05397	2.0
92.10951	0.7
93.06954	1.1
95.08521	5.3
105.06944	1.1
107.08518	1.2
109.10120	0.8
120.08620	0.5
121.10168	0.8
124.93752	4.1
147.11612	0.5
153.09756	0.5
155.01003	0.9
156.96327	5.2
172.10001	0.6
184.07265	0.7
190.96005	0.9
208.97066	0.7
230.07719	0.7
236.58792	0.6
337.27267	12.8
338.28177	0.6
339.28601	0.7
461.20261	2.9
474.29416	0.8
492.30762	1.0
493.22928	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	492.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	1.6
56.04944	1.4
56.48582	1.2
57.03370	1.3
58.06509	1.2
60.08090	23.5
67.05420	3.2
68.41040	1.3
69.06984	3.0
71.07260	6.9
77.23859	1.3
77.75188	1.3
79.05383	1.6
81.06964	8.0
86.09626	72.9
91.05399	1.7
93.06963	2.1
95.08532	5.5
98.98409	2.1
104.10678	100.0
117.91584	1.5
120.84739	1.4
124.99970	45.7
129.74292	1.3
130.12753	1.3
184.07303	92.4
185.07417	1.4
207.06514	1.5
341.27271	1.3
419.93448	1.6
427.58835	1.6
474.29611	6.5
492.30667	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01561	0.2
55.05440	0.7
56.04965	0.4
57.03363	0.3
58.06532	0.3
59.42201	0.2
60.07828	0.4
60.08095	8.7
63.73158	0.3
67.05414	2.0
69.06978	0.7
71.07283	4.1
73.05382	0.3
76.90009	0.3
79.05384	0.4
81.06959	2.0
83.08513	0.3
86.09625	46.4
88.25077	0.3
91.05402	0.5
91.79517	0.3
95.08538	1.3
98.98389	4.0
104.10667	4.2
114.59729	0.3
119.08516	0.6
124.99958	39.1
143.00999	0.4
184.07297	100.0
185.07629	0.7
205.74277	0.3
251.06866	0.4
309.24240	0.4
371.21176	0.7
425.32202	0.4
474.29733	0.4
492.30945	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	492.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62486	0.8
67.05424	2.2
69.06983	5.8
79.05404	1.4
81.06976	7.1
83.30317	1.0
88.19610	0.9
89.03835	8.6
91.05399	2.1
93.06963	5.0
95.08536	5.4
105.06987	1.9
107.08551	4.0
109.10144	4.1
117.03329	35.6
119.08553	1.8
121.10087	1.0
134.03578	2.2
135.04329	1.3
145.02834	94.2
145.10081	1.4
147.11671	1.5
149.05966	15.4
163.03888	1.5
177.05440	100.0
178.05777	1.4
186.05470	1.3
197.27049	1.1
268.37097	1.1
353.01498	1.0
372.45767	1.1
468.63223	1.0
474.94037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	34.0
55.12032	6.3
57.07016	6.7
59.04938	70.1
67.05420	30.3
69.06987	61.5
71.04913	69.3
72.14142	9.6
73.06452	7.9
79.05393	48.1
81.06973	100.0
83.08530	11.1
85.06467	31.7
91.05387	34.9
93.06965	68.1
95.08551	60.4
97.10074	14.6
101.22442	7.2
105.06961	54.5
107.08542	97.2
109.06487	9.4
109.10064	37.7
119.08538	35.4
121.10082	17.8
123.11662	15.3
125.09618	64.0
126.43239	7.8
133.10080	40.2
135.11636	13.0
143.10638	50.3
145.10208	12.6
147.11659	32.7
159.11665	13.8
161.13251	12.8
187.14906	10.5
294.17645	8.4
492.31277	15.8
493.28162	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	493.1341
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03873	0.2
55.01792	0.2
57.03344	0.6
58.42789	0.1
61.02831	0.8
67.43205	0.1
69.03036	0.1
69.03337	1.7
73.02799	0.3
80.29370	0.1
81.03336	1.0
84.08019	0.3
85.02824	3.9
85.23279	0.1
91.03870	0.2
91.05379	0.6
92.10203	0.3
92.63899	0.2
94.31884	0.1
95.01169	0.1
97.02829	1.4
98.09605	0.2
98.17447	0.1
100.07516	0.2
109.02835	0.5
112.11177	0.4
117.03316	0.3
119.04889	1.2
120.05647	0.8
127.03836	0.5
145.02794	0.3
145.04915	0.2
146.05989	2.0
147.04288	0.2
153.01768	1.0
154.02560	0.6
155.11746	0.8
162.05453	1.5
162.07608	0.1
177.05434	0.8
178.02562	1.1
179.07025	0.2
203.03406	0.2
213.05432	0.2
242.05667	3.2
251.07004	0.3
258.05194	2.8
265.08630	1.1
269.04449	0.6
270.05167	14.3
271.05566	0.7
273.03845	2.1
285.03796	0.3
286.04694	2.5
287.05435	5.4
288.05896	0.3
298.04581	0.3
299.05347	1.1
301.03348	2.7
302.04105	3.6
312.43097	0.2
313.03543	0.9
315.04926	47.7
316.05551	8.2
317.06213	0.3
331.08047	100.0
332.08405	7.5
450.23706	0.2
493.21265	0.2
493.28049	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	1.4
57.03378	1.1
57.31791	0.6
58.48099	0.7
58.99511	0.7
61.02863	0.7
69.03339	1.6
70.06512	4.8
70.25771	0.7
71.04908	0.9
71.09933	0.6
72.08060	4.2
73.02815	0.7
75.14240	0.6
76.02143	5.2
77.63493	0.7
79.05415	0.8
81.03346	1.8
81.06990	0.7
83.04916	1.6
83.06022	0.8
84.04419	7.1
84.08073	4.8
85.01059	0.8
85.02803	5.4
86.09603	1.3
88.51580	0.7
91.05400	4.4
92.05724	0.9
93.06967	5.6
94.07274	1.0
95.04907	0.9
95.08528	1.4
97.02808	3.7
98.05991	1.2
98.09634	1.0
98.97566	0.8
106.02901	2.7
110.07100	1.1
112.11182	1.8
119.04916	7.3
120.05724	1.7
120.08148	1.0
121.06447	1.7
122.06733	0.8
124.03938	3.1
125.04186	3.8
126.04478	0.8
127.03805	1.1
129.10207	1.0
130.06531	0.9
135.04349	0.8
137.05968	1.0
139.07518	1.5
145.02783	1.3
147.04376	8.0
148.04703	1.2
149.05922	1.7
153.03630	1.1
153.05418	0.8
155.11798	4.3
157.25153	0.8
157.79652	0.7
162.02151	1.0
162.05482	3.5
167.06937	1.3
171.04729	1.7
172.05063	1.0
177.05441	3.1
178.42035	0.9
179.05142	1.9
180.05524	1.1
185.04211	1.5
217.05109	1.5
225.05670	0.9
229.20314	1.0
237.02763	1.2
245.04784	1.2
245.06606	1.9
251.07054	1.3
260.09470	1.1
261.09735	1.5
265.08551	4.6
275.07361	2.8
281.04196	1.0
282.02942	0.8
305.08414	16.6
347.09415	20.0
363.12265	1.4
364.12274	1.8
365.10446	47.5
418.13263	1.1
492.14822	2.8
493.19235	100.0
493.27444	5.1
494.18405	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	493.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27361	0.2
55.01801	0.2
55.05448	0.4
56.04964	1.5
58.06533	2.8
63.02289	0.2
65.03857	0.5
67.01788	0.2
70.06495	1.3
72.04436	2.4
72.08067	2.6
75.09147	0.3
79.05408	0.3
82.06498	0.3
84.04395	0.3
84.08062	28.0
89.03828	5.6
91.05398	11.3
91.05943	0.5
93.21512	0.2
95.04895	0.3
95.12967	0.2
96.08079	0.4
98.09619	30.9
99.06034	0.2
99.09150	1.2
99.09998	0.2
100.07545	29.4
101.07130	0.3
101.07893	0.3
104.04942	0.3
107.04903	2.7
108.05683	1.0
110.09625	7.4
112.11188	24.8
113.07066	8.1
116.98560	0.3
117.03324	12.6
118.04144	1.7
119.04890	23.8
120.05670	21.4
120.88017	0.2
129.13828	6.6
131.04889	2.1
133.02779	2.4
135.04376	7.0
143.11818	0.3
145.02818	18.9
145.05194	0.5
146.03604	18.7
147.04391	1.1
148.05153	1.1
155.11757	30.6
156.12167	0.4
161.02350	1.0
163.03867	7.2
166.07709	0.3
167.08553	1.4
169.13312	5.0
171.04359	0.3
171.14902	2.7
172.14413	0.3
177.05443	0.3
177.06966	0.3
181.06425	0.3
191.08562	0.4
195.08003	3.8
200.17506	0.5
202.08580	1.7
203.09421	5.1
204.09821	0.2
205.06332	0.3
207.08107	0.5
209.09644	0.3
211.91418	0.3
212.17529	1.1
214.19102	4.5
219.08101	1.6
223.07513	3.9
225.09125	0.4
229.20212	5.0
230.24315	0.3
235.07553	1.4
237.08980	1.7
247.07440	2.4
249.05666	0.4
251.06963	36.4
252.07422	1.1
253.08537	3.5
263.06949	6.9
264.07089	0.4
265.08521	25.4
266.08447	0.6
268.09818	0.4
269.08014	2.4
273.05347	0.4
275.07004	0.3
280.09668	0.5
290.08023	4.5
291.06406	8.0
293.08112	1.8
308.12747	1.5
308.16071	0.2
319.14365	0.4
320.12741	2.2
322.14301	7.5
323.14093	0.4
347.13815	3.2
348.12216	16.4
348.15717	0.8
349.12650	0.5
350.13824	3.3
365.15002	1.2
377.18359	0.5
405.17780	3.0
419.19604	2.8
422.20477	2.1
450.23807	1.0
464.25305	0.3
475.26947	2.9
476.25244	2.4
493.27982	100.0
494.28354	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	493.2806
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.48729	0.7
56.04958	0.9
58.06541	3.9
65.03864	1.2
66.02743	0.9
72.08054	1.3
84.08062	18.8
89.03828	6.2
91.05413	31.5
98.09635	20.2
100.07548	17.0
107.04893	3.8
110.09641	5.3
112.11196	20.3
113.07076	13.9
117.03317	12.9
118.04129	1.4
119.04900	60.9
120.05682	65.2
129.13858	4.9
131.05031	0.7
133.02844	1.0
135.04381	5.7
136.12955	0.9
139.45020	0.8
140.00644	1.0
145.02849	14.0
146.03613	17.9
154.16852	0.9
155.11774	40.1
160.43483	0.9
161.02290	1.4
163.03889	7.6
167.08614	0.9
191.08488	1.1
195.08128	5.0
212.17569	5.1
214.19151	1.5
223.07542	3.4
229.20175	7.1
237.09109	1.6
247.07593	4.0
251.06989	23.5
253.08623	4.2
265.08560	54.2
269.08081	5.0
322.14401	6.4
419.19653	3.3
450.23807	5.1
464.25461	4.6
493.28018	100.0
494.28360	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	493.2803
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.05451	4.0
55.43781	0.3
55.58451	0.3
57.05741	0.5
58.06525	1.5
66.30952	0.3
67.05416	0.6
69.06990	0.4
72.08067	45.8
81.06956	0.6
91.05392	0.5
93.06970	0.7
103.05399	1.6
104.10689	0.3
105.06949	0.3
117.06992	0.3
119.04899	0.5
120.08056	100.0
121.08392	1.7
134.91284	0.3
157.84244	0.3
171.14915	5.1
174.12692	2.4
184.07317	0.4
199.14461	2.3
207.44638	0.3
219.14873	11.4
222.12634	0.3
247.14305	7.5
267.14841	6.0
273.19571	0.6
295.14371	4.6
301.19064	1.3
320.29285	1.1
321.29764	1.3
346.21155	3.7
349.19110	0.8
394.21265	3.4
465.28369	1.3
470.96729	0.3
493.27734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2806
Annotation	Mucronine B
Peak:m/z	Relative Intensity
54.25620	3.2
56.04985	3.0
56.54294	3.2
56.96507	3.5
57.03395	4.1
61.02856	3.8
64.33591	3.4
69.03329	17.3
70.06516	13.2
72.08063	4.8
84.04420	5.4
84.08064	55.5
85.02823	19.8
97.02837	6.4
98.09608	23.7
99.04343	3.5
100.07504	6.1
107.04902	31.4
110.07072	3.8
111.05497	14.8
112.11206	34.2
113.07060	25.4
114.61823	4.0
123.05534	6.3
127.03873	3.9
129.13800	5.2
130.06461	7.8
134.99605	3.9
135.04384	5.0
141.06561	31.8
143.04935	4.0
143.21042	3.4
146.05997	30.2
155.11765	34.7
161.35066	3.4
162.05504	18.1
163.03882	5.0
182.87787	3.4
198.15913	7.7
212.17592	13.1
219.08031	4.9
223.07431	7.5
229.20224	5.9
251.07030	5.0
263.94717	3.6
265.08530	16.8
275.89206	3.8
322.14111	5.5
422.75745	3.8
466.40598	3.8
493.28021	100.0
494.17282	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	494.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	0.4
56.04980	0.3
58.06541	0.3
64.33789	0.2
70.06507	1.3
72.08073	0.7
78.47813	0.3
79.95625	0.3
84.08070	3.7
98.09642	1.5
100.07583	0.3
112.11205	2.8
113.07081	1.3
113.11565	0.3
119.04883	0.3
129.13797	1.0
137.05940	1.1
143.47807	0.3
145.02774	0.5
147.04451	1.3
151.03928	0.3
155.11757	3.0
175.07491	0.4
198.16045	0.5
212.17715	1.2
214.04745	1.1
219.08025	1.1
237.09135	0.3
238.56219	0.3
247.07521	1.1
265.08572	0.6
303.10699	1.2
321.11475	0.4
352.15906	0.3
358.08972	0.3
376.09775	0.4
477.25610	0.3
493.15384	0.3
493.27933	3.8
494.16241	100.0
494.28186	3.0
495.16483	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03360	15.7
61.02843	11.1
66.37312	2.2
69.03341	40.2
72.35108	2.4
72.64282	2.5
81.03333	4.2
85.02343	4.6
85.02824	100.0
87.04376	17.2
92.10317	3.3
93.76566	2.7
97.02834	42.4
103.05424	2.7
105.06989	2.8
107.04895	26.3
115.03872	15.1
124.08997	2.9
124.99154	2.7
127.03876	20.2
133.04924	12.0
137.00563	2.6
145.04932	22.5
161.05923	4.2
163.05977	3.0
177.00688	2.7
177.03136	2.6
177.50488	3.3
178.00795	3.1
195.18190	3.0
212.91876	2.9
219.06439	3.1
261.07626	3.5
295.52011	3.0
313.28519	3.3
353.85678	3.3
375.46793	3.1
388.16937	3.5
392.44156	2.9
436.41824	2.6
512.02203	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	494.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10857	1.9
53.03891	3.6
53.34173	2.1
55.01820	2.3
57.03368	9.6
59.04916	2.0
61.02853	10.6
62.92137	2.1
66.69485	2.0
69.03346	34.8
70.06528	2.4
71.04926	3.2
73.02841	4.6
81.03349	9.4
83.01241	2.5
84.42780	2.2
85.02341	4.4
85.02827	100.0
87.04380	13.5
91.03856	3.0
97.02824	38.4
99.04369	3.9
107.04906	23.7
109.02834	5.3
115.03877	11.9
116.98580	2.2
127.03873	20.8
133.04889	5.0
142.75471	2.2
145.04950	16.3
153.05489	3.2
158.39664	2.8
163.05965	5.0
165.27287	2.8
167.07019	3.7
173.06055	2.8
182.96487	2.3
201.99780	2.9
207.06799	2.4
219.06560	3.7
241.71158	2.5
285.65790	2.5
476.33405	2.7
494.17834	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	3.3
55.01808	2.6
55.05452	36.3
55.93710	1.4
56.67116	1.6
57.03378	33.9
57.07018	7.0
62.06014	2.4
63.51837	1.5
65.03848	3.3
65.30350	1.7
67.05081	2.9
67.05431	83.5
69.06985	33.6
70.06520	1.7
71.04908	2.4
71.08550	41.7
79.05412	42.0
81.06979	100.0
83.08550	17.8
85.06435	2.4
85.10082	2.7
91.05396	30.4
93.06975	44.2
95.04895	7.3
95.07958	3.3
95.08536	66.3
97.06451	7.2
97.10097	4.1
98.85343	1.8
98.98367	7.7
99.08034	22.4
105.06993	19.5
107.08530	24.4
109.10107	19.3
111.08015	2.4
113.09568	2.8
117.06946	6.9
119.08537	12.1
121.10094	14.4
123.11647	8.0
131.08543	13.5
133.10086	9.0
135.10735	2.0
135.11624	13.2
137.13243	2.4
145.10092	6.9
147.11713	14.9
149.13199	4.4
151.14610	2.1
159.11661	2.4
161.13179	3.1
161.47929	1.8
163.14761	2.3
165.12735	2.5
173.13222	2.8
197.80531	1.7
211.09927	1.8
243.21042	3.3
253.17917	8.3
261.22238	14.0
269.17499	2.0
279.23160	15.5
322.27386	2.7
335.25732	66.7
336.25998	3.4
353.26816	73.5
354.26898	3.4
358.73160	1.8
367.01852	2.1
494.40250	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	2.2
53.45569	1.3
53.99858	1.5
54.81381	1.6
54.81655	1.6
55.01810	3.2
55.05451	45.6
56.21579	1.6
57.03383	17.9
57.07009	7.9
59.04948	2.0
61.92698	1.8
62.06013	9.2
67.05432	97.2
69.06993	50.7
71.04888	4.0
71.08552	13.4
79.05417	40.9
81.06980	78.2
83.04903	3.6
83.08534	16.7
91.05390	17.8
93.06971	45.5
95.04897	3.1
95.08534	49.5
97.06489	8.9
97.10112	12.4
98.98406	22.3
99.08025	8.3
105.06992	12.0
107.01014	2.1
107.08543	28.5
109.10122	36.1
117.07024	3.9
119.08540	13.8
121.10097	13.4
123.11664	2.7
125.09592	2.6
131.08549	4.0
133.10117	7.9
135.11684	16.2
137.13228	2.4
145.10133	4.3
147.04391	3.8
147.11641	4.4
159.11676	3.8
163.14824	2.3
173.11740	2.4
173.13182	2.9
189.11052	2.6
229.14467	3.3
261.22104	12.8
279.23108	14.2
322.27332	7.2
335.25766	25.1
353.26822	100.0
354.27283	3.8
357.01245	2.0
371.51257	2.4
458.26205	2.3
476.27209	4.0
494.40005	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	494.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69870	0.9
55.05444	5.9
56.04968	1.0
57.03362	1.2
57.07001	2.6
58.06528	1.4
58.97921	0.9
60.08093	26.8
60.59464	1.0
67.05414	6.5
69.06975	6.7
71.07296	8.9
71.08567	1.2
79.05400	1.5
81.06964	5.9
83.08502	2.2
86.09625	77.0
91.05401	1.4
93.06959	2.0
95.08519	6.3
97.04136	1.1
98.98418	7.6
104.10679	100.0
107.08559	1.4
111.07999	1.1
112.99986	2.0
124.93737	7.3
124.99958	48.9
125.00832	2.2
133.73170	1.0
143.01012	1.6
149.42995	1.2
156.96298	9.8
165.26477	1.2
170.47867	1.1
184.07301	96.7
185.07512	1.2
212.06737	1.1
224.77238	1.0
337.27231	4.5
427.59097	1.1
476.31433	3.6
494.23178	10.2
494.32117	31.0
495.32617	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05428	1.4
56.04963	0.5
57.03352	0.4
60.08092	10.1
67.05409	0.5
68.33607	0.4
69.06975	1.5
71.07298	4.4
79.05387	0.5
79.54794	0.3
81.06967	0.8
83.08523	0.9
86.09624	55.1
92.10345	0.5
93.06966	0.8
95.08506	0.4
97.10028	0.5
98.98401	4.8
100.90425	0.4
104.10676	3.6
121.10104	0.6
124.99961	40.8
143.01071	0.5
144.28413	0.4
144.43781	0.4
175.71429	0.4
184.07297	100.0
185.07683	0.8
232.42027	0.4
292.26309	0.5
429.19220	0.5
476.31213	0.4
494.32709	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	494.3237
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05447	2.9
58.06517	1.0
60.08096	21.3
60.22289	0.6
67.05418	4.1
69.06991	5.5
71.07289	9.1
79.05404	1.1
81.06976	3.8
83.08532	1.8
83.85703	0.6
86.09624	74.8
92.10269	1.0
93.06967	1.7
95.08538	1.7
97.10097	0.8
98.98386	4.3
104.10674	100.0
112.13979	0.7
121.10094	0.8
124.99956	43.0
132.08524	0.7
163.01427	0.9
184.07297	96.1
223.90524	0.7
238.21396	0.7
256.65970	0.9
345.03995	0.8
355.69742	0.7
476.31125	7.6
494.32437	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3235
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05446	3.0
57.03358	1.5
59.26894	1.0
60.08094	23.3
62.23096	1.0
67.05414	5.3
69.06979	5.2
71.07282	7.2
74.58346	1.2
79.05387	1.4
81.06974	1.7
86.09623	70.6
93.06960	1.5
98.98385	5.1
103.85672	1.3
104.10676	95.8
124.93752	1.5
124.99948	45.4
153.35127	1.1
156.96365	2.4
184.07295	100.0
247.83769	1.1
263.99747	1.3
377.45264	1.2
476.31140	4.9
487.31699	1.3
494.23215	5.4
494.32144	33.5
495.32782	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	495.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01513	0.0
51.02314	0.1
53.03870	0.1
64.57742	0.1
67.05412	0.1
69.03355	0.1
75.61346	0.0
76.97227	0.0
77.03806	0.1
78.75481	0.0
81.03327	0.2
81.06979	0.0
95.04888	0.1
95.08556	0.1
97.02946	0.0
99.04416	0.1
100.11177	0.0
102.04643	0.0
103.05407	0.8
109.02824	0.2
123.97303	0.0
128.04924	0.2
129.05751	0.1
130.06493	100.0
130.48277	0.0
131.06828	2.3
142.06503	0.1
144.08073	0.9
146.06007	0.1
157.05228	0.2
158.05769	0.1
170.06013	0.3
170.43484	0.0
176.07066	0.3
198.05424	0.5
225.88954	0.0
257.10690	0.2
259.12274	0.6
287.11700	0.2
311.67804	0.1
315.11237	0.1
320.11337	0.2
350.12271	0.5
477.16461	0.4
495.17587	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	495.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80188	0.1
53.16335	0.1
55.05444	0.5
57.07011	0.3
62.64832	0.1
67.05424	0.2
69.06992	0.3
70.06499	0.2
77.03841	0.1
81.03334	0.3
83.08533	0.2
88.03022	0.1
89.31638	0.1
95.04893	0.1
100.07597	0.2
100.11152	0.9
103.05399	0.6
109.02789	0.2
111.04375	0.2
116.95924	0.1
118.89588	0.1
129.05724	0.2
130.06494	100.0
131.06825	2.2
136.75427	0.1
140.01248	0.1
142.06514	0.2
142.12256	0.1
144.08080	0.8
145.02843	0.1
146.05925	0.2
149.09738	0.1
155.11674	0.1
156.13747	1.0
158.05858	0.2
160.07549	0.2
168.13792	0.6
170.06013	0.3
176.07031	0.3
181.69441	0.1
182.15367	0.7
184.13339	0.7
188.07050	0.2
196.13356	0.3
198.05472	0.6
209.16512	0.2
210.14842	0.6
259.12180	1.0
287.11832	0.4
300.26462	0.2
320.11182	0.2
350.12161	0.7
477.16495	0.2
495.31735	0.1
495.38818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47558	0.2
56.04974	0.2
58.06532	2.9
65.03861	0.4
67.62973	0.2
67.69773	0.1
68.97778	0.1
70.06498	0.8
72.04400	0.4
72.08066	2.3
84.04446	0.2
84.08067	13.8
89.10476	0.2
91.05408	5.0
92.10252	0.2
98.09624	11.7
98.97495	0.3
100.07549	6.6
101.07024	0.2
107.04903	4.3
110.09628	1.5
112.11193	28.0
113.07070	3.7
113.11514	0.3
116.98512	0.4
118.34065	0.2
119.04900	21.4
120.05285	0.2
125.35244	0.2
129.13838	14.5
131.66318	0.2
132.97778	0.2
147.04390	100.0
148.04741	2.1
151.03868	0.2
155.11768	13.3
162.09183	0.2
169.13316	1.1
171.14900	1.0
175.20906	0.2
200.17560	0.3
203.11725	3.1
204.10176	20.1
205.10521	0.3
212.17584	1.1
214.19095	1.7
218.11774	0.5
229.20216	2.2
258.15094	0.2
261.16226	0.2
275.17493	7.3
275.20438	0.3
276.17740	0.3
287.17389	0.2
301.15424	2.2
315.17105	0.4
346.21283	0.8
349.25836	2.0
358.21060	0.4
360.22742	2.2
371.24347	0.3
375.23856	4.4
376.24490	0.3
389.25476	0.3
421.20880	0.3
448.39310	0.2
495.29581	45.0
496.29910	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06536	3.5
58.65586	0.2
63.33382	0.2
65.03856	0.4
70.06516	0.8
70.60826	0.2
72.08070	2.9
84.08067	16.5
91.05401	8.1
92.05736	0.2
92.10323	0.4
97.02805	0.3
107.04866	0.3
112.11192	42.5
112.98925	0.2
113.11512	0.4
119.04893	24.9
129.13837	21.9
134.07706	0.2
146.06050	0.3
147.04385	100.0
148.04724	2.5
155.11763	1.1
203.11734	5.3
204.10167	35.4
205.10498	1.3
218.11690	0.5
258.63480	0.2
275.17462	9.4
276.17606	0.4
285.09982	0.3
326.29117	0.2
331.24854	0.9
349.25919	3.3
421.21011	0.3
473.79929	0.2
478.26935	0.3
495.29565	50.1
496.29886	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	496.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02859	0.5
70.06513	0.7
70.88877	0.6
74.50213	0.5
81.50632	0.5
84.04428	0.5
84.08073	0.6
84.34692	0.5
85.02840	1.0
104.03130	0.6
130.06612	0.6
133.74541	0.6
134.99612	0.6
137.05923	0.8
147.04419	2.5
162.05486	4.6
192.28178	0.6
192.38538	0.5
230.04289	1.2
235.84663	0.6
243.32080	0.6
307.09680	0.6
496.14182	100.0
497.14630	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	496.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32085	1.0
53.03896	1.1
55.01807	1.5
55.05452	1.0
57.03386	1.9
61.02840	2.3
67.57761	1.0
69.03341	14.2
70.06505	14.7
71.04916	1.7
72.08065	5.9
74.00591	2.6
80.11146	1.1
81.03340	5.2
81.24933	1.0
84.04449	1.1
84.08063	10.1
85.02834	20.9
85.46516	1.1
86.09628	9.2
87.25222	1.0
88.03918	1.7
91.05408	2.7
92.88577	1.0
95.04914	1.4
97.02828	9.3
98.09598	1.5
98.97524	1.7
99.04328	1.4
100.07555	1.9
107.04929	1.8
109.02826	2.6
110.07140	9.3
111.04379	2.3
111.41370	1.0
112.11182	6.8
113.11585	1.0
119.04904	9.3
119.64059	1.1
120.01121	7.7
123.04387	1.3
125.05972	8.4
127.03872	7.2
129.10194	1.2
129.13831	5.5
130.06508	1.4
135.15553	1.1
136.07462	1.2
137.06009	1.4
139.03883	8.6
140.04662	4.8
145.04953	1.4
145.89218	1.4
147.04378	27.0
148.04729	2.0
151.03896	2.1
153.01808	4.0
153.05382	8.9
154.06116	1.3
155.03348	18.2
155.06967	9.5
155.11766	2.7
156.04123	5.4
156.07666	2.5
159.01120	5.4
162.05487	4.9
168.04170	8.0
168.06540	1.5
169.04921	10.0
170.05710	30.5
171.04710	1.1
171.06496	5.5
176.04697	1.3
181.01266	2.1
182.05614	2.4
183.02942	6.0
183.06479	100.0
184.06821	1.2
185.08058	22.2
187.00639	5.7
195.03444	1.3
197.04384	2.3
198.05234	2.7
199.00793	1.1
199.04243	3.1
199.05916	17.5
202.02849	9.2
204.10193	5.1
205.10378	1.5
211.05981	38.3
213.07529	51.6
214.08197	10.0
215.00049	35.0
226.05246	4.4
229.20340	1.5
230.02399	79.0
231.02875	1.8
245.04730	71.4
256.06384	2.8
270.04327	2.0
275.17560	1.3
317.06647	1.2
334.09479	40.4
495.29291	7.7
496.12506	1.5
496.29361	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	496.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	1.0
55.01801	0.5
55.05456	0.5
55.68340	0.6
65.23173	0.5
69.03350	2.3
70.06498	0.9
74.54536	0.5
75.05276	0.5
78.45480	0.5
79.05401	0.5
81.03341	6.4
82.31401	0.6
82.90352	0.5
85.02831	2.8
89.03835	5.9
91.05403	2.4
93.06962	0.7
95.58718	0.5
97.02812	0.9
99.04382	0.8
106.75135	0.5
109.02837	2.4
117.03330	24.1
119.04876	1.0
124.03918	0.7
127.03886	0.7
134.03609	1.2
135.04398	3.0
135.11610	0.9
136.90958	0.5
145.02826	80.7
146.03120	2.3
146.05963	1.0
147.04384	3.3
149.05948	13.6
162.05426	1.0
163.03867	1.2
177.05435	100.0
178.05759	3.0
181.54953	0.7
186.05443	0.7
196.68961	0.6
201.09264	0.5
321.09653	4.5
339.10757	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	496.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32441	0.2
54.81493	0.3
55.05460	0.5
56.04994	0.4
57.46637	0.2
58.06525	0.7
60.07785	0.5
60.08095	12.3
67.40833	0.2
70.85725	0.2
71.07290	5.8
71.77583	0.2
81.06950	0.4
86.09629	60.2
87.09949	1.0
98.98409	4.7
100.11190	0.6
104.10680	43.0
105.11006	0.4
124.99965	42.1
127.20564	0.3
143.01036	1.3
159.69759	0.2
161.93182	0.3
184.07312	100.0
185.07669	1.2
248.37552	0.3
266.15240	2.3
281.47250	0.3
305.86322	0.3
361.58075	0.4
414.86862	0.3
478.29156	5.2
496.29916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20586	0.1
54.82010	0.2
55.05447	0.2
56.04961	0.4
58.06525	0.3
60.08099	10.4
61.27600	0.2
66.52478	0.2
67.05458	0.2
71.07291	3.8
72.08041	0.2
81.06984	0.4
85.02827	0.3
86.09634	53.3
87.09971	0.4
92.19659	0.2
98.98403	4.2
104.10690	15.2
113.09587	0.2
118.01225	0.2
124.99973	36.6
130.06528	0.3
143.01042	1.0
174.13824	0.2
177.05489	0.4
184.07320	100.0
185.07687	1.2
213.14757	0.3
266.15262	0.3
478.29324	1.8
496.30322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07003	1.0
60.08094	10.5
62.35636	0.4
71.07283	2.9
71.08521	0.5
78.10085	0.4
86.09628	53.0
98.98402	4.6
100.95658	0.5
104.10664	3.4
124.99966	38.7
137.47691	0.4
184.07304	100.0
199.69414	0.4
240.25331	0.4
340.31342	0.5
385.98080	0.5
420.79605	0.5
484.20053	0.5
489.65167	0.5
496.33762	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	496.3395
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.81175	0.7
56.04975	0.9
57.07015	3.5
58.06539	0.7
58.21226	0.6
60.08092	21.9
64.59858	0.7
71.07283	9.8
71.08544	3.2
81.06988	0.6
84.78677	0.8
85.10114	0.8
86.09629	68.5
87.55532	0.6
92.10896	1.5
98.98391	4.9
102.42302	0.7
104.10681	100.0
124.99971	43.6
132.89847	0.7
152.49498	0.8
171.78508	0.7
184.07310	92.8
206.05135	0.7
224.35152	0.7
313.27365	1.7
350.96039	0.7
478.32669	7.1
496.33975	38.3
497.34076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79031	0.4
67.10963	0.4
69.03336	2.3
72.08036	0.5
81.03329	2.1
81.06995	0.4
85.02824	1.9
86.09609	0.6
97.02831	3.5
109.02802	3.6
127.03867	0.9
128.04900	1.1
132.04433	0.8
145.02811	3.1
146.05986	100.0
147.04410	1.9
147.06303	2.1
162.05443	1.1
163.03870	0.6
174.05463	13.1
174.60223	0.5
177.05409	2.4
192.06491	9.9
194.62390	0.5
246.07620	0.7
300.08542	0.8
318.09601	1.1
445.16867	0.5
469.20908	0.5
470.46783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.5
55.05439	0.3
57.03387	0.2
59.33986	0.2
61.02863	0.2
68.50797	0.2
69.03356	1.7
70.06512	0.3
71.04910	0.3
79.05425	0.3
81.03339	2.5
81.06965	1.0
84.95956	0.2
85.02815	1.2
89.03832	0.3
97.02842	2.9
99.04375	0.5
106.02853	0.2
109.02808	2.8
109.06425	0.3
111.46303	0.2
117.03303	0.3
118.06505	0.5
124.03912	0.5
127.03859	1.3
127.07565	0.3
128.04901	2.2
131.04913	0.3
132.04416	1.7
145.02808	1.4
146.05989	100.0
147.04413	0.4
147.06317	2.7
162.05498	0.8
173.08038	0.3
174.05466	11.2
177.05426	1.5
192.06514	9.2
192.08183	0.4
234.11203	0.2
246.07629	0.9
300.08652	0.5
318.09808	1.9
336.10721	1.4
509.96603	0.2
515.53131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66143	0.1
53.03876	0.6
54.81724	0.1
55.01815	0.1
55.05436	0.4
57.03360	0.2
58.58772	0.1
69.03351	1.5
70.06503	0.2
71.04901	0.6
72.08081	0.2
78.03487	0.1
79.05426	0.2
81.03338	2.9
81.06984	1.0
83.08527	0.1
85.02840	1.1
91.05387	0.4
92.54800	0.1
95.04855	0.1
97.02823	2.5
99.04399	0.8
99.07968	0.2
100.11187	0.1
107.04885	0.1
108.36253	0.1
109.02083	0.1
109.02825	4.0
109.06467	0.6
114.36855	0.1
117.03323	0.5
118.06493	0.8
124.03874	0.2
127.03887	2.4
127.07517	1.0
128.04904	2.1
132.04410	1.9
142.06554	0.2
145.02856	1.2
145.04922	0.3
146.05988	100.0
147.04391	0.4
147.06342	3.3
157.08694	0.1
160.07507	0.3
162.05479	2.1
163.05849	1.1
173.07999	0.7
174.05470	11.5
175.05748	0.2
177.05411	1.4
182.15331	0.1
192.06520	7.7
193.06793	0.1
198.14867	0.1
218.08124	0.1
234.11246	0.2
246.07652	0.2
253.10637	0.1
254.08124	0.2
264.08542	0.1
300.08578	0.8
318.09753	2.0
336.10571	0.8
388.43860	0.1
392.59406	0.1
450.16687	0.1
462.17108	0.2
498.25650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14615	0.3
55.32660	0.3
67.56921	0.3
72.08064	18.5
75.09119	0.7
76.56409	0.4
84.08056	0.9
85.52207	0.4
89.03833	8.5
112.11211	2.8
117.03321	25.7
118.03628	0.6
129.13820	2.0
134.03595	1.8
135.04379	2.1
145.02812	80.9
146.03156	2.2
146.16464	0.5
149.05946	10.9
155.11765	0.9
163.03873	0.8
177.05421	100.0
178.05751	3.3
186.05524	0.6
218.10399	0.5
233.12875	3.6
234.11192	32.9
235.11542	0.8
248.12767	1.7
251.13965	1.6
304.20062	2.8
305.18451	4.1
322.21176	19.6
323.21405	0.8
481.23346	0.6
498.25839	30.3
499.26147	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	2.5
57.07016	53.9
57.82553	1.2
61.64780	1.0
64.10332	1.1
65.23910	1.1
69.06990	2.7
71.08186	1.6
71.08549	27.2
72.13704	1.3
73.06467	6.9
74.05998	1.3
83.08542	1.8
85.10117	18.0
87.04418	2.7
88.20773	1.2
89.05955	100.0
94.94781	1.2
95.08563	1.2
97.10052	1.5
107.07024	3.0
132.98074	1.3
133.08563	25.9
177.11137	13.8
199.20705	1.3
221.13879	2.6
236.15123	1.5
243.23216	6.6
259.28159	1.5
283.17502	1.8
287.25754	4.6
327.20132	9.5
417.18887	1.9
481.37421	24.8
498.36292	2.3
499.37717	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	499.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	11.3
59.12067	0.8
67.05388	0.9
70.98039	1.2
92.10868	2.7
98.97516	9.0
102.40967	1.0
116.98579	13.8
121.10125	1.0
131.43224	1.0
131.96904	0.9
134.99626	18.0
147.04454	1.2
151.37642	0.9
153.00691	3.7
158.01180	1.0
172.64633	0.9
309.17816	1.0
313.14584	1.2
315.41147	1.0
322.81119	1.1
325.14151	0.9
347.18869	1.9
357.17212	1.6
367.21375	5.9
375.18256	2.0
393.19223	9.8
411.20465	100.0
412.20703	4.4
417.19351	2.1
429.21542	9.9
434.22009	4.3
435.20435	8.3
435.70462	1.0
446.62317	1.1
453.21500	54.0
454.21942	4.0
471.22839	1.4
476.22751	3.2
499.28537	3.7
502.77798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62457	6.5
51.11295	6.7
64.33182	8.7
70.02858	13.5
76.02130	53.3
82.02785	8.1
84.04443	61.2
86.00573	59.4
91.83083	7.5
111.14426	9.6
116.01604	18.0
133.02852	100.0
135.85530	8.3
136.03868	8.9
137.05960	39.8
142.03203	59.0
143.02739	62.9
145.06154	8.3
147.02611	10.3
149.05946	36.3
162.02150	19.2
165.05429	35.5
170.02635	10.9
177.02954	8.3
179.04825	16.4
182.04453	10.7
189.03220	77.6
193.04947	67.6
245.05804	17.8
287.85370	8.6
305.04761	10.0
308.09332	10.7
327.10150	16.1
329.71570	8.7
332.04370	9.4
337.87100	9.8
338.26373	10.6
373.01978	8.8
394.21637	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	500.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.6
54.81892	0.4
55.01808	0.5
56.76019	0.4
57.03346	0.4
65.03860	2.7
65.11508	0.4
67.05418	0.7
67.43295	0.4
69.03348	3.0
70.06504	1.7
71.04925	0.5
72.08080	1.7
73.08947	0.4
79.05413	0.4
81.02918	0.5
81.03345	6.7
84.08061	2.3
85.02839	3.7
86.09601	1.7
89.03825	0.9
91.05379	0.5
93.03323	0.7
95.04892	0.9
97.02830	4.4
98.09592	0.4
99.04402	0.9
107.04903	0.4
108.02040	0.9
109.02830	2.8
110.07140	0.5
111.04396	6.9
116.98572	0.5
117.03305	3.6
119.04903	1.9
120.48282	0.4
124.03896	0.6
125.05962	4.1
127.03889	1.0
134.05954	0.5
135.04410	0.5
141.05452	4.3
141.67238	0.4
145.02827	6.3
146.06012	5.0
146.33571	0.4
147.04393	2.6
147.06288	0.6
149.05959	1.0
151.03889	100.0
151.04965	7.0
152.04236	2.1
155.11871	0.6
162.05530	3.1
163.04007	0.5
169.04930	8.4
174.05408	0.4
175.03943	0.6
177.05428	9.6
180.08740	0.6
234.11153	0.8
261.14243	0.4
295.08032	5.0
311.82028	0.5
313.09125	4.9
314.09811	0.4
315.10172	0.5
394.73764	0.5
482.23367	0.6
500.23669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.1
54.62625	0.6
54.81262	0.8
62.51942	0.7
67.01434	1.3
67.01789	39.8
71.04898	4.4
79.05399	1.1
81.03326	8.0
83.99902	0.7
85.02828	3.4
89.03837	10.6
91.05392	1.4
99.04365	6.0
107.04887	3.7
109.02833	7.2
117.03330	20.7
119.04845	0.9
121.06461	4.8
124.03915	0.8
127.03876	59.8
135.04388	31.1
142.68178	0.7
145.02832	37.9
146.03116	1.0
146.06050	0.8
147.04503	0.7
149.05933	3.2
162.77454	0.7
163.03873	100.0
164.04208	1.7
169.13159	0.8
170.59558	0.7
177.05423	21.4
289.07028	4.8
370.44955	0.8
397.63260	0.8
400.03409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.6
55.73352	1.3
58.45941	1.2
59.06810	1.3
64.52388	1.2
67.01786	33.6
71.04907	2.2
79.05401	2.8
81.03339	7.5
85.02815	2.3
89.03844	11.6
89.70438	1.2
91.05431	1.8
92.10967	3.0
97.06489	1.2
99.04388	7.8
99.90818	1.3
103.05416	5.3
107.04948	1.6
109.02829	8.2
117.03314	18.0
127.03885	60.4
127.04788	2.8
131.04903	11.4
132.05249	1.7
133.43289	1.1
135.04396	28.2
136.04750	1.3
138.46642	1.3
145.02840	32.4
146.51584	1.2
149.05952	2.2
162.05493	2.6
163.03874	100.0
177.05458	15.7
216.30754	1.4
248.17688	1.4
289.07022	7.6
422.49353	1.6
473.99677	1.4
489.47269	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15973	0.5
58.61663	0.6
70.06514	26.9
72.05566	0.8
82.50921	0.7
94.91002	0.7
101.22187	0.7
102.64956	0.6
116.07040	31.6
116.07935	1.1
116.08208	1.0
168.70335	0.7
170.54462	0.7
185.69980	0.8
232.88965	0.7
297.28903	0.8
487.85837	0.8
501.37515	100.0
502.37878	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	502.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94818	2.6
56.96483	3.2
58.99509	16.5
59.96704	2.3
65.03860	5.3
76.01736	5.2
76.02136	76.5
84.04395	22.8
85.02837	3.3
87.36431	3.0
88.93798	2.8
111.04370	27.6
116.01594	24.9
119.04837	3.5
123.77507	3.1
125.05953	36.1
130.04951	11.4
134.05949	2.9
141.49594	3.0
142.03197	5.4
144.01089	12.8
149.01183	3.1
153.05444	100.0
162.02150	30.2
162.05417	30.3
179.04819	37.6
190.04958	3.7
195.06500	35.3
208.05984	4.7
233.05855	12.0
308.09006	34.3
407.27927	3.1
420.59848	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	502.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85134	1.7
57.96542	1.9
58.99503	11.6
65.03843	3.2
67.09962	1.8
69.01798	1.8
76.02139	78.6
76.03917	3.8
82.42963	1.9
84.04416	20.7
91.05404	4.0
92.10258	3.7
93.03291	2.5
95.07261	2.0
98.97554	2.7
111.04385	29.1
116.01604	24.0
119.04891	3.0
125.05946	41.3
130.04944	13.2
134.99692	2.8
137.05927	2.1
138.42627	2.1
142.03181	5.2
144.01114	4.8
147.31944	2.2
149.01227	3.9
153.05444	100.0
162.02179	24.8
162.05466	28.6
170.02779	3.1
172.45503	1.9
173.47359	2.1
175.78967	2.0
179.04788	27.8
195.06474	23.5
208.06041	3.5
233.05891	8.5
264.30618	2.5
268.04724	2.6
289.97177	2.4
308.09000	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	502.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	0.3
55.05444	0.3
56.04966	0.2
57.03372	2.4
60.04444	0.3
61.02848	1.2
65.03057	0.2
66.61329	0.2
69.03349	7.2
70.02850	0.2
70.06506	1.2
70.50726	0.2
71.04909	0.3
72.08054	1.0
73.02830	0.9
73.99308	0.2
75.04391	0.3
81.03329	1.8
83.04897	0.2
84.03351	0.2
84.04428	2.4
84.08076	0.4
85.02823	11.0
86.09611	0.3
87.04392	2.3
88.03916	0.4
91.05382	0.3
91.43322	0.2
97.02821	4.4
99.04380	1.1
103.05396	0.2
109.02847	1.0
110.07116	0.5
115.03858	0.5
116.04930	0.5
117.03329	0.3
119.04900	0.3
120.04474	0.2
120.08064	0.3
120.98156	0.2
127.03875	1.4
130.05000	0.7
130.06491	5.2
131.06842	3.0
133.04956	0.4
134.05988	2.0
136.07545	0.3
144.04436	1.0
144.08095	0.4
145.02818	1.2
145.04909	0.4
146.06006	1.1
147.04385	0.4
148.03880	0.4
161.04553	0.3
162.05473	100.0
163.05829	2.0
171.07585	0.3
172.76137	0.2
176.07050	0.3
177.05400	1.7
177.07394	0.3
177.73657	0.2
183.55061	0.2
186.05475	1.6
190.04959	11.1
200.07205	0.3
204.06546	4.5
208.06020	23.1
237.02896	0.2
265.15244	0.3
274.07217	0.3
282.03030	0.3
370.11282	5.3
460.05310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	1.2
55.05442	0.8
56.96500	1.1
57.03350	0.7
60.04457	1.3
65.03866	4.2
69.03352	5.6
70.02871	1.0
70.06507	13.7
72.04427	0.8
72.08082	2.8
74.02356	29.5
81.03339	10.3
83.04907	1.0
84.04423	3.0
84.08078	1.7
85.02816	5.1
86.09648	1.4
88.03912	1.2
88.07560	13.6
89.03839	1.0
91.05405	36.0
92.05714	0.9
93.03323	1.0
94.06512	0.9
97.02813	3.0
98.97535	0.9
99.04381	3.0
103.05367	0.8
105.06989	4.6
108.05714	0.7
109.02825	4.4
110.07079	0.8
115.05371	0.9
116.03406	1.1
116.07034	9.7
117.03300	0.8
118.04125	0.9
118.04971	2.8
119.04900	61.5
120.04424	1.6
120.05201	0.8
122.05981	1.4
127.03859	1.4
129.03311	1.3
130.04994	0.9
130.06604	0.8
132.02069	1.5
133.06447	3.2
134.05960	1.5
134.08099	31.5
134.09126	1.1
134.99664	0.9
136.07561	4.0
138.05516	1.1
145.02869	3.1
146.06006	4.6
147.04387	63.2
148.04677	1.3
149.02341	0.8
150.05479	42.7
157.03961	4.5
161.05971	4.2
162.05424	18.1
164.04610	1.4
168.06534	3.2
175.03874	86.6
176.04301	1.3
176.09158	2.8
177.00673	0.7
177.05437	3.2
178.08553	1.0
179.07053	3.7
180.06488	1.0
180.10132	1.1
190.04984	2.9
192.04153	1.5
207.06494	100.0
208.05849	0.8
216.34013	0.7
224.09178	5.4
242.10236	0.9
246.71567	0.8
257.03323	3.5
282.02975	1.0
351.10596	4.0
369.11758	4.3
484.17743	1.4
485.15280	1.3
495.15768	1.0
498.67111	0.9
502.18527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53871	0.6
55.05453	8.7
57.03370	16.9
57.07010	49.9
61.17179	0.6
67.05424	13.8
69.06985	10.8
71.04913	0.8
71.08545	30.0
79.05402	1.4
81.06973	16.1
82.07309	1.5
83.08540	10.4
85.10101	18.0
89.05940	3.2
93.06964	1.7
95.07955	1.3
95.08531	21.3
97.10119	5.2
98.98410	6.3
103.78961	0.8
107.08467	0.8
109.10090	7.1
111.08019	1.4
111.11681	0.8
112.17126	0.7
119.08533	1.0
120.96557	7.4
121.10165	1.1
123.11671	3.2
155.01060	1.5
155.86710	0.7
161.11745	0.8
162.05467	2.8
164.00819	3.2
172.95140	1.3
186.96758	1.0
190.96284	1.0
204.97815	2.7
239.23520	1.5
241.38760	0.8
254.78592	0.8
257.24695	3.7
295.22488	1.0
313.27307	100.0
314.27722	3.9
337.27554	0.7
397.12759	0.8
449.25879	1.1
458.23242	1.6
459.23682	3.1
461.19427	0.9
488.81836	0.9
502.27762	3.5
517.65460	1.0
529.80383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	1.2
55.05445	4.0
57.03377	10.5
57.07016	42.0
57.50492	0.6
67.05433	9.1
69.06992	7.7
71.08552	27.1
72.17686	0.6
77.90949	0.6
80.81007	0.5
81.06979	11.5
83.08544	6.5
85.09643	0.7
85.10109	12.9
89.05937	0.7
93.06954	0.7
95.07967	0.9
95.08534	13.8
97.06481	0.7
97.10098	3.0
98.98403	30.5
109.10112	7.4
116.99419	1.1
123.11639	1.0
144.29469	0.7
155.01021	15.2
173.02071	3.3
173.11742	0.8
177.43422	0.6
201.94304	0.7
227.80258	0.7
229.04594	1.0
239.23654	1.5
257.24643	1.1
266.84036	0.7
313.27319	100.0
314.27600	3.8
393.23584	1.3
449.26468	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	503.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81868	0.5
55.05441	0.4
56.96492	0.5
57.03364	0.5
67.05408	1.0
69.03339	1.0
70.06494	1.2
71.84887	0.4
72.08091	1.1
79.05409	0.4
81.03326	2.5
84.04408	2.4
84.08056	0.6
85.02823	0.9
86.09605	0.8
91.05399	2.4
93.06965	0.5
94.05988	0.5
94.06490	5.0
97.02792	2.4
106.06479	0.6
107.04884	2.1
109.02824	2.1
109.42892	0.6
110.07088	0.5
119.04897	2.6
121.06433	0.5
122.05990	5.0
127.03889	0.5
130.04955	2.0
145.02791	1.9
146.05969	8.1
147.04398	5.0
150.05476	100.0
151.05847	0.9
162.05467	25.2
168.06511	10.1
177.05432	2.0
190.04950	2.6
207.06502	1.1
208.06064	3.0
292.08667	0.5
352.10428	0.6
485.15338	2.7
503.11581	0.9
503.24557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98594	0.3
51.60997	0.3
53.03876	0.5
55.01807	1.0
55.05436	0.5
57.03361	1.8
61.02862	2.9
61.65387	0.5
64.29106	0.3
64.49945	0.4
65.47304	0.4
65.76598	0.3
67.05421	1.0
69.03346	7.0
70.06496	1.8
71.04900	0.6
72.08060	0.5
73.02815	1.9
75.10597	0.4
81.03344	4.6
84.04424	0.4
84.08039	0.9
85.02822	28.1
86.09631	0.6
87.04395	0.7
91.05362	0.8
94.06488	4.7
95.04844	0.4
97.02814	10.9
98.97507	0.5
99.04385	1.9
102.05452	0.5
103.03876	0.6
103.05391	2.2
105.06973	0.9
106.06493	1.6
107.04890	4.9
109.02842	4.7
115.05402	0.4
117.06948	0.9
119.04874	0.5
122.05965	5.1
127.03868	5.7
129.07011	0.7
130.06474	2.4
131.04941	3.1
131.08562	0.5
132.08099	0.6
132.54974	0.5
134.05984	0.9
137.05966	4.0
143.07288	2.0
144.04407	1.7
144.08060	58.8
145.02914	0.5
145.04959	4.3
145.08383	1.0
146.05989	7.1
147.04367	2.6
148.03961	0.7
150.05473	100.0
151.05833	2.5
156.08069	2.5
157.08919	0.5
158.09608	16.7
160.07520	2.8
162.05458	53.6
162.09088	24.9
162.10481	0.6
163.05905	2.7
163.07388	3.0
168.06523	9.6
168.08046	3.0
170.09529	0.7
174.09100	2.0
177.05504	0.9
182.09578	0.6
184.07544	2.3
186.09100	13.3
187.07494	0.7
190.04936	6.2
204.10173	11.6
208.06041	6.2
210.09160	0.8
224.10646	0.8
228.10281	0.6
234.09325	0.5
251.10503	0.5
252.10225	0.4
270.11096	0.9
271.45200	0.4
288.12302	4.5
306.09879	0.7
306.13245	6.7
316.08054	0.6
324.14383	3.2
334.09137	2.4
335.28650	0.4
352.10178	0.9
468.18439	1.5
485.15424	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	504.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.6
55.05439	0.2
57.03371	0.2
60.22956	0.1
61.02855	0.1
61.42128	0.1
69.03356	1.5
70.06510	0.8
70.78445	0.1
71.04914	0.2
72.08060	0.4
77.74166	0.1
81.03350	1.8
84.04419	0.2
85.02824	0.9
86.09609	0.6
91.05418	0.6
92.10907	0.2
97.02828	2.2
105.06985	0.2
106.02820	0.5
107.04881	1.3
109.02835	3.2
109.60485	0.1
110.07109	0.7
116.04916	1.3
119.04902	0.3
124.03928	1.1
127.03888	0.6
128.29584	0.1
131.08559	0.2
134.05983	3.0
137.05917	0.2
144.04422	2.2
145.02817	0.3
145.04945	0.3
146.05995	1.3
147.04387	1.3
148.03871	1.6
153.37408	0.2
162.05470	100.0
162.34216	0.1
163.05820	1.9
174.05394	0.2
177.05440	0.4
190.04947	8.6
208.06015	7.1
262.07108	0.6
268.08176	0.2
270.07620	0.7
280.08157	0.3
298.06619	0.2
316.07986	0.9
334.09286	1.3
352.10162	0.6
526.61108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.1
53.94300	0.2
55.01810	0.4
57.03374	0.7
69.03353	6.1
69.32257	0.2
70.06525	0.4
71.04903	0.6
72.08072	0.3
72.73139	0.3
73.02827	0.4
79.05415	0.9
81.03336	6.8
81.07021	0.3
84.04449	0.5
85.02827	5.0
86.09653	0.9
86.80906	0.3
91.05402	1.2
93.06945	0.4
95.04860	0.5
97.02838	5.4
98.97469	0.4
99.04373	1.2
105.06943	0.3
107.04899	57.6
108.05263	1.1
109.02834	4.4
112.02137	1.2
115.42776	0.3
116.04939	1.1
117.03313	0.3
119.04903	1.7
120.02058	0.3
120.08080	0.3
124.03888	0.4
125.32610	0.3
127.03883	3.5
134.05974	2.4
135.04390	0.5
144.04414	1.3
145.02831	1.1
145.04956	1.2
146.05965	2.3
147.04364	1.3
148.03889	1.1
153.05467	0.6
162.05470	100.0
163.03801	2.0
163.05795	2.2
175.03883	1.5
176.04297	0.3
177.05525	2.2
186.05434	0.3
190.04953	11.5
191.05171	0.3
204.06499	1.7
207.06540	1.8
208.05994	20.0
235.78761	0.3
236.11029	1.3
254.12033	1.6
272.13010	0.3
279.08606	2.6
311.14365	0.4
357.14740	2.5
370.11151	2.0
417.05789	0.3
468.97052	0.3
504.14673	0.5
527.27405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.2
55.01797	0.4
55.05452	0.2
55.45143	0.3
57.03357	0.6
57.17657	0.2
61.02843	0.3
61.43359	0.2
69.03352	3.9
70.06494	0.6
71.04903	0.6
71.91620	0.3
73.02812	0.4
79.05392	0.4
81.03335	6.8
83.61642	0.3
85.02334	0.4
85.02827	6.3
86.09601	0.3
87.04390	0.4
88.78471	0.3
89.93197	0.3
91.05410	0.4
91.60447	0.3
92.04900	0.3
92.10289	1.1
95.04849	0.3
97.02817	6.4
99.04373	1.5
100.11157	0.4
104.25912	0.3
104.38423	0.3
107.04893	59.7
108.05206	0.7
109.02814	3.6
116.04970	0.6
119.04874	0.4
124.03926	0.5
127.03873	3.3
134.05963	1.9
137.05911	1.8
144.04454	1.4
145.02821	1.9
145.04898	1.1
146.05972	4.3
147.04344	1.1
148.03909	1.5
149.05946	0.3
152.10667	5.0
153.05449	0.4
162.05464	100.0
163.05798	1.7
163.95534	0.3
166.04910	1.1
177.05417	1.9
180.10184	3.9
186.05370	0.5
190.04956	10.0
201.57120	0.3
202.30933	0.3
204.06532	2.1
208.06010	19.8
268.13681	0.3
279.08575	2.8
288.00821	0.3
306.13071	1.4
370.11237	0.7
389.81357	0.3
480.58429	0.3
483.41510	0.3
503.33191	0.4
504.14920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.7
54.81769	0.3
57.03371	0.4
57.65948	0.3
66.86465	0.3
69.03351	2.8
70.06499	0.6
76.56149	0.3
81.03338	3.2
84.04363	0.4
84.08068	0.5
85.02811	1.6
97.02813	2.3
99.04383	1.4
101.85640	0.4
109.02837	4.4
110.45170	0.3
111.09885	0.3
111.10700	0.4
127.03857	1.8
134.05957	2.5
144.04424	1.4
145.04951	0.5
146.05956	1.9
147.38052	0.4
148.03912	0.9
150.03767	0.4
162.05461	100.0
163.05838	2.1
176.55064	0.4
190.04944	8.9
208.06024	7.6
218.85098	0.4
220.80275	0.4
270.07468	0.3
316.07983	0.8
334.09119	1.9
340.40515	0.4
352.10147	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	504.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82983	0.6
52.39241	0.7
53.03877	3.6
55.01801	3.8
55.05442	1.9
57.03374	6.0
61.02854	7.4
65.93176	0.8
69.03001	1.4
69.03348	21.9
70.06504	0.8
71.01299	0.7
71.04888	5.4
73.02826	5.9
73.06461	13.5
73.45824	0.7
76.02133	2.0
81.03345	12.7
84.04428	1.8
85.02827	100.0
87.04380	1.4
90.05467	5.7
91.03890	1.1
97.02227	1.4
97.02830	30.4
99.04385	42.5
101.02330	1.0
103.03876	94.9
104.04154	1.1
109.02825	18.6
110.07061	0.9
119.04871	1.6
127.03873	95.6
137.05934	4.3
145.04939	43.2
147.04294	1.9
153.05482	1.0
162.02095	1.3
163.05978	42.1
179.04846	1.0
187.05960	3.4
205.07066	1.3
253.12737	3.3
271.08130	7.6
289.09088	4.9
307.10187	29.8
350.33630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25551	0.1
57.03381	0.1
69.03337	0.7
73.39974	0.2
79.05399	0.3
81.03345	0.2
85.02840	1.4
87.00749	0.4
91.44713	0.2
93.06964	0.9
95.04907	0.2
97.02834	0.3
101.80752	0.2
103.05402	5.3
105.01820	0.6
107.04891	1.7
115.36137	0.1
120.08059	100.0
121.08398	1.3
127.03879	0.7
131.04893	2.9
143.37590	0.2
149.05948	1.5
166.08601	24.6
167.09001	0.3
190.19789	0.2
303.10623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09126	0.5
53.03882	0.6
55.01809	1.4
56.96518	0.5
57.03364	3.0
61.02851	0.8
65.42803	0.5
69.03355	12.0
70.06492	1.2
71.04904	0.9
73.02831	1.0
73.28175	0.5
79.05378	0.6
81.03338	4.0
84.04454	0.8
85.02836	16.5
87.04383	0.8
91.05428	4.5
92.04928	7.3
92.10251	1.3
97.02829	7.6
99.04389	3.0
100.11175	0.8
101.02303	1.0
107.04877	1.1
107.08615	0.8
109.02830	3.5
115.03789	0.7
115.05408	0.7
117.06947	0.8
117.70789	0.6
119.04855	1.0
124.03910	0.8
127.03897	7.7
138.56064	0.7
145.02798	1.2
146.05994	3.9
147.04388	1.4
152.10689	100.0
153.11053	2.5
162.05484	3.7
175.03844	0.7
177.05458	3.4
180.10168	93.8
181.10486	0.9
207.06480	2.4
222.11237	3.3
248.38963	0.6
262.09296	0.6
282.02808	2.9
288.12186	2.8
291.17065	0.6
294.04236	0.6
306.13306	8.0
324.14404	4.8
342.15436	39.7
356.84348	0.7
442.17764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	13.0
55.05225	1.5
55.05449	27.9
57.03363	2.5
57.07000	3.0
65.03845	1.4
67.05426	42.5
68.43826	1.1
68.99704	11.4
69.03335	5.4
69.06984	40.6
70.56341	1.0
71.04903	1.7
71.08528	2.4
79.05019	1.7
79.05407	27.9
81.03341	8.9
81.06512	1.6
81.06971	38.7
83.04882	7.4
83.08550	11.8
85.06445	1.8
91.05408	19.2
93.06971	39.8
95.04875	9.1
95.08527	37.2
97.02856	1.3
97.06466	11.1
97.10097	14.1
99.07996	2.1
101.89555	1.5
105.06988	12.2
107.08529	20.7
109.06451	3.1
109.10125	23.4
111.00758	4.6
111.07990	1.9
111.11672	2.2
114.36663	1.3
117.06967	2.2
119.08533	18.0
121.10092	22.8
123.08034	10.2
123.11639	2.4
125.09585	6.7
127.76810	1.5
129.01801	16.5
129.06943	1.5
131.08531	2.3
133.10103	12.4
135.08040	1.9
135.11642	9.5
137.09595	23.8
139.00227	4.9
139.11171	11.3
145.10120	2.3
147.08066	1.6
147.11629	6.7
149.13199	7.0
151.11143	8.8
153.12677	1.6
159.11623	2.1
161.13170	5.3
163.14713	2.2
165.09006	1.4
165.12708	2.9
167.14246	2.2
173.11661	1.6
175.14726	1.6
179.14247	1.8
181.12152	2.0
183.02786	2.5
185.13132	2.2
189.11171	5.9
221.15273	1.9
231.21028	2.9
241.19214	1.6
249.22043	11.4
259.20450	4.7
267.67062	1.3
277.21564	54.2
295.22604	100.0
296.23260	1.8
313.23624	12.2
327.84818	1.4
405.22565	9.6
423.23703	18.2
433.21774	1.8
441.24500	2.2
451.23022	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	505.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.3
55.05445	0.3
57.03371	0.6
61.01086	4.3
61.02890	0.4
69.03348	1.9
70.06509	1.6
71.04886	0.5
72.08080	1.2
73.02841	0.5
75.02612	2.4
75.29029	0.3
76.79060	0.3
81.03348	2.3
84.04409	0.7
84.08057	0.5
85.02832	2.6
88.27074	0.3
97.02823	3.9
98.97519	0.4
99.04395	0.6
109.02829	2.6
110.07156	0.5
111.65591	0.3
116.42719	0.3
124.03944	0.5
127.03899	2.5
130.06500	0.5
131.04903	0.3
134.05991	0.7
136.06165	100.0
137.04549	0.4
137.06516	1.3
145.03036	1.5
146.05991	8.0
147.04359	1.1
148.03889	0.7
161.27722	0.3
162.05473	60.7
163.04024	2.0
163.05795	1.3
174.05482	0.5
177.05421	0.6
190.04947	4.7
192.06538	0.4
208.06038	4.8
270.07324	0.3
272.73898	0.4
298.09647	13.3
316.08096	1.6
334.09189	2.5
352.10208	1.7
355.38687	0.3
375.70627	0.3
452.15054	0.4
454.60028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45446	0.4
53.03870	0.8
55.05438	0.6
56.04968	0.8
57.03365	0.8
65.03868	0.8
69.03345	4.4
70.06509	3.5
71.04910	0.6
71.95021	0.4
72.08054	2.2
73.02837	0.9
77.03819	0.5
81.03329	5.9
82.11583	0.4
83.04892	0.7
84.04404	0.6
84.08057	4.4
85.02826	5.0
86.09609	2.9
89.03822	1.1
89.79449	0.5
91.05405	35.9
92.05710	0.6
95.04858	0.8
95.94090	0.4
97.02818	4.5
98.09625	2.6
100.07551	0.6
101.05980	0.6
103.05412	0.7
106.02864	1.9
107.04897	4.5
108.05219	0.6
109.02806	2.3
110.07102	2.7
110.09604	0.7
117.03299	1.8
119.04894	61.6
120.05709	6.8
121.02832	0.7
124.03883	2.6
127.03802	0.6
129.71213	0.5
130.04132	0.6
131.04875	0.5
132.02065	1.0
133.02832	0.7
135.04344	0.8
136.05107	0.6
145.02768	3.5
145.04939	0.5
146.03606	3.0
146.05978	1.9
147.04384	52.6
148.04729	0.9
149.02289	1.0
150.05464	4.5
151.05797	2.2
153.10173	2.9
155.11713	1.0
157.03934	4.5
162.03261	0.5
162.05458	14.7
163.03902	0.8
163.05835	4.5
164.04623	0.9
168.06554	0.5
175.03870	72.0
176.04324	1.8
177.05357	1.1
179.06979	5.9
181.04953	1.9
190.04939	1.0
191.05321	0.6
192.04170	1.1
203.09207	0.5
205.99471	0.4
207.06490	100.0
208.06073	0.9
209.06329	0.5
212.16451	0.5
219.01605	0.6
235.85660	0.4
237.02957	0.5
265.08533	10.2
268.47250	0.5
282.02597	0.9
290.08389	0.6
292.09628	0.6
324.08810	0.6
351.10812	3.3
369.11801	5.7
386.10590	0.5
419.19547	2.5
462.23657	1.9
505.27982	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	505.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12123	0.2
52.84473	0.2
53.03877	0.9
54.55043	0.2
55.05442	0.6
56.04964	0.2
57.03350	0.3
61.01068	0.2
68.06429	0.2
69.03356	2.5
70.06518	2.0
71.04901	0.6
72.08075	0.4
72.14046	0.2
73.73412	0.2
75.12632	0.2
76.05865	0.2
78.94955	0.2
81.02959	0.2
81.03342	3.5
83.04896	2.0
84.04406	1.4
84.08047	0.4
85.02819	2.4
91.05375	0.3
97.02806	2.4
99.04352	1.8
101.05938	0.4
102.04144	0.3
104.99306	0.2
109.02834	3.9
110.07086	0.6
116.04893	0.9
119.04883	0.9
124.04037	0.3
125.83729	0.2
127.03859	3.4
130.06482	1.2
130.10374	0.2
134.05956	1.7
136.06148	5.3
144.04459	1.8
146.05974	20.7
147.04369	2.4
148.03889	1.1
154.04950	1.4
162.05460	100.0
163.05855	2.2
174.05453	2.7
177.05374	0.4
190.04959	9.8
192.06476	1.8
206.02733	0.3
208.06029	7.1
219.01764	0.3
230.28693	0.3
238.03653	0.3
270.07486	0.3
282.02731	0.4
290.10098	0.4
298.09747	0.5
316.08090	1.3
318.09628	0.4
321.77576	0.2
334.09134	4.5
336.10699	1.0
352.10178	3.3
386.51434	0.3
452.15128	2.6
470.16388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.4
55.05441	2.2
56.04955	0.6
60.04449	1.8
60.96847	0.3
65.03864	0.5
66.55838	0.4
69.03333	2.1
70.06507	8.5
71.69712	0.3
72.07786	0.3
72.08075	5.0
73.02819	0.7
74.05978	0.7
79.76256	0.4
81.03335	3.1
84.04438	3.9
84.08064	6.2
84.11020	0.3
85.02831	2.7
85.03953	0.4
86.05987	1.4
86.09604	0.7
91.05407	5.2
92.10838	0.5
97.02837	3.8
97.20813	0.3
98.03122	0.6
99.04383	0.8
102.05457	0.6
107.92635	0.3
109.02830	0.7
110.07096	0.6
116.07029	0.5
117.70293	0.4
119.04900	20.3
120.05232	0.4
121.02831	4.7
122.03103	0.6
127.03873	0.8
129.10194	3.3
134.05972	0.5
145.02832	1.3
145.20682	0.4
146.05992	0.5
147.04390	100.0
148.04723	1.8
152.07034	1.8
162.05396	0.5
163.03891	1.8
163.24579	0.4
165.05428	3.1
169.04944	0.4
170.08020	0.7
171.06493	0.4
177.05446	1.7
177.76231	0.3
185.04398	0.6
195.90871	0.4
200.76514	0.4
231.03217	2.0
256.91299	0.4
283.49701	0.4
291.08554	1.8
309.09552	7.7
310.09988	0.4
380.61880	0.4
402.27856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81766	0.4
55.01798	0.7
55.05451	2.7
56.04969	1.2
57.03371	1.6
60.04461	3.3
62.41943	0.2
63.06783	0.3
65.03853	0.3
69.03350	5.2
70.06139	0.5
70.06509	12.5
70.06894	0.4
71.04895	0.5
72.08069	7.4
72.85122	0.3
73.02804	0.5
73.08396	0.4
74.05992	1.6
74.34750	0.2
75.05523	0.3
81.03341	3.6
83.04888	0.3
84.04425	4.2
84.07599	0.4
84.08073	8.5
85.02827	5.3
85.08414	0.5
86.05984	1.7
86.09628	1.1
88.77539	0.3
90.05503	0.4
91.05399	5.2
92.10238	0.6
97.02826	7.4
97.07594	0.4
98.05985	0.4
98.97518	0.3
99.04381	2.1
101.07053	0.6
102.05455	0.7
109.02808	2.2
110.07111	0.6
112.08717	0.6
113.07124	0.4
114.37566	0.3
115.03874	0.4
115.08675	1.2
116.07056	1.4
117.03336	0.3
119.04893	19.2
124.03874	0.3
127.03870	4.9
129.10205	4.6
136.07558	0.7
139.03897	0.4
141.06593	0.3
145.02879	0.4
145.04967	1.0
146.06020	0.4
147.04388	100.0
148.04726	3.3
149.06006	0.5
152.07068	0.4
155.08115	0.4
162.05475	0.6
163.03842	0.6
165.05420	2.6
172.57597	0.3
177.05455	1.2
212.10243	0.4
269.13443	0.6
291.08618	2.4
309.09628	12.5
310.09900	0.4
327.10803	0.5
330.66751	0.5
393.13400	0.3
430.86371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	3.5
55.01793	3.1
56.96521	0.7
57.03372	6.8
59.04936	0.6
60.04467	0.7
61.02857	12.2
62.06017	0.6
64.70525	0.6
67.11530	0.5
69.03343	21.9
70.06509	1.5
71.04897	3.0
73.02804	3.2
80.04922	7.3
81.03328	9.2
83.01298	0.7
83.80025	0.6
84.04405	1.5
84.08045	0.7
85.02824	100.0
86.03130	0.7
87.04376	2.8
91.03866	3.8
91.05396	3.5
97.02820	29.1
98.97549	0.7
99.04367	3.9
101.02299	0.8
103.03838	0.8
109.02826	8.5
110.07079	0.7
115.03896	1.0
116.51196	0.6
119.04868	12.7
120.04406	1.4
127.03880	20.5
129.24979	0.6
135.42828	0.6
136.03918	4.9
145.02835	3.1
145.04933	23.6
146.05879	0.8
147.04382	75.9
148.03824	5.8
148.04918	1.0
162.05423	5.5
162.07463	0.9
163.05969	8.1
164.03387	25.7
165.05431	28.6
166.04909	7.4
177.05418	4.4
182.04390	3.8
184.05957	2.9
195.06541	0.7
240.03151	3.6
309.09430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23092	0.3
52.83971	0.3
55.05447	0.8
56.04966	0.5
57.03363	0.6
58.75091	0.3
59.19381	0.3
59.60463	0.4
60.08098	10.3
67.05417	2.5
67.63345	0.3
69.06980	0.5
71.07296	4.5
79.05397	0.7
81.06963	1.7
85.92270	0.4
86.09628	53.8
93.06918	0.5
95.08527	1.7
96.26783	0.4
98.98394	4.7
99.78706	0.4
104.10019	0.4
104.10692	11.2
107.08525	0.5
109.10110	0.5
124.99964	38.1
150.31987	0.4
158.33948	0.4
184.07310	100.0
185.07664	0.9
447.18832	0.8
497.50409	0.5
506.32309	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	2.8
56.04967	0.8
57.03377	0.5
57.07024	0.4
58.06528	0.7
60.08096	25.1
67.05428	6.3
69.06995	2.2
70.06530	0.5
71.07288	9.9
79.05408	2.2
81.06973	7.0
83.08548	0.9
86.09630	81.3
87.09949	0.5
91.05402	1.6
93.06976	2.1
95.08524	5.1
98.98400	5.5
104.10682	99.5
105.06989	0.5
105.11031	0.6
107.08542	0.9
109.09408	0.4
109.10118	1.8
119.08553	0.7
121.10072	0.4
124.65113	0.4
124.99964	47.8
126.76733	0.4
143.01041	0.5
163.01556	0.7
172.95230	0.7
184.07309	100.0
185.07727	0.4
190.96175	0.7
235.20549	0.4
258.11053	0.5
323.25757	0.7
488.31357	5.8
506.32358	25.9
507.32748	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	506.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71738	0.3
53.62426	0.3
55.05452	2.6
56.04971	0.5
57.03373	1.2
57.05751	0.7
57.07018	2.5
59.06053	1.4
67.05431	5.7
69.06985	2.6
70.06513	3.1
71.08538	1.5
72.08070	100.0
72.25217	0.3
73.08387	0.6
79.05413	1.4
81.06982	4.7
83.08559	1.7
85.10110	0.6
90.09101	2.7
91.05433	0.4
93.06989	2.0
95.04859	0.4
95.08534	4.1
97.10106	0.3
102.95800	0.3
105.07004	0.4
107.08543	0.6
109.10107	1.8
121.10137	0.4
123.11677	0.5
133.10136	0.4
170.05728	3.6
176.99219	2.0
195.00261	3.6
238.00221	0.4
243.21397	0.3
263.33466	0.3
313.27277	3.3
337.27289	12.6
338.27893	0.6
355.87238	0.4
415.21933	0.5
428.08633	0.4
488.31351	2.8
506.32016	2.8
507.26785	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	507.2717
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03888	1.6
55.05454	24.0
57.03369	25.6
57.03623	2.3
67.05427	78.5
68.14471	1.7
69.06986	18.5
71.62320	1.7
74.36452	1.5
79.05405	45.3
81.06975	61.7
83.08517	10.4
85.06432	1.9
91.05387	20.7
92.39262	1.5
93.06967	48.2
95.04893	3.9
95.08533	44.0
97.06438	2.5
98.19173	2.0
98.98405	18.2
99.65250	2.3
105.06979	12.9
107.08534	19.1
109.10146	15.0
111.08057	1.9
117.06940	3.0
119.08514	8.1
121.10099	12.9
127.65627	1.9
131.08485	4.0
133.10120	7.5
135.11632	4.4
145.10120	2.7
151.11102	2.8
166.25308	1.7
285.71295	1.8
329.58850	2.1
335.25723	100.0
475.78281	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.6
55.05454	24.0
57.03369	25.6
57.03623	2.3
67.05427	78.5
68.14471	1.7
69.06986	18.5
71.62320	1.7
74.36452	1.5
79.05405	45.3
81.06975	61.7
83.08517	10.4
85.06432	1.9
91.05387	20.7
92.39262	1.5
93.06967	48.2
95.04893	3.9
95.08533	44.0
97.06438	2.5
98.19173	2.0
98.98405	18.2
99.65250	2.3
105.06979	12.9
107.08534	19.1
109.10146	15.0
111.08057	1.9
117.06940	3.0
119.08514	8.1
121.10099	12.9
127.65627	1.9
131.08485	4.0
133.10120	7.5
135.11632	4.4
145.10120	2.7
151.11102	2.8
166.25308	1.7
285.71295	1.8
329.58850	2.1
335.25723	100.0
475.78281	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03861	1.1
55.01805	2.5
55.05444	10.9
57.03377	1.4
57.07001	5.6
58.99512	4.5
59.04940	1.1
67.05421	28.1
69.03351	2.3
69.06976	6.4
71.04899	1.9
71.08540	16.0
72.08081	1.6
76.02136	18.1
79.05396	9.7
81.03324	16.0
81.06969	11.2
83.04895	13.4
83.08530	6.4
85.03911	1.3
85.06463	2.4
86.98915	1.1
88.02154	1.0
89.03893	1.1
91.05386	9.1
93.06967	12.6
95.04893	20.1
95.08530	12.5
97.06441	1.9
97.10086	5.7
99.08009	8.1
101.36295	1.0
105.06972	4.4
107.04887	1.2
107.08544	5.8
109.06469	1.7
109.10100	20.7
113.12795	1.1
116.01621	7.1
117.03313	1.3
117.06953	1.7
119.08511	4.6
121.06441	2.2
121.10078	1.6
124.03979	1.1
125.09617	1.6
130.04921	1.3
131.08519	4.9
133.10051	2.4
137.09552	2.5
139.11147	20.3
140.06865	1.2
141.09135	2.1
144.01125	4.8
145.02780	2.1
147.04457	1.4
149.13251	1.2
151.11153	100.0
152.11569	1.5
155.10699	1.9
159.11670	2.6
161.09608	2.0
162.02150	9.4
165.12729	1.9
173.11676	13.7
177.03389	1.1
177.05330	2.3
177.12698	8.1
179.04819	9.7
182.98476	1.1
229.19339	1.3
257.18817	1.6
275.19949	6.8
293.21033	90.2
294.21454	3.7
345.09473	1.7
449.49469	1.0
489.26001	2.1
507.28293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	1.5
53.03878	4.0
54.81424	1.7
55.01810	14.9
55.05184	2.7
55.05447	53.9
57.03360	3.7
57.07001	4.2
65.03876	1.8
66.74487	1.6
67.05083	3.2
67.05425	79.5
69.06988	39.0
70.18499	1.8
70.30273	1.8
71.04888	7.8
71.08549	30.0
77.00790	1.7
79.05408	56.5
81.03326	8.5
81.06974	100.0
83.04889	11.3
83.08535	30.5
85.06454	3.9
91.05402	52.6
93.06971	60.5
95.04897	14.6
95.08526	52.8
97.06471	15.3
97.10075	14.7
99.00901	2.0
99.08015	14.0
105.06970	40.7
107.04867	2.2
107.08536	35.9
109.06451	7.5
109.10087	21.3
111.08015	4.4
111.62150	1.9
113.09534	1.9
117.06966	12.6
119.08522	36.4
121.06452	3.7
121.10097	27.9
123.08018	4.2
123.11658	11.5
125.09572	4.3
129.06932	11.2
130.07817	1.8
131.08501	22.9
133.10069	20.2
135.08002	3.8
135.11641	13.1
137.09499	2.7
137.74817	2.0
139.11201	3.0
143.08516	8.7
145.10115	14.6
147.08031	3.0
147.11658	21.4
149.13205	7.7
151.11163	29.2
155.08566	4.0
157.10107	7.3
159.11665	4.4
161.13220	9.9
163.11221	7.1
165.12741	9.6
169.10143	2.4
171.11607	8.6
173.11729	2.6
173.13127	2.2
175.14824	2.7
177.12738	7.6
179.14276	3.1
183.11678	2.4
185.13211	2.4
187.14804	3.3
195.11555	2.7
195.13721	3.9
213.09631	2.6
215.11267	3.4
231.10725	2.4
243.14359	4.3
253.12784	3.1
257.12305	2.0
271.13852	12.1
272.14185	2.3
277.21539	48.1
295.22586	31.6
317.24677	2.7
335.20441	10.3
336.21054	4.2
342.10983	2.2
352.80679	2.1
353.21494	10.3
355.26181	2.9
371.22604	8.5
375.25305	3.0
453.33588	8.4
471.34467	16.0
489.35828	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64794	3.6
53.03885	7.2
55.05439	29.6
57.07001	4.9
64.33509	5.1
67.05428	74.0
68.86098	4.8
69.06991	32.6
69.33347	4.3
70.14288	4.2
70.96310	4.0
71.08541	18.7
73.86424	4.3
79.05410	31.9
81.03334	45.7
81.06973	47.5
83.04915	15.4
83.08534	7.9
85.06440	5.6
91.05400	24.6
93.06973	59.3
95.04895	29.8
95.08517	52.8
97.06429	8.4
99.08006	7.6
105.06985	8.5
106.54570	4.4
107.08524	28.6
109.10100	26.5
117.07011	7.3
119.08521	9.5
121.10070	27.1
123.02377	17.5
123.11712	5.8
126.46339	4.5
133.10123	18.2
135.11613	6.2
137.09593	27.4
149.13210	4.8
151.11116	25.2
177.00670	4.4
234.54626	5.3
245.87093	5.2
277.21567	92.7
295.22675	100.0
316.51883	5.5
507.26730	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	507.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02325	0.9
53.00251	1.8
53.03888	10.0
55.01807	8.5
55.05450	30.6
57.03367	6.1
57.07003	9.4
65.03869	1.7
67.05426	68.5
69.03335	6.9
69.06983	28.0
71.04903	5.7
71.08549	19.3
71.15594	1.3
77.58624	1.0
79.05411	39.9
81.03338	43.2
81.03783	2.5
81.06976	48.3
83.04887	11.2
83.08548	8.2
85.06461	4.4
85.10092	1.5
88.07399	1.5
90.89164	1.1
91.05407	22.6
93.06976	51.5
95.04897	29.2
95.08530	33.2
95.67238	1.0
97.06450	9.4
97.10101	6.9
99.08031	7.1
105.06967	16.3
107.04861	1.2
107.08540	22.1
109.06470	7.0
109.10101	26.1
113.09617	1.3
117.06995	4.4
119.08539	15.7
121.10089	21.5
123.08009	2.2
123.11647	4.4
125.09534	1.6
129.07005	1.4
131.08527	6.1
133.10132	10.1
135.08041	1.7
135.11681	9.5
137.09586	19.6
139.11174	4.4
143.08572	1.4
145.10022	2.4
147.11682	8.0
149.09636	1.3
149.13246	6.3
151.11153	22.8
159.11691	2.3
161.13269	4.7
163.11110	2.6
163.14841	1.7
165.12737	5.8
167.14287	1.2
175.14807	1.9
179.14252	2.5
185.13254	4.9
199.14706	1.5
221.15356	4.4
241.19472	1.7
249.22017	2.6
259.20581	2.0
277.21555	90.6
278.21893	4.5
295.22620	100.0
296.22958	5.4
329.78711	1.3
441.65155	1.3
477.04767	1.3
507.27115	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	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	5.8
54.81421	2.2
55.01806	15.1
55.05449	44.5
56.64811	2.0
57.03370	3.8
57.07006	5.7
57.34628	2.0
58.02980	2.4
59.04918	2.5
60.10209	2.1
63.53993	1.8
67.05428	84.5
69.06991	47.4
71.04905	10.1
71.08551	5.3
72.08044	3.0
72.36304	2.3
76.00919	2.1
79.05404	53.6
81.03327	10.7
81.06974	100.0
83.04903	12.3
83.08550	17.4
83.46583	2.2
85.06462	3.4
90.39423	2.6
91.05409	40.9
93.06966	77.8
95.04889	15.7
95.08527	56.4
97.06457	11.2
97.10086	3.8
101.02856	2.2
105.06986	19.9
107.08527	34.8
108.08916	2.4
109.06448	4.9
109.10098	16.8
110.07123	3.2
111.08038	3.6
117.06960	13.3
119.08528	20.0
121.10101	21.7
123.08006	10.1
123.11662	4.3
126.87543	2.5
131.08549	11.4
133.10097	16.1
135.11659	14.0
137.09575	19.5
139.11147	5.2
143.38554	3.1
147.11681	10.4
149.13219	18.9
151.11139	4.3
159.11646	9.3
161.13245	4.9
165.12700	2.9
177.12683	9.2
195.13747	11.5
201.52058	2.5
212.65872	2.7
236.11157	2.2
249.22127	9.7
259.20575	5.1
277.21600	52.1
295.22629	45.4
506.44095	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	508.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21735	0.1
54.81992	0.1
55.05466	0.1
69.03337	0.2
69.68891	0.1
78.97870	0.1
79.05418	0.6
79.13287	0.1
83.04905	0.2
85.02826	0.9
91.05387	0.5
93.06960	1.1
95.04881	0.1
97.02840	0.3
103.05395	4.9
107.04897	1.8
120.08049	100.0
121.08392	2.0
124.03938	0.1
127.03862	0.2
131.04880	3.1
145.04942	0.2
149.05957	1.4
166.08588	26.9
167.07469	0.1
167.08900	0.8
202.51775	0.1
207.06476	0.1
217.92000	0.1
348.67920	0.1
408.42487	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	508.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90628	1.9
52.53080	1.9
53.03876	3.3
54.81821	2.5
55.05442	21.4
57.03365	6.1
60.04423	2.0
61.01075	38.2
61.02839	10.8
67.05418	4.6
69.03350	24.2
70.06495	5.4
70.60288	2.6
71.04873	3.3
73.02799	2.5
81.03328	10.0
83.04887	64.7
84.04412	10.5
85.02351	3.8
85.02825	100.0
85.78857	2.6
87.02600	11.6
95.04842	2.6
97.02822	28.3
97.72113	2.5
101.05940	71.5
103.05700	5.3
109.02828	10.6
116.98582	3.4
119.04852	4.5
120.08035	4.1
123.04352	4.1
127.03835	13.3
131.05212	17.6
137.05991	2.9
145.04932	12.3
147.04373	4.5
149.06270	98.3
167.07341	67.4
175.03889	5.4
207.06555	3.9
231.71646	2.8
250.51184	2.4
464.71674	3.1
502.28549	2.9
508.20010	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	508.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	1.2
56.04953	0.3
57.03372	0.3
57.06996	0.4
58.06533	0.4
58.38673	0.3
59.06072	2.5
60.05574	3.4
60.08095	10.1
67.05418	1.5
69.06979	1.5
71.07288	3.5
72.08038	0.3
79.05415	0.5
81.06978	1.2
83.08547	0.4
86.09631	45.0
87.09931	0.3
95.08529	0.7
98.98392	4.3
104.10695	4.1
107.08502	0.4
112.99928	0.4
124.99966	35.8
133.75966	0.3
143.01025	0.3
184.07306	100.0
185.07629	0.7
325.27240	0.4
337.27325	0.6
339.28125	0.5
366.90564	0.3
398.58661	0.3
444.75946	0.3
490.32809	0.7
508.27237	0.4
508.33838	3.6
509.20285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	3.1
56.04968	0.8
57.03378	0.7
57.07001	1.6
58.06525	1.0
60.05574	1.5
60.08092	27.5
66.65301	0.7
67.05413	4.4
69.06990	7.5
71.04884	0.7
71.07291	10.3
79.05392	3.4
81.06964	5.4
83.08524	3.7
86.09625	78.1
87.09935	1.1
88.76669	0.7
91.05403	0.9
92.64334	0.9
93.06963	4.3
95.08533	6.3
97.10093	1.2
98.98389	5.6
104.10677	100.0
105.07001	1.0
107.08517	1.6
109.10119	0.8
120.85349	0.9
121.10092	4.3
124.99957	46.4
135.11655	1.9
177.05455	1.0
184.07303	96.0
185.07599	0.9
211.64392	0.8
225.23363	0.8
237.22054	3.1
246.81905	0.8
311.25647	0.9
428.41068	0.9
490.32828	6.6
508.26419	8.5
508.33716	28.4
509.20407	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24654	2.6
51.40831	3.0
51.77494	2.7
53.03876	7.2
55.05450	22.3
57.03367	3.4
57.07017	100.0
67.05440	33.6
69.03349	50.3
69.06987	27.4
71.04914	4.2
71.08545	63.5
73.06446	4.3
74.96082	3.8
78.63128	3.2
81.03339	61.2
81.06967	38.3
83.08540	23.8
85.02832	52.4
85.10094	32.9
87.00835	3.5
93.06970	7.4
95.04869	3.6
95.08546	45.3
97.02826	33.2
97.10093	14.2
98.24829	4.3
99.04375	15.7
107.08581	6.4
109.02853	36.0
109.10142	27.8
112.87980	4.3
123.11654	8.4
127.03875	33.1
145.04825	4.6
176.24141	3.9
239.23695	37.0
257.24808	4.5
290.09506	3.6
351.67487	3.6
383.27817	27.0
401.28903	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	508.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22044	1.9
52.81640	2.1
55.05449	4.1
59.04935	100.0
67.05448	3.6
69.06994	11.8
73.70706	2.3
79.05406	5.2
81.06967	18.3
92.10497	10.0
93.07005	2.7
95.08514	6.0
105.90427	2.5
107.08571	4.6
228.33003	2.7
257.47110	2.8
310.30939	3.2
469.00647	2.3
524.80072	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81355	3.0
55.05441	15.5
58.71135	3.3
62.88120	2.8
64.26006	3.8
67.01954	3.4
67.05406	18.4
69.06977	21.2
71.04887	19.1
79.05403	8.0
81.06963	30.9
83.08523	6.5
91.05418	14.6
93.06992	27.0
93.07502	3.7
95.08536	36.8
97.10104	4.3
105.06962	26.8
107.08527	58.5
109.10125	36.8
119.08541	39.0
120.08031	8.8
121.10078	23.2
123.11610	14.5
125.09578	4.5
127.10281	3.9
127.11118	33.5
131.08502	21.6
133.10088	25.1
135.07959	4.6
135.11641	22.8
136.07516	6.7
142.07761	4.7
143.08499	27.9
145.10141	35.4
147.11647	30.1
149.13222	5.3
155.08556	8.4
156.09322	4.2
157.10048	30.5
159.11650	41.8
161.13211	39.1
165.12547	6.2
169.10057	8.2
170.10863	19.0
171.11598	18.8
173.13187	32.7
175.14751	18.8
177.12759	5.1
179.14259	23.1
183.11674	61.8
185.13225	100.0
187.14742	19.1
189.16312	5.0
197.13248	9.3
199.14771	18.5
203.14278	16.2
209.13237	7.9
211.14755	18.9
223.14893	5.4
225.16229	6.0
251.20586	4.5
263.17993	4.4
273.22211	3.7
280.11807	3.9
280.21823	3.6
401.31528	6.0
407.32898	35.0
419.32950	20.1
425.33929	55.4
437.33847	20.7
443.35043	76.7
444.35168	4.3
455.34906	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	509.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41019	1.6
54.54403	1.5
55.05437	2.6
56.96492	16.3
61.38744	1.7
70.06512	3.1
76.57417	1.7
86.09631	2.2
86.67004	2.0
91.05370	2.4
92.10849	3.1
105.05953	1.9
116.98547	2.5
134.33221	1.8
188.91545	1.9
197.01244	3.5
208.00516	2.7
209.01173	2.5
210.02029	10.9
211.02795	3.6
213.04382	4.6
215.02313	2.2
220.02852	9.7
221.01285	10.0
222.01886	2.6
223.02750	8.5
228.03091	9.0
235.01453	29.6
235.99867	12.1
237.00659	26.8
238.01442	11.0
238.03667	6.1
239.02101	3.3
241.03806	2.1
248.79121	1.9
250.03825	7.5
253.02478	52.8
254.00978	11.0
255.01544	21.0
256.02518	7.3
256.04980	3.5
262.56488	2.4
265.02649	2.9
267.03949	2.2
268.04810	15.2
274.07346	2.6
286.06110	9.8
292.08435	14.5
304.08447	3.9
305.07971	4.3
306.06409	16.4
307.07208	11.3
322.09561	17.3
324.07498	8.3
325.08420	15.1
335.09259	3.3
337.10938	3.2
416.10403	9.2
434.11417	38.9
449.13770	13.8
452.12424	28.3
457.13174	2.4
467.14844	56.1
470.13412	4.6
485.15921	66.0
509.15933	100.0
510.15784	2.6
527.16772	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48957	1.1
50.68535	1.1
55.05436	7.3
56.54428	1.1
60.08096	1.7
72.07668	2.9
72.08071	86.9
73.08344	1.4
91.05380	8.7
92.10306	2.0
104.10711	3.1
119.04903	9.6
120.08056	94.8
136.07552	100.0
138.69246	1.3
171.14865	8.9
172.95253	1.2
174.12759	3.1
179.64932	1.3
184.07291	5.2
193.02194	1.4
199.14375	5.0
219.14919	17.7
235.14424	6.3
235.45818	1.5
247.14383	9.1
263.13593	4.4
283.14441	11.5
305.97644	1.3
311.13876	8.0
346.21262	8.2
362.20712	2.6
381.13589	1.7
410.20587	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	509.2757
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
51.24197	0.6
53.19756	0.5
58.06264	0.7
58.06531	11.7
68.99697	1.0
69.74247	0.7
70.06505	1.7
72.08063	8.8
75.09146	1.3
81.03304	0.7
84.04445	1.2
84.08063	43.9
85.02843	2.7
89.03853	0.9
91.05383	0.8
94.14313	0.7
98.09622	1.2
110.09618	3.9
112.11186	100.0
113.07059	1.3
113.11482	0.7
116.32956	0.8
117.03329	6.6
121.02814	4.6
126.05505	0.9
129.13829	53.2
133.02814	3.5
135.04352	1.1
141.54330	0.8
145.02802	14.9
146.03613	15.5
147.04288	0.8
155.11745	6.0
162.05507	1.5
181.06473	1.2
197.05994	0.9
209.05974	1.4
209.07932	1.7
211.07622	1.1
219.08900	1.2
237.05440	3.9
239.04854	0.7
239.06944	5.8
264.06561	1.5
265.04895	17.0
267.06418	9.0
274.45908	0.8
281.07993	3.3
282.02945	0.8
285.07584	1.4
307.05957	23.4
319.05875	1.0
322.10672	1.3
325.06927	1.1
363.13031	1.5
364.11691	41.5
366.13135	1.4
409.20273	0.8
421.17493	1.1
435.18918	11.9
492.24649	5.1
509.27463	92.3
510.27936	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	509.2767
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
50.05284	0.6
53.03917	0.6
53.69257	0.6
55.74524	0.7
56.04971	1.0
58.06535	12.2
59.56834	0.7
62.51815	0.7
64.33650	0.8
69.06981	1.5
70.06503	6.8
70.89350	0.7
72.08064	10.0
79.05434	0.8
81.03345	1.2
84.08069	78.3
85.08385	1.3
86.09634	1.4
91.05404	4.2
92.10870	1.9
97.02827	1.7
98.05989	3.6
98.09624	27.3
100.07542	5.9
107.04913	9.7
109.02844	1.5
110.09651	4.6
112.07566	1.4
112.11196	100.0
113.07061	1.0
117.03303	1.3
119.04890	8.1
120.05701	1.1
121.06554	0.8
124.03964	1.1
127.03869	0.8
129.10175	0.8
129.13840	31.2
129.14735	1.3
133.02820	1.8
134.05988	1.1
135.04430	1.2
136.07605	1.0
140.07021	5.9
145.02882	3.7
146.06000	4.9
147.04391	36.1
147.05492	1.6
149.05939	0.9
153.10287	1.2
155.11780	6.8
162.05479	38.6
163.03835	6.4
163.05835	1.1
168.06554	4.0
178.04985	5.0
188.07050	4.8
190.05020	4.3
204.10188	21.8
208.06059	3.3
218.08084	1.6
232.09584	2.9
233.16548	3.5
235.10745	6.3
261.08643	7.1
277.11871	1.9
308.12140	0.9
381.14395	9.9
491.26489	3.4
508.26416	1.1
509.27509	47.6
510.27847	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	509.2764
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
55.01799	1.0
55.05441	3.8
56.04964	1.6
56.96499	1.6
58.06520	3.7
58.39390	0.6
60.04446	3.2
60.29668	0.5
65.03864	1.3
69.03353	1.5
70.06505	21.8
71.04904	0.8
72.04424	1.1
72.08068	12.1
73.02830	1.0
81.03300	1.0
84.04431	5.5
84.08067	29.0
85.02829	1.6
86.05978	3.1
89.03813	0.8
91.05401	21.3
93.06954	0.8
95.04845	1.3
97.02836	1.0
98.09621	26.5
100.07541	20.3
101.07115	0.8
105.03340	1.5
105.06967	3.9
107.04880	5.2
110.07116	1.2
110.09622	6.6
111.04362	1.0
112.11191	31.5
113.07069	11.5
114.05524	0.7
115.08652	1.0
116.98582	0.9
117.03311	0.9
119.04898	25.3
119.08535	0.8
120.05685	22.0
121.02810	1.3
121.06503	1.4
125.05931	0.7
127.03816	0.7
128.74750	0.6
129.10184	1.4
129.13850	8.8
130.06485	2.8
132.08072	0.7
133.02814	27.6
133.10106	8.1
134.03593	3.7
135.04376	0.8
145.02852	1.5
147.04393	12.8
149.02298	11.9
151.03894	15.1
151.05006	1.2
155.11761	51.0
159.04370	1.2
161.02309	13.8
162.03079	16.5
162.05486	2.6
163.03859	2.5
165.01871	1.2
171.14928	1.6
172.14491	1.1
173.09184	3.1
175.03896	1.6
177.01888	0.8
177.05365	1.1
193.12228	1.6
204.10168	0.8
207.06377	1.4
207.08121	3.2
211.07698	0.9
212.17580	5.3
214.19157	3.1
229.20180	10.4
235.07481	4.0
237.02702	0.7
239.06963	2.8
253.08704	0.8
263.07037	4.3
267.06427	18.8
269.07864	1.0
281.04865	1.2
281.08014	34.4
307.05826	1.0
338.13803	3.4
364.15356	2.8
435.19070	2.9
466.23236	1.5
480.24786	2.7
492.24921	1.0
509.27484	100.0
510.27731	5.0
522.27057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	0.6
53.03876	1.0
53.78300	0.4
54.82221	0.6
55.01806	0.7
55.05449	28.7
57.03096	0.7
57.03371	15.3
57.07010	4.4
65.03855	0.9
67.05424	55.4
68.09214	0.4
69.06984	30.9
71.04903	1.0
71.08538	1.0
79.04966	0.8
79.05406	15.0
81.06972	51.0
83.04905	0.8
83.08538	13.5
85.06454	0.7
91.05397	11.1
93.06967	15.3
95.04885	0.9
95.08529	41.3
97.06474	3.5
97.10100	4.5
98.98394	17.5
105.06971	6.0
105.65775	0.6
107.08517	8.3
109.06440	0.9
109.10103	12.9
109.10778	1.0
111.08022	1.0
111.11652	0.6
119.08529	4.5
121.10097	5.0
123.11658	4.5
133.10097	4.0
135.11629	2.0
137.13222	2.3
139.09741	0.5
141.14723	0.5
147.11650	2.5
149.13248	1.0
155.00932	3.8
161.13222	2.0
173.02066	1.1
175.14767	1.1
245.22595	2.0
247.05763	0.6
263.23703	2.0
337.27277	100.0
338.27634	3.3
447.82513	0.5
457.39529	0.6
473.26791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91137	0.8
50.98901	0.7
52.50804	0.7
55.01811	1.2
55.05183	1.3
55.05452	29.2
56.11640	0.9
56.45359	0.8
57.03369	14.4
57.07011	4.1
65.03857	1.3
67.03056	1.0
67.05428	71.8
69.06988	33.8
69.92915	0.8
71.04928	1.1
71.51016	0.9
79.05415	15.4
81.06974	66.4
83.08533	10.9
85.85609	0.9
91.05400	10.3
93.06973	19.5
95.08532	49.7
97.06479	3.5
97.10088	5.9
98.41187	0.9
98.98396	65.9
105.06976	6.1
107.08534	11.1
109.10108	13.5
111.08035	1.4
116.99483	1.3
119.08548	5.1
121.10096	6.4
123.11647	6.1
131.08620	0.9
133.10123	7.4
135.11649	5.4
137.13184	1.0
147.11688	3.8
149.13272	1.4
150.99040	0.9
155.01021	18.2
161.13190	3.6
163.14752	1.2
173.02083	5.6
211.03587	1.2
229.04662	1.6
245.22701	1.8
245.61797	0.9
247.05812	1.6
263.23654	5.7
288.95480	0.9
291.25146	1.0
319.26212	1.5
337.27292	100.0
338.27451	1.1
398.40637	0.9
454.73871	1.1
473.26065	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	510.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01806	3.6
55.74986	1.7
57.03364	5.1
61.02842	12.3
65.03854	18.2
69.03333	27.0
73.02795	2.6
81.03333	13.5
83.04897	4.4
84.04463	2.4
85.02822	100.0
88.42717	1.8
91.05371	2.1
93.03318	10.2
93.93706	2.5
97.02817	29.1
99.04360	3.1
101.75404	1.8
109.02808	3.9
110.03613	5.0
111.04387	73.2
116.98564	2.7
119.04872	2.4
120.08052	3.3
125.05936	47.9
127.03851	15.7
141.05428	2.7
145.04887	18.4
151.03882	38.2
163.05975	3.7
169.04907	99.5
169.96381	2.2
207.06535	3.2
207.48557	2.3
216.87260	2.2
432.37418	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.3
53.86725	1.2
55.01804	2.1
57.03363	7.2
60.04465	1.2
61.02851	12.6
65.03851	2.7
65.79873	1.6
67.81105	1.5
69.03351	20.8
70.06493	1.6
71.04897	2.3
71.81103	1.4
72.89594	1.4
73.02822	1.8
81.03326	8.1
81.66909	1.3
85.02828	100.0
87.04366	2.1
88.02147	1.7
91.03885	5.8
93.03311	1.7
93.99252	1.4
95.06040	1.8
97.02822	32.1
99.04379	6.6
109.02863	10.8
111.04382	28.0
111.05525	7.3
123.05503	6.4
125.05933	17.9
127.03860	22.0
141.06526	8.4
145.04942	27.0
151.03955	10.5
159.07593	2.8
162.05446	15.2
163.05963	9.4
169.04915	42.6
242.03233	2.0
510.15576	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	510.3545
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
54.81310	0.4
55.05443	2.3
56.04971	0.8
57.03358	2.3
57.06742	0.7
57.07012	18.2
57.20545	0.4
57.59086	0.3
58.06526	1.0
60.05568	0.8
60.08096	23.2
61.02846	0.9
67.05429	4.3
67.05756	0.7
69.06978	2.7
71.07290	8.4
71.08188	0.6
71.08548	11.7
72.08060	0.5
79.05419	0.4
81.06980	5.5
82.35160	0.4
83.08534	2.6
83.27470	0.4
85.02829	4.4
85.10108	6.3
86.09628	70.3
91.03918	0.5
93.33335	0.5
95.08524	6.9
97.02805	1.9
97.10087	2.0
98.95217	0.4
98.98381	5.7
104.10683	100.0
105.11039	0.5
109.10110	3.5
113.43055	0.4
123.11665	1.7
124.99966	44.0
128.65651	0.4
134.41916	0.4
143.00906	0.6
144.78534	0.5
155.39717	0.4
163.01521	0.4
173.84247	0.4
184.07309	94.2
239.21501	0.5
239.23648	3.3
257.24744	0.6
258.11163	0.6
272.65005	0.5
274.11240	0.5
289.13101	0.5
293.92575	0.6
298.28021	0.5
313.27283	13.4
314.27444	0.6
327.28741	1.6
327.55099	0.4
331.28378	2.4
440.52905	0.4
480.33725	0.5
492.34418	8.1
510.35486	34.4
511.21738	1.0
511.35815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45731	2.8
55.05439	25.4
57.03373	6.7
57.06739	4.1
57.07012	100.0
61.02863	3.7
67.05438	29.4
69.03350	7.5
69.06989	23.9
71.08549	62.3
72.08067	93.1
73.08394	14.2
79.05413	3.7
81.06993	32.4
83.08542	15.1
84.04427	6.8
85.02819	18.8
85.10101	36.9
86.09597	3.3
89.05968	7.9
95.08526	52.2
97.02840	4.1
97.10094	6.8
102.05443	3.6
109.10111	26.1
123.11668	5.2
127.74222	3.8
148.05997	5.6
171.28699	3.9
239.23682	34.5
263.24817	4.5
301.22397	4.6
313.27234	72.0
331.28186	16.8
383.27896	6.4
401.28885	20.8
469.32855	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	510.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	2.9
54.81896	1.9
55.05453	12.3
57.07011	100.0
59.06055	9.9
60.05577	19.3
60.08096	13.4
67.05428	23.7
69.03349	11.2
69.06995	21.8
71.04885	1.4
71.07284	2.5
71.08546	72.4
75.39907	1.7
81.03342	3.9
81.06975	40.0
83.08544	25.9
85.02819	28.7
85.06461	1.9
85.10103	35.3
86.09130	3.2
86.09627	40.6
93.06951	2.2
93.68608	2.0
95.08535	55.7
97.02819	47.1
97.10119	13.3
99.04392	7.0
104.10680	19.1
109.02821	8.4
109.10103	28.5
111.11687	2.5
123.11666	10.3
124.99947	27.0
126.05421	1.7
127.03889	15.1
137.84331	1.7
141.60228	1.6
145.04951	10.0
184.07298	83.7
211.35741	1.7
236.09427	1.9
239.23659	63.3
239.25961	3.6
242.03949	1.6
269.19421	1.8
282.33093	1.8
328.53720	1.8
339.28903	2.5
383.27795	26.5
401.28909	47.1
470.36862	1.9
492.34747	2.4
510.35321	8.5
511.21786	11.1
533.60565	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16603	1.9
53.00266	2.5
55.05443	4.9
57.07013	59.4
61.35640	2.0
69.06969	4.3
69.43370	1.9
71.08552	37.7
73.06470	4.2
81.06969	3.4
83.08531	3.9
85.10114	16.6
86.09635	5.2
87.04383	3.0
89.05950	100.0
97.10083	2.9
107.06991	3.3
117.09087	2.8
117.24200	2.3
133.08583	31.7
177.11217	4.9
190.90587	2.6
194.11765	2.8
206.11673	3.1
242.23958	2.3
283.17560	16.1
283.20459	2.3
493.40976	34.3
510.42938	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	511.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72587	0.9
55.05441	1.2
58.06536	4.8
68.60293	1.1
70.06497	2.1
72.04452	1.7
72.08073	1.5
73.07030	1.1
81.47202	1.3
84.08067	57.1
85.02789	1.4
88.06478	1.3
89.03860	2.5
91.05402	27.9
92.10827	2.1
94.64848	1.2
95.05042	1.2
98.09628	40.2
98.10231	2.4
100.07558	35.8
101.07111	2.2
103.79136	1.1
107.04909	9.4
110.09643	7.2
112.11197	30.6
113.07085	17.3
117.03333	9.7
119.04895	58.1
120.05679	48.4
121.02876	1.6
127.08655	2.6
129.13838	9.1
131.04918	1.4
135.04408	13.0
145.02824	16.3
145.37494	1.3
146.03621	21.0
147.04372	1.1
155.11763	62.9
162.94505	1.2
163.03883	7.6
169.13405	4.9
171.14919	1.9
184.14383	2.9
195.08012	5.1
202.16016	1.2
203.09416	2.1
210.12341	2.3
212.17580	5.3
214.19121	6.5
219.08040	2.7
223.07550	5.5
225.09093	10.2
229.20233	8.0
231.21971	1.2
235.07803	1.4
237.09256	1.6
238.15538	5.5
247.07310	1.5
251.06979	52.3
253.08449	2.7
264.98657	1.4
265.08554	65.7
265.11288	2.6
266.03137	1.8
269.08038	2.6
272.08789	1.4
291.06442	2.8
322.14322	10.0
347.13965	2.1
348.12189	10.9
405.17575	1.5
419.19522	5.6
434.86008	1.4
464.25671	2.8
475.27103	2.5
476.25473	6.8
493.28027	100.0
494.28384	3.0
510.27740	1.6
511.14923	7.2
511.29031	74.7
512.29498	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	512.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28578	0.8
56.96519	0.8
57.03350	0.9
61.02848	4.0
65.03848	5.4
67.37011	0.9
68.99704	1.1
69.03342	6.1
81.03336	4.5
83.04889	4.1
85.02826	27.8
87.99422	0.8
90.43861	1.2
97.02833	8.3
104.06995	1.2
109.02843	1.3
111.04391	41.3
117.70440	1.1
118.31704	0.8
120.08058	11.5
121.03969	1.8
121.08398	4.0
127.03873	4.2
134.99561	1.0
139.03882	100.0
145.04947	6.0
145.61465	1.2
166.08601	1.9
171.06490	76.0
189.00627	1.0
237.02571	1.1
252.71507	1.2
297.09650	1.4
329.18094	1.1
478.42908	1.1
489.22452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33646	1.6
53.03857	2.6
55.01801	1.6
57.03365	3.5
61.02834	8.8
65.03837	4.6
69.03342	24.3
71.04852	2.3
73.02840	2.2
81.03323	10.0
83.04908	3.7
85.02825	98.7
91.03905	1.6
91.33900	1.8
92.10339	2.0
93.03329	2.3
97.02825	29.2
99.04375	2.2
109.02821	10.8
110.27506	1.7
111.04403	43.8
127.03830	17.4
130.62181	1.7
139.02795	4.1
139.03870	100.0
145.04907	17.0
163.05968	3.0
171.06479	84.5
176.91080	1.9
207.06482	2.4
237.07484	2.9
297.09595	2.6
461.70996	2.2
513.15747	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	512.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	2.1
55.05452	2.6
56.96509	2.9
57.03382	1.8
60.65024	1.4
63.50599	1.5
67.05421	2.1
69.03345	12.6
70.06507	10.4
72.08073	3.1
73.02811	2.2
74.05984	3.9
78.29407	1.8
79.05404	18.6
81.03340	12.1
81.06977	10.0
83.04897	3.4
84.04418	3.6
84.08065	8.3
85.02830	13.9
87.04388	7.8
91.05403	29.7
93.06975	7.7
95.04885	7.6
95.08556	2.2
97.02806	10.9
98.97484	2.5
99.04399	2.2
103.05392	1.9
103.68000	2.1
105.06976	44.1
107.04903	37.5
107.60920	1.6
109.02839	9.4
109.06483	2.8
110.07133	2.5
116.07037	3.2
116.98569	2.9
117.07011	3.6
119.04865	3.3
119.08553	14.6
121.06464	7.9
125.05956	3.1
127.03898	2.9
129.06941	1.9
130.06502	18.8
130.07426	1.9
131.08513	21.4
133.06454	15.7
133.10104	39.2
137.05978	2.4
143.08492	2.3
145.02849	2.1
145.10106	7.0
146.05992	23.4
147.04373	2.9
147.08020	4.4
147.11685	18.8
151.07463	1.9
156.13878	2.2
157.10118	3.5
162.05513	4.1
171.89185	1.7
173.09602	3.3
174.05507	2.4
175.11147	100.0
177.05457	4.0
177.08986	2.5
193.12190	6.8
237.02762	3.1
269.09985	2.7
284.45557	2.0
301.14142	2.5
319.15314	8.4
337.16446	15.4
512.14380	6.9
513.15210	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	512.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07020	23.0
59.62147	2.3
60.87059	2.3
63.78376	2.1
64.10712	2.1
64.78432	2.0
69.06963	2.1
71.08555	21.5
73.06473	3.4
85.10103	4.7
87.04369	4.1
89.05952	100.0
95.07168	2.5
98.96128	2.9
101.65517	3.2
105.04500	2.5
107.07025	4.5
133.08554	39.5
177.11185	12.4
256.26108	3.8
258.29718	2.7
327.20099	24.1
495.38794	11.4
513.35724	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	513.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14262	0.8
52.77600	0.7
71.20581	0.8
73.83926	0.9
79.60944	1.1
87.05148	0.8
91.80761	0.8
103.86579	1.0
143.93130	0.9
160.23334	0.9
168.01999	1.0
217.05737	1.0
290.36691	1.1
323.32431	1.1
351.07007	12.0
368.48093	1.1
513.12061	100.0
514.12500	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	513.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44666	1.5
55.94310	1.6
56.16112	1.4
56.96505	10.5
57.03382	1.7
63.47232	1.6
66.55476	1.7
69.03352	4.4
70.06503	1.9
72.08083	2.6
73.06462	11.7
75.14796	1.6
81.03365	3.5
84.95975	3.1
85.02830	37.1
86.05982	2.1
86.09635	2.3
91.03896	1.6
97.02835	8.2
97.44855	1.5
98.97523	39.9
109.02849	2.2
116.07059	1.9
116.98566	43.4
120.03326	1.8
127.03883	9.3
128.98572	7.4
134.99617	22.1
136.06177	10.7
145.04956	7.8
145.41679	1.9
146.99641	15.7
149.01202	2.3
158.99593	13.5
161.01169	8.9
162.05444	1.7
165.04333	3.9
170.99667	8.7
177.00674	30.5
189.00687	10.5
189.04312	7.4
194.99663	1.9
201.00806	3.9
207.01837	2.9
213.00664	3.9
219.01753	37.7
237.02776	100.0
253.12723	2.1
255.03857	10.8
261.02798	7.9
279.03818	64.7
291.07379	4.4
293.31805	1.7
293.36368	2.0
305.22650	1.9
309.08478	22.4
352.57578	2.2
453.12723	89.9
454.12830	2.7
482.07315	2.3
513.14868	2.4
537.36578	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89477	0.4
54.81578	0.4
56.96505	63.2
58.60007	0.4
60.01410	0.5
71.95174	2.0
77.77122	0.5
84.19724	0.5
84.77460	0.5
84.95963	4.1
91.05434	0.5
98.97516	48.7
99.09147	1.0
102.97010	1.1
105.06966	0.8
112.99090	0.7
115.97784	0.6
116.98573	48.9
119.08540	14.4
124.99084	5.1
127.00643	0.6
128.98586	2.3
131.00183	2.2
133.10103	3.6
134.99631	37.5
140.00307	0.6
143.00145	49.2
145.01729	2.9
146.99644	4.7
149.01212	2.5
153.00658	5.0
157.75545	0.6
158.01219	0.8
158.99654	2.3
161.01190	100.0
161.09476	0.6
162.01588	1.2
166.01715	0.9
170.99709	1.0
173.01146	4.0
177.00699	0.9
179.02254	13.6
184.01263	0.5
184.02733	4.7
185.01172	8.5
189.00667	2.5
191.02309	2.3
203.02278	9.4
205.05453	0.7
209.04953	2.2
211.06409	2.4
223.06371	2.5
226.03966	0.6
227.05969	1.3
233.04672	0.8
235.06488	3.6
247.06412	2.5
251.05870	13.5
253.07449	4.1
259.06516	2.0
265.07568	3.7
269.06982	6.1
277.07437	8.2
278.70306	0.5
283.08481	2.0
295.08600	4.4
313.09686	1.1
319.08551	0.7
379.10654	3.1
453.15710	6.1
471.16797	15.3
489.17831	4.3
494.17676	0.6
513.17908	58.5
514.18140	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34370	1.6
85.53031	1.5
89.05943	14.0
120.71118	1.9
140.72336	1.6
171.74942	1.7
225.84637	2.0
244.64894	1.6
256.26309	10.3
257.26630	10.0
327.20047	4.0
513.33923	100.0
514.34448	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	514.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02774	0.2
52.19020	0.2
53.03872	1.0
57.03338	0.2
69.03355	1.9
70.06500	1.3
72.08071	1.8
74.46468	0.2
81.03331	3.5
84.08059	0.4
85.02826	1.5
86.09633	0.3
89.03807	0.4
91.05391	0.5
95.08538	0.3
97.02829	2.1
98.05956	0.3
99.04366	0.4
100.11196	0.5
102.02666	0.2
106.29976	0.2
109.02146	0.3
109.02831	4.9
110.03185	0.5
110.07076	1.0
113.06956	0.2
116.04896	0.5
117.03380	0.8
119.04903	0.8
121.02859	0.3
121.58722	0.3
124.03896	0.9
127.03878	1.3
128.98335	0.2
134.05969	2.6
144.04398	1.5
145.02879	2.4
146.06000	0.3
147.04361	1.2
148.03900	1.0
161.07079	0.4
162.05464	100.0
163.03894	0.4
163.05864	1.8
165.32607	0.2
171.09792	0.2
177.05437	2.0
179.87056	0.3
189.06445	0.4
190.04941	8.9
193.30301	0.2
208.06020	8.1
232.80806	0.2
235.07469	0.5
236.07895	0.5
263.07016	0.3
264.07388	0.3
265.08545	0.5
282.02795	0.5
316.08057	1.3
323.09146	1.5
324.09341	1.4
326.26724	0.2
334.09082	2.0
341.09888	0.3
352.10266	1.0
361.36954	0.3
397.79309	0.3
496.24402	0.5
514.25122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30294	0.3
53.38932	0.3
55.28805	0.3
56.96484	0.4
67.31293	0.3
69.03336	1.7
69.39856	0.3
70.06497	2.3
72.08054	0.8
76.56704	0.3
81.03351	2.5
85.02821	1.4
89.03848	0.6
91.05391	0.5
95.04857	0.4
96.15508	0.3
97.02807	3.0
99.04363	0.5
108.43211	0.3
109.02817	4.0
110.07072	0.5
116.04890	1.3
116.07007	0.5
117.03340	2.5
119.04893	0.5
127.03836	1.5
134.05968	3.0
144.04398	2.1
145.02834	5.5
145.58978	0.3
146.03148	0.7
146.05948	0.7
147.04366	1.6
148.03900	0.8
149.05952	1.5
155.03345	0.5
162.05466	100.0
163.05739	1.1
170.05731	0.8
177.05429	5.8
178.05768	0.6
185.08154	0.4
186.37042	0.3
190.03375	0.6
190.04973	9.4
208.06004	9.2
213.07594	1.7
221.04427	1.4
262.06909	0.6
270.07584	0.5
280.08029	0.6
282.02936	0.5
289.21982	0.4
316.08133	0.7
320.99408	0.4
334.09167	2.2
337.13977	0.4
352.10114	1.3
491.73010	0.4
513.22162	0.7
514.22522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.6
55.05437	1.4
56.96487	0.3
57.50151	0.3
67.25167	0.3
69.03349	3.5
70.06499	1.3
71.04910	0.4
72.08050	1.2
76.02148	0.5
78.41470	0.3
79.05392	0.5
79.60023	0.3
81.03340	3.3
81.06945	0.5
83.08538	0.7
84.04415	0.6
84.08059	0.7
85.02802	1.7
86.09632	0.4
89.03833	0.6
89.90554	0.3
91.05373	0.8
92.44434	0.3
97.02815	4.3
98.09608	0.4
99.04343	0.4
100.11171	4.0
107.04916	0.3
109.02810	4.4
109.06487	0.5
109.10087	0.3
110.07072	0.5
111.04402	0.5
116.04926	0.6
117.03335	1.3
119.04862	2.2
121.02793	0.6
123.07974	0.3
124.03931	0.7
126.09181	0.3
127.03883	2.8
127.07555	0.5
134.05962	3.7
143.11789	0.5
144.04465	1.5
145.02811	1.7
146.05975	0.7
147.04417	3.1
148.03899	0.6
151.03873	1.3
162.05463	100.0
163.05833	2.5
173.08073	0.7
175.03844	0.4
177.05435	2.9
182.15376	2.6
184.07306	0.4
190.04929	9.6
208.05986	6.4
210.14911	2.9
213.89568	0.3
223.63910	0.3
225.15997	1.4
238.03830	0.4
253.15465	1.2
256.04834	0.4
260.49579	0.3
282.02774	2.4
316.08109	0.5
334.09125	1.9
352.09775	0.3
406.18335	0.4
418.72232	0.4
457.20416	0.4
471.35385	1.9
489.71481	0.3
511.01178	0.3
514.35828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78358	3.0
59.29080	2.9
63.50341	2.8
70.12085	2.7
70.51135	3.2
71.83896	2.9
92.01970	3.0
92.10276	3.5
124.96210	3.3
130.58711	3.5
134.90373	3.2
161.60376	3.0
162.05440	32.4
163.05820	4.5
168.00719	3.1
237.22397	3.4
296.42389	3.5
347.09329	41.7
515.13574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66673	3.9
84.61800	3.8
84.70874	4.3
89.71969	4.6
98.97461	4.7
111.96108	4.4
128.52736	5.5
162.05487	28.0
347.09497	51.0
461.02798	5.3
473.07693	5.2
515.13654	100.0
539.55853	5.7
542.46906	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	515.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99938	0.5
54.04425	0.4
60.88214	0.5
63.02310	0.7
67.01774	3.7
81.03321	3.2
83.35130	0.7
89.03843	7.3
91.05376	2.2
93.06974	0.8
109.02821	5.6
117.03323	33.7
119.04890	0.7
127.03848	5.4
127.04657	0.6
129.08200	0.5
134.03564	3.1
135.04366	3.2
145.02823	86.8
146.05922	0.6
147.04384	1.0
149.05957	13.6
163.03822	0.8
177.05431	100.0
178.05670	0.8
186.05383	1.3
231.00854	0.8
285.07401	0.9
303.08609	7.6
392.03537	0.7
458.35333	0.6
495.38214	0.7
515.28162	8.1
535.55023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26315	0.1
53.00244	0.2
53.03889	0.3
54.81562	0.1
61.38560	0.2
61.97792	0.1
62.39963	0.1
63.02302	0.3
67.01787	3.5
69.64433	0.1
74.51241	0.1
78.04645	0.3
81.03331	1.7
85.02849	0.2
89.03838	8.7
91.05415	0.7
92.10255	0.5
95.88452	0.1
97.81461	0.1
98.12092	0.1
99.04372	0.8
103.05433	0.4
106.04083	0.2
108.92316	0.2
109.02834	5.0
117.03329	31.1
119.04891	0.3
124.05160	0.2
127.03867	4.9
134.03598	1.9
135.04387	2.3
145.02823	85.3
146.03185	0.8
147.04390	0.2
149.05957	11.9
163.03873	0.7
171.19479	0.2
177.05432	100.0
178.05791	1.0
186.05453	1.0
205.04984	0.2
233.07613	0.2
241.42900	0.2
243.06456	0.6
257.07928	0.2
262.20322	0.2
277.01501	0.2
285.07516	1.2
303.08566	8.4
353.22940	0.4
515.15057	0.8
515.28363	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.6
63.02303	0.3
67.01792	3.2
67.05424	0.3
71.04897	0.4
79.05418	0.2
80.62305	0.1
81.03334	2.4
85.02828	0.7
87.48940	0.2
89.03839	7.6
89.04389	0.3
91.05398	1.0
93.06976	0.2
95.04916	0.3
97.02811	0.2
99.04376	0.9
103.05410	0.2
105.06987	0.2
106.04112	0.3
109.02835	4.6
111.34661	0.2
117.03331	26.9
118.03669	1.1
119.04944	0.2
124.05161	0.2
127.03873	4.6
130.06467	0.4
134.03558	1.5
135.04391	3.0
136.04860	0.2
145.02827	79.6
146.03165	2.3
146.05910	0.2
147.04332	0.4
149.05959	10.4
150.06310	0.6
151.84055	0.2
158.05983	0.2
162.02963	0.2
163.03882	0.7
177.05440	100.0
178.05771	3.3
185.13356	0.2
186.05434	1.3
231.13799	0.6
243.06714	0.2
246.68741	0.2
285.07440	0.9
303.08563	8.9
304.08960	0.6
357.16669	0.2
396.39969	0.2
515.15656	0.5
515.28113	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72022	0.2
53.03886	0.3
67.01784	3.1
67.05433	0.2
70.06501	2.8
71.04887	0.3
81.03339	1.8
86.09615	0.4
88.03902	1.3
89.03833	8.2
91.05405	0.6
99.04395	1.0
103.05393	0.4
106.04107	1.0
109.02840	4.1
117.03327	30.5
118.03688	0.4
118.77640	0.2
119.04871	0.4
124.05180	0.5
127.03852	5.2
130.06493	0.5
130.07391	0.2
131.04926	0.3
131.06831	0.3
134.03595	2.2
135.04416	2.6
137.05913	0.2
145.02823	79.1
146.03165	1.1
147.04393	1.6
149.05957	11.5
163.03851	0.9
165.74814	0.2
177.05432	100.0
178.05782	1.9
186.05417	1.7
205.33733	0.2
243.06332	0.3
285.07562	1.1
303.08551	7.2
312.64273	0.3
353.22751	0.5
484.80862	0.2
514.13837	0.4
515.14789	0.3
515.27960	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	515.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03864	0.6
54.81463	0.4
58.81587	0.3
60.50391	0.3
63.02278	0.4
67.01785	3.8
67.05434	0.3
69.03333	0.5
71.04897	0.5
78.04626	0.6
78.10673	0.4
79.05339	0.4
81.02886	0.4
81.03313	3.1
89.03830	8.0
90.04203	0.4
91.05392	1.1
99.04376	0.9
103.05420	0.5
109.02831	5.9
117.03326	31.2
119.04870	0.8
127.03871	5.4
130.05461	0.3
130.06474	2.5
131.06831	1.7
134.03595	1.9
135.04358	2.8
145.02817	85.0
146.03123	0.7
146.06050	0.5
147.04382	1.0
149.05957	11.2
162.05394	0.5
163.03868	0.7
177.05428	100.0
178.05766	2.0
183.04243	0.4
186.05440	1.8
193.05008	0.5
200.91280	0.5
293.84134	0.5
303.08557	11.3
350.24689	0.5
353.22736	0.9
353.34024	0.5
367.84729	0.5
515.16211	0.5
515.28259	19.1
515.35406	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	515.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07011	0.7
58.83373	0.3
59.04596	0.3
66.19601	0.3
71.08553	0.5
89.05972	0.5
108.33578	0.4
116.27746	0.4
515.31812	100.0
516.32306	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	515.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25633	0.5
53.90060	0.5
55.05452	21.5
55.83280	0.6
56.96482	0.7
57.08529	0.6
59.06047	0.7
60.04442	0.8
69.03342	1.1
69.06985	1.6
70.06499	4.4
71.04920	0.8
72.08064	1.7
81.03332	0.9
81.06976	0.6
82.06496	1.8
83.04900	3.7
83.08538	15.8
84.04416	3.0
84.08071	5.4
85.02834	1.3
85.06475	0.7
86.09595	1.2
91.05411	1.7
97.02820	1.3
98.09613	3.5
100.07565	5.2
100.11186	100.0
101.11555	1.3
109.02776	1.3
110.07107	0.9
111.04380	8.5
112.07529	2.6
112.52971	0.7
117.13844	1.6
119.04901	4.0
124.03949	1.3
126.09065	0.9
128.07019	4.9
129.05481	0.9
129.10207	0.8
136.85649	0.7
139.08667	3.4
140.07079	1.1
144.13757	1.7
145.04765	1.1
146.05980	3.7
146.99626	0.7
147.04393	10.4
148.04749	2.9
151.03954	1.2
155.07008	7.5
162.05417	7.4
163.03798	0.8
163.05867	1.7
164.14342	1.1
166.15883	1.0
168.06520	0.8
173.07997	0.8
177.05467	2.8
182.15382	22.8
182.16908	1.3
190.05038	0.9
209.16451	14.2
210.14862	23.1
210.16740	1.5
226.18942	1.2
227.17509	3.6
254.17462	3.3
259.31195	0.7
282.02750	1.0
289.21164	1.7
336.23029	1.0
343.30597	1.7
351.56564	0.7
381.24054	0.9
406.91888	0.8
453.34158	1.8
497.36801	2.8
515.13684	1.0
515.37946	80.7
516.38599	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	516.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.4
57.03360	0.4
60.38905	0.3
65.03870	0.4
66.36194	0.3
67.98112	0.3
69.03339	1.5
70.06525	0.4
70.72829	0.4
71.04897	0.4
79.05447	0.4
79.09785	0.3
81.03343	3.6
81.06948	0.4
84.04455	0.4
84.08056	0.5
85.02821	1.5
91.05404	11.8
92.10623	1.7
93.07542	0.3
97.02803	1.6
107.08511	0.4
107.84641	0.3
109.02843	2.3
118.74299	0.3
119.04889	36.3
124.03899	0.4
127.03870	1.4
128.04897	0.5
130.54872	0.4
132.04446	0.4
145.02820	0.6
146.05983	40.0
147.04385	100.0
147.06313	7.8
148.04720	1.4
158.34787	0.3
162.05463	13.6
165.05469	1.4
170.67595	0.3
174.05423	4.8
175.05818	0.5
177.05389	0.7
190.04990	1.3
192.06490	2.9
193.06911	0.6
208.06007	2.1
291.08575	1.7
309.09744	1.5
318.09775	0.5
328.02484	0.3
336.10721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.4
65.03864	1.6
69.03344	1.6
70.06513	1.5
70.16771	0.4
73.35571	0.3
81.03330	4.3
84.04424	0.5
85.02842	0.7
86.09622	2.8
91.04868	0.6
91.05405	12.3
97.02827	0.7
109.02826	0.8
119.04897	35.2
120.08070	0.5
124.03941	0.5
145.02840	0.9
146.05975	2.7
147.04388	100.0
148.04758	2.5
162.05450	15.0
163.05766	0.6
164.04482	0.4
165.05495	1.0
171.76389	0.4
173.09572	0.5
177.05444	1.0
185.13159	0.4
190.05000	0.7
207.06445	0.4
208.06070	2.3
291.08582	2.2
292.22873	0.5
309.09732	0.8
348.44092	0.4
389.73764	0.4
391.24231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.5
55.01828	0.7
56.35322	0.5
69.03343	0.9
70.06506	0.7
72.08047	0.5
74.90083	0.4
79.05361	0.6
81.03337	1.1
84.04422	0.7
85.02817	0.7
91.05402	2.9
93.06952	3.1
95.04889	1.0
97.02856	0.9
103.05408	2.0
106.04130	0.6
107.04884	0.9
109.02814	0.9
119.04849	0.8
120.05685	0.9
121.06463	12.0
131.04875	0.5
146.05984	25.7
147.04362	1.1
148.05161	18.0
149.05959	15.0
150.47664	0.6
162.05482	5.5
165.05518	0.7
166.06215	3.1
174.05481	2.7
176.04646	2.7
177.05417	9.4
179.03357	0.6
180.56120	0.5
192.06485	2.7
193.04971	0.9
194.05696	29.1
209.08057	100.0
210.08334	2.7
231.72746	0.5
233.55103	0.7
310.55566	0.6
320.64120	0.7
336.10464	0.7
373.59271	0.5
506.53156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.5
55.01828	0.7
56.35322	0.5
69.03343	0.9
70.06506	0.7
72.08047	0.5
74.90083	0.4
79.05361	0.6
81.03337	1.1
84.04422	0.7
85.02817	0.7
91.05402	2.9
93.06952	3.1
95.04889	1.0
97.02856	0.9
103.05408	2.0
106.04130	0.6
107.04884	0.9
109.02814	0.9
119.04849	0.8
120.05685	0.9
121.06463	12.0
131.04875	0.5
146.05984	25.7
147.04362	1.1
148.05161	18.0
149.05959	15.0
150.47664	0.6
162.05482	5.5
165.05518	0.7
166.06215	3.1
174.05481	2.7
176.04646	2.7
177.05417	9.4
179.03357	0.6
180.56120	0.5
192.06485	2.7
193.04971	0.9
194.05696	29.1
209.08057	100.0
210.08334	2.7
231.72746	0.5
233.55103	0.7
310.55566	0.6
320.64120	0.7
336.10464	0.7
373.59271	0.5
506.53156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	0.8
53.97081	0.5
55.01808	0.9
55.05443	2.9
57.07000	0.6
65.03843	0.9
65.29759	0.5
67.05087	0.8
67.05431	19.2
68.99682	0.5
69.03349	5.4
69.06984	4.6
73.02814	0.9
78.89906	0.5
79.05416	18.1
81.03320	3.8
81.06509	1.1
81.06978	29.2
83.08533	0.6
85.02830	16.3
85.06477	0.6
87.00758	7.4
91.05404	12.8
93.06972	11.8
95.04905	0.8
95.08537	19.9
97.02805	5.3
97.06438	2.3
99.04417	0.9
105.01812	10.9
105.06981	15.0
107.04909	1.4
107.08543	19.1
109.02831	2.6
109.06450	3.0
109.10110	39.1
111.04395	1.4
111.08034	0.7
117.03344	1.2
117.06980	14.1
119.08543	32.8
121.10090	7.4
123.04388	1.0
123.11639	1.3
125.05944	2.9
127.03881	9.1
127.07480	2.4
127.91047	0.6
129.06967	0.6
131.07632	0.9
131.08536	20.5
133.10086	7.5
135.04420	1.1
143.08517	1.0
145.02827	3.8
145.04951	2.9
145.06378	0.8
145.10110	36.1
146.03140	0.8
146.06020	0.8
147.11665	3.8
149.05983	1.2
155.08514	0.7
156.09360	0.8
157.10121	0.8
157.46053	0.6
159.02856	1.0
159.08055	1.4
159.11667	24.4
161.13188	1.5
162.08797	0.5
163.07492	0.8
169.10129	1.2
171.11682	2.8
173.09610	1.3
173.13210	0.9
177.05452	6.1
177.09103	2.5
178.05830	0.8
182.10941	0.8
187.14793	70.7
188.15152	0.8
191.10603	2.7
197.13199	3.7
205.12263	0.7
205.15886	1.3
206.25372	0.7
215.14293	9.9
231.04927	2.8
233.15332	100.0
234.15627	0.6
249.05974	2.6
250.17909	0.9
463.19614	1.3
515.28650	8.3
515.35645	1.3
516.28247	7.2
516.35516	2.0
517.16168	0.7
521.81519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	0.8
55.01801	3.0
55.05456	8.9
57.03377	8.7
57.07012	21.8
58.17645	0.6
58.17941	0.7
58.31208	0.7
60.96631	0.6
61.02864	1.1
67.05435	5.1
69.03353	6.8
69.06989	9.2
69.39372	0.8
71.01279	1.5
71.04910	4.2
73.02835	5.0
73.06458	0.7
78.67556	0.6
79.05415	14.0
81.03337	1.3
81.06979	15.1
83.04912	3.8
83.08549	4.0
85.02821	8.8
85.06472	18.7
87.04385	1.0
91.05408	44.0
93.06974	6.2
95.04876	1.4
95.08557	3.4
96.16156	0.8
97.02827	0.8
99.04385	1.4
99.08024	2.6
103.03877	0.9
104.06196	3.2
105.06976	9.2
107.08543	3.0
109.06477	6.0
111.04435	1.1
111.08043	13.0
114.37188	0.8
117.05546	0.8
117.06969	1.2
117.46621	0.8
123.08060	1.4
125.09631	5.0
127.07516	14.0
127.35282	0.6
129.09103	2.9
133.10103	100.0
135.07954	0.9
141.09091	1.0
147.08040	4.0
149.09599	40.1
153.09082	8.9
169.08606	0.8
171.10118	15.5
189.11191	15.1
219.29129	0.7
310.27344	1.0
337.20047	4.0
485.28766	4.9
501.01385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.3
53.82084	0.1
55.01818	0.2
55.05439	0.2
56.04974	0.3
56.96488	0.3
57.42345	0.1
61.02850	0.2
65.03862	0.2
69.03363	1.4
70.06499	1.9
70.44903	0.1
71.04899	0.3
72.08054	0.6
73.02840	0.2
73.51727	0.1
74.05974	0.2
81.03336	2.9
83.04910	0.3
84.04419	0.4
84.08060	0.8
85.02823	1.8
86.09612	0.9
88.03930	0.2
91.04894	0.2
91.05389	1.5
92.10870	0.2
93.03311	0.3
95.04878	0.7
97.02817	1.9
98.05989	0.3
98.97545	0.2
99.04379	0.6
101.05964	0.2
105.07006	0.2
107.04899	1.9
109.02827	4.1
110.07124	1.6
116.98548	0.2
118.06502	1.6
119.04903	2.9
120.04422	2.6
121.02811	0.7
123.04361	3.7
124.03907	0.2
125.11414	0.2
127.03922	1.2
128.04922	1.9
129.10216	0.2
130.06491	3.9
132.04427	2.2
136.07549	7.0
145.02802	0.3
145.04979	0.2
146.05986	100.0
146.99571	0.2
147.04414	2.9
147.06303	3.5
148.03886	0.3
151.03835	0.7
158.05988	0.4
160.07538	0.2
162.05408	0.2
163.03880	0.7
165.05447	4.3
166.04939	2.5
174.05467	10.1
175.03819	0.2
176.07051	1.4
177.05409	1.0
178.08459	0.2
179.92894	0.2
182.08089	4.5
183.06712	0.6
186.35750	0.2
192.06526	5.9
197.12570	0.2
198.08987	0.2
207.06473	0.3
219.01772	0.4
224.09138	1.1
226.08771	0.2
237.02846	0.2
246.07516	1.0
254.07819	0.2
264.08463	0.2
272.09109	0.9
296.36642	0.2
300.08618	1.4
318.09647	1.4
319.09982	0.2
336.10773	0.3
368.98645	0.2
428.80777	0.2
437.23438	1.5
463.14966	0.3
464.43195	0.2
499.17221	0.3
517.17853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84230	0.2
53.03872	0.3
56.04947	0.2
56.96506	0.2
57.03392	0.3
60.04456	0.3
61.02855	0.6
64.16586	0.3
65.93362	0.2
69.03342	1.1
69.06987	0.5
69.57905	0.3
70.06501	1.7
72.08069	0.5
73.02800	0.3
81.03341	2.7
83.04901	0.4
83.05979	0.4
84.04420	1.8
84.08064	1.3
85.02835	2.5
86.09629	2.5
88.03922	0.3
91.03848	0.4
91.05396	0.2
92.10226	0.4
95.26373	0.2
96.04443	0.2
97.02828	2.0
99.04365	0.3
106.02848	0.2
109.02833	2.3
110.07113	1.4
111.74552	0.3
116.98573	0.4
119.04932	0.5
124.03936	0.3
127.03871	1.0
130.06497	100.0
131.06848	2.4
136.06134	2.3
136.07578	0.4
144.08115	0.4
144.38954	0.2
145.04932	0.3
146.05994	11.5
147.04459	1.9
147.06349	2.2
148.06149	0.6
149.01224	0.4
162.05469	0.5
163.03860	0.3
166.07233	0.5
172.07539	1.0
174.05496	1.2
175.05667	0.3
175.30440	0.2
176.07063	2.9
192.06528	1.1
194.04440	0.5
198.97595	0.3
205.12958	0.3
212.03778	0.3
213.99741	1.7
222.13464	5.3
223.13824	1.4
237.11240	0.2
241.99272	1.1
242.15021	0.3
320.11212	2.2
338.12244	8.4
384.18640	1.0
385.18979	0.6
406.21429	0.3
429.24490	0.3
517.22473	16.1
518.22736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00391	0.1
51.85397	0.1
53.03879	0.4
55.39278	0.1
57.03375	0.2
61.02846	0.3
61.92505	0.1
69.03343	0.9
70.06506	0.2
71.04900	0.4
73.02847	0.1
81.03338	4.5
84.04390	0.1
85.02830	2.1
86.09653	0.1
87.04424	0.1
87.52808	0.1
91.03853	0.1
97.02824	0.5
99.04388	0.5
103.05394	0.2
109.02821	2.3
110.03146	0.1
127.03894	0.8
128.04955	0.2
129.05336	0.1
130.06493	100.0
131.06851	2.0
132.04428	0.1
132.83240	0.1
136.06100	0.2
144.08028	0.6
145.04924	0.1
146.05986	14.6
147.06303	2.0
162.05511	0.8
163.05894	0.4
167.07025	0.2
172.07568	0.8
174.05455	1.7
175.05800	0.2
176.07024	11.9
177.07420	0.2
181.08452	0.1
192.06505	1.6
193.06844	0.2
193.39214	0.1
211.09589	0.1
228.35501	0.1
257.16571	0.1
318.09705	0.4
320.11212	1.1
336.10645	0.2
338.12244	8.9
339.12698	0.1
380.13409	0.2
413.42303	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	517.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85174	1.1
53.00258	1.1
53.03886	1.4
55.01816	1.4
55.05458	18.2
57.03382	3.1
57.07019	9.9
58.71170	1.2
67.05431	85.5
69.04478	7.3
69.06995	24.7
71.04906	1.7
71.08554	6.5
74.43095	1.2
79.05408	29.3
81.06979	100.0
83.04901	1.3
83.08544	20.2
85.02840	2.6
85.06448	1.4
85.10132	1.2
88.89642	1.3
91.05415	21.2
91.42249	1.2
93.06977	29.8
94.79427	1.1
95.04850	1.6
95.08537	78.0
97.02823	2.1
97.06477	8.7
97.10078	9.9
99.08030	2.3
100.20930	1.3
105.06980	12.1
107.08541	10.9
109.10111	38.9
109.10854	1.8
111.08033	4.9
111.11665	1.5
111.98389	1.3
119.08543	15.0
121.10100	18.2
123.08031	1.7
123.11673	11.6
123.57764	1.2
126.08383	1.2
133.10101	16.2
135.11668	8.3
137.13234	2.6
147.11679	8.1
149.13197	6.7
151.14864	1.4
155.14366	1.7
159.11739	1.3
161.13174	9.3
163.14798	6.8
174.98489	1.6
175.14833	5.2
177.16373	1.4
179.17943	1.5
189.16348	2.4
245.22595	20.3
257.31583	1.5
263.23688	26.5
337.27420	14.7
371.25705	2.1
463.31009	1.6
465.00958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	4.9
55.05445	3.8
57.07014	40.9
58.30509	1.9
59.06047	3.8
59.82290	1.9
61.01078	15.0
67.05418	12.5
69.06981	3.6
70.80389	2.1
71.08546	30.7
72.04432	57.9
78.03714	36.7
81.06976	9.9
83.08527	11.9
85.06484	2.5
85.10107	14.6
86.05988	3.4
88.02130	5.1
92.10306	2.5
95.08517	22.3
97.10116	3.2
102.03699	52.4
103.02081	3.5
105.74402	2.1
109.10103	14.1
111.75117	1.9
114.03696	14.4
120.04771	5.4
123.11642	3.4
124.07504	4.1
131.06334	21.3
132.04739	31.4
132.12859	2.3
137.13260	2.9
142.08633	14.1
149.07413	59.1
225.33839	2.4
239.23587	16.8
261.12674	9.4
268.26318	3.2
310.27374	41.1
387.30328	100.0
388.30621	4.2
499.35428	46.6
517.35504	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	518.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03863	0.6
54.38462	0.4
55.01801	0.4
56.04956	0.6
58.99516	6.7
61.85682	0.4
64.15263	0.4
76.02135	51.8
76.03876	1.7
78.47460	0.4
79.05405	1.0
82.63652	0.4
83.05992	0.5
84.04419	17.6
85.02818	0.8
86.98964	1.9
91.05392	7.7
93.06963	9.8
95.04883	3.9
98.06012	0.4
103.05389	7.9
105.06947	2.2
107.04864	1.0
116.01617	13.9
121.06449	22.8
121.39492	0.6
123.04371	3.3
124.05147	0.7
130.04974	6.2
130.06462	0.5
133.06421	2.7
137.05925	1.9
142.03180	4.5
144.01122	6.1
146.05975	0.8
147.04341	0.5
148.05173	2.0
149.05940	33.4
150.06255	0.6
151.03870	0.9
151.07497	0.5
152.04671	1.9
161.05920	5.0
162.02150	20.5
162.05411	1.0
166.06171	6.2
167.06985	100.0
168.07402	0.8
170.02631	2.2
177.05428	1.8
179.04800	19.3
180.07706	2.0
181.08542	30.5
187.05280	1.2
189.16119	0.5
193.08582	0.8
194.05690	3.4
195.06070	1.2
199.05292	0.8
201.77191	0.5
209.08034	11.0
210.08356	4.8
211.09628	30.4
212.09927	0.6
215.04825	0.5
233.05809	6.7
245.05838	1.0
308.09027	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	518.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12068	0.4
52.34780	0.3
52.64647	0.4
53.03889	0.5
55.01802	0.6
58.20923	0.4
58.99521	6.7
59.60230	0.5
74.73207	0.5
76.02140	48.4
76.03910	2.1
78.04610	0.6
79.05428	0.7
84.04426	16.0
85.02810	1.0
86.98964	2.3
87.04406	0.5
89.68904	0.4
91.05404	7.4
93.06969	10.1
95.04877	3.6
103.05386	7.5
103.68993	0.5
105.06994	1.9
107.04875	0.5
116.01624	11.9
116.98576	0.4
119.04867	0.6
121.06448	21.6
123.04353	2.9
124.05222	0.6
130.04939	7.4
130.06473	0.8
133.06429	2.5
137.05986	0.7
142.03156	6.0
144.01123	6.8
146.05968	0.6
148.05162	2.9
149.05952	33.0
151.03847	0.7
152.04599	1.1
161.05905	3.9
162.02155	18.0
166.06224	7.4
167.06993	100.0
168.07318	1.8
170.02763	1.9
176.04831	0.5
176.09047	0.5
177.05380	2.2
179.04813	20.6
180.07767	1.8
181.08563	35.8
182.08784	0.6
187.05357	0.8
193.08644	0.5
194.05713	3.7
209.08035	11.6
210.08363	5.8
211.09657	29.2
215.04749	1.0
233.05847	5.7
245.05878	0.9
291.06329	0.6
308.09036	36.4
376.21008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.3
57.03382	0.8
59.04935	0.3
61.02856	0.9
69.03349	3.0
70.06511	1.0
71.04891	0.9
72.08067	0.4
76.02209	0.2
76.87992	0.2
81.03333	8.3
82.03660	0.5
83.04892	0.3
84.04442	0.2
85.02826	3.6
87.04408	0.4
91.05358	0.3
97.02818	2.5
99.04414	1.5
101.05921	0.2
104.36354	0.2
109.02827	6.8
110.07084	0.2
111.04452	0.3
117.21730	0.2
118.06510	0.4
121.06448	0.9
127.03873	3.0
128.04936	2.0
129.05441	0.3
130.06493	100.0
131.06836	26.2
131.07864	0.4
132.04436	1.4
144.08063	0.4
145.08339	0.2
146.05988	94.7
147.06314	2.9
148.03923	1.2
149.05890	0.3
162.05464	1.3
166.04939	2.7
166.06039	0.2
166.60165	0.2
167.06990	3.0
172.07541	0.8
174.05469	11.2
175.05908	0.2
176.07036	12.3
177.05753	0.3
177.07362	3.3
181.08568	2.1
184.06012	1.3
192.06511	7.8
211.09630	1.4
219.40758	0.2
246.07588	0.2
260.55460	0.2
300.08563	1.1
318.09622	2.9
320.11151	1.1
336.10748	1.4
338.12228	7.2
339.12585	4.3
482.16147	0.5
494.69476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.2
57.03376	0.3
58.56175	0.2
58.88691	0.2
60.16398	0.2
68.82258	0.2
69.03346	1.8
70.06509	0.4
74.45452	0.2
81.03339	3.9
81.06966	0.2
85.02814	1.8
89.03835	5.3
91.05404	1.4
95.04928	0.2
97.02814	0.5
97.21066	0.2
99.04391	0.3
100.11195	0.3
103.05416	0.3
107.04918	0.3
109.02863	1.6
111.89698	0.2
117.03329	20.5
119.04889	1.4
124.05091	0.2
127.03839	0.5
134.03593	1.3
135.04399	2.4
144.85849	0.2
145.02831	67.6
146.03197	1.2
146.05988	2.7
147.04405	2.9
149.05962	9.3
153.01822	0.4
155.74889	0.2
162.03125	0.3
162.05466	3.2
163.03844	1.0
177.05440	100.0
178.05780	2.1
186.05420	0.5
195.06535	1.1
204.10118	0.3
208.06071	0.2
260.95468	0.2
271.05948	10.6
321.09695	3.8
339.10742	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	518.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07018	7.4
57.07246	0.8
60.08101	7.4
60.85266	0.7
67.05425	1.0
69.06990	1.0
71.07286	5.2
71.08539	5.3
81.06978	1.3
81.89585	0.8
83.08542	0.9
83.52013	0.7
85.10091	1.9
86.09629	31.2
86.30759	0.9
95.08516	3.3
104.10682	100.0
105.11058	1.0
136.30467	0.8
146.98181	15.9
172.95152	1.3
313.27322	8.5
376.77487	1.3
459.18558	1.5
459.24768	41.9
475.21585	1.1
518.32031	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	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55337	0.4
60.08097	9.6
67.05421	0.5
71.07281	5.2
73.77402	0.5
75.87123	0.5
86.09624	52.6
95.08517	0.7
98.98358	4.2
104.10670	5.3
119.08498	0.5
124.99964	36.9
134.13120	0.4
184.07300	100.0
190.59319	0.5
195.81454	0.4
232.13882	0.5
321.56555	0.6
325.48227	0.5
495.71249	0.5
500.31052	1.0
518.31982	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15854	0.7
57.03326	0.8
58.06525	1.1
60.08089	27.9
62.14198	1.0
63.86087	0.9
67.05411	1.9
69.06979	1.2
71.07285	9.2
79.05392	1.9
81.06938	1.5
86.09622	77.8
93.06955	1.9
95.08508	1.0
98.98384	6.6
104.10674	100.0
124.99957	46.5
167.71872	1.0
184.07291	96.6
200.99628	0.9
416.98245	1.0
500.31281	7.4
501.14499	1.0
518.32336	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54649	0.2
61.02897	0.2
65.76864	0.2
74.02354	1.0
91.05399	1.0
101.74197	0.3
115.05391	0.6
117.05679	0.3
117.06946	1.5
118.06490	25.0
130.06487	3.0
132.08063	7.8
142.06462	2.7
143.07277	3.8
144.08055	18.9
145.06445	0.5
145.08444	0.3
146.05984	93.8
147.06332	2.3
157.07541	1.1
159.09151	8.7
160.07552	1.3
162.05399	0.3
170.05980	6.2
188.07025	100.0
189.07352	2.9
199.56915	0.3
203.08095	0.4
205.09686	26.4
206.10014	0.7
252.73076	0.3
264.34998	0.3
362.97879	0.3
417.39584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88039	0.4
55.31099	0.4
56.20057	0.4
59.29020	0.3
71.27374	0.5
74.02332	1.7
85.02806	1.0
86.32976	0.4
92.36824	0.4
97.02863	0.5
108.55133	0.5
109.45113	0.4
115.05368	0.9
117.06991	1.1
118.06482	24.6
121.96327	0.4
128.55397	0.6
130.06487	5.3
132.08046	7.7
142.06508	3.4
143.07260	2.3
144.04398	0.9
144.08054	18.9
146.05978	100.0
147.06303	1.8
157.07600	1.1
159.09151	8.9
160.07556	1.0
170.05969	8.0
188.07016	97.0
189.07268	3.1
203.08058	0.8
205.09679	26.7
206.09985	0.5
258.43710	0.5
314.80154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3291
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
52.76623	1.5
55.05434	7.8
67.05430	7.5
68.54465	1.4
69.06979	10.1
69.50104	1.6
71.04877	1.7
71.08553	1.8
73.32158	1.9
79.05431	1.6
81.06980	6.2
93.06979	2.7
95.08512	8.5
96.88108	1.7
97.06449	2.1
104.10671	1.8
109.10014	1.6
110.07096	2.5
112.99933	4.2
121.10057	3.2
123.08035	2.3
123.12803	1.7
170.60655	1.7
175.26010	1.7
184.07384	3.6
194.60095	1.7
201.90955	1.6
265.25128	6.5
317.20859	4.3
319.50467	1.6
407.31317	2.6
519.32764	100.0
520.33154	4.1
544.52405	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.5
55.01802	0.3
57.03372	0.4
58.49166	0.2
61.02858	1.2
65.03876	0.2
65.13390	0.2
69.03343	2.8
70.06516	2.8
71.04902	0.3
72.08051	0.4
73.02812	0.4
74.92150	0.2
78.03376	0.3
79.05398	0.2
81.03340	2.2
84.04424	0.4
84.08067	0.4
84.68215	0.2
85.02821	9.9
87.04400	0.3
91.05408	1.2
95.04897	4.4
97.02801	3.7
97.03353	0.2
99.04363	0.8
105.06989	0.3
106.02856	3.4
107.04916	0.2
108.05748	0.3
109.02809	1.9
110.07127	1.2
119.04920	3.7
122.05982	5.7
122.07320	0.2
123.04385	0.9
124.03903	6.6
127.03854	2.2
130.06459	0.3
131.06744	0.2
133.02803	0.3
135.03125	4.4
140.06712	0.2
141.05443	1.4
145.02824	0.8
145.04974	1.6
146.03226	0.3
146.06009	1.1
147.04381	18.5
150.05473	72.1
151.03922	0.2
151.05858	1.8
162.05443	0.8
163.05957	0.3
165.05388	0.4
166.04922	0.2
168.10201	1.9
174.05316	0.3
175.72928	0.2
177.05417	0.9
178.04947	100.0
179.05275	3.3
196.06007	15.6
196.09662	1.5
197.06334	0.4
236.15598	0.2
250.06976	0.4
262.22614	0.2
268.08054	2.3
309.09595	0.8
358.14786	0.5
430.12656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.2
55.01804	0.9
57.03334	0.9
58.59581	0.7
65.03838	1.5
67.05425	1.0
69.03333	5.1
70.06499	2.1
71.04880	1.2
72.08076	6.6
73.02827	0.9
81.03337	9.5
84.04408	1.7
85.02831	6.1
86.09608	5.1
91.05405	30.9
97.02802	2.1
99.04388	0.9
99.89855	0.8
103.05415	1.0
104.10675	4.8
105.03332	1.0
105.06964	1.6
106.02853	1.5
107.04901	1.5
109.02806	8.2
110.07045	0.9
117.03304	3.6
118.06484	0.8
119.04896	61.3
124.03874	5.3
127.03815	1.1
128.04926	1.4
132.02020	1.0
132.04320	1.1
136.07565	5.8
145.02817	11.8
146.05992	70.7
147.04388	94.0
149.05913	1.0
151.03891	6.3
152.10689	2.0
157.03975	1.9
159.11531	1.1
162.05476	10.4
163.03870	1.3
164.04655	1.1
174.05446	8.4
175.03874	70.2
176.04240	1.1
177.05492	10.1
179.06989	4.4
180.10155	1.5
182.08057	2.0
190.04935	1.0
192.06557	1.1
204.10216	9.8
207.06493	100.0
244.73607	0.8
246.14403	0.9
268.07935	1.4
275.17282	1.0
282.02737	1.8
351.10590	5.1
369.11719	8.9
520.24353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01527	0.3
51.02309	0.3
51.48265	0.3
52.09088	0.3
53.03894	4.4
55.01804	0.7
55.05440	0.5
56.78448	0.4
57.03363	2.0
61.02843	0.5
67.32595	0.3
68.71020	0.3
69.03352	12.8
70.06519	2.5
71.01264	0.4
71.04903	1.5
72.08050	0.5
73.02837	0.7
73.06459	0.4
75.85420	0.3
78.03367	10.1
80.04931	1.9
81.03338	25.6
84.04427	0.7
84.08052	1.6
85.02827	14.6
85.06486	0.3
86.09636	0.4
91.05420	0.5
92.10901	0.6
92.63650	0.4
95.04924	0.4
96.04422	7.2
97.02824	9.4
99.04395	4.6
105.06927	0.5
106.02861	62.0
109.02831	14.1
119.04896	1.6
122.06017	0.8
123.04373	0.4
124.03917	100.0
125.04225	1.5
127.03887	6.3
129.10245	0.5
130.06488	2.2
131.06859	0.4
131.83661	0.3
135.03149	0.8
145.04947	0.7
146.06009	0.4
147.04361	5.1
150.05484	19.4
151.05800	1.4
162.05487	2.3
166.04973	0.4
168.10201	0.4
178.04964	24.4
179.05276	0.6
196.05992	4.9
220.23077	0.3
232.06087	0.4
232.55428	0.4
250.07036	14.3
250.09438	0.7
251.07289	0.4
268.08112	28.8
269.08334	0.4
286.09222	2.3
346.03781	0.4
358.14764	1.6
363.77283	0.4
392.08951	0.4
412.12283	2.0
430.13370	15.4
431.14462	0.4
456.54367	0.4
520.20459	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	520.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02328	0.3
53.00251	0.3
53.03884	3.7
55.01814	0.6
55.05443	0.5
56.04945	0.3
57.03379	1.5
61.02854	0.7
69.03349	11.9
70.06505	2.9
71.04910	1.6
72.08074	1.1
73.02827	1.3
73.06480	1.4
77.03936	0.3
78.03366	9.8
80.04926	1.2
81.03336	23.9
83.01184	0.3
84.04437	1.3
84.08066	0.7
85.02826	13.9
85.44493	0.3
86.09615	0.6
87.04386	0.3
91.05414	0.3
92.63760	0.3
96.04416	6.4
97.02824	9.9
99.04378	4.0
99.36852	0.3
102.05371	0.3
106.02859	59.5
107.03214	0.4
109.02828	12.4
110.07095	0.6
116.57655	0.3
122.05972	0.4
124.03910	100.0
125.04243	1.2
127.03876	7.0
145.02815	1.5
145.04916	1.2
146.05962	2.2
147.04375	1.2
147.06339	0.7
150.05484	7.6
151.05811	1.4
162.05464	3.4
163.03856	0.5
163.05891	0.4
166.04996	1.2
168.06436	0.3
168.10149	0.6
177.05418	1.8
178.04932	1.4
181.82246	0.3
196.05952	0.4
196.09648	1.2
204.06644	0.4
208.06059	1.5
210.22804	0.3
232.05876	1.3
250.07047	16.4
268.08084	28.4
286.09061	2.6
358.14828	1.6
376.26971	0.3
412.12152	1.6
430.07529	0.6
430.13336	17.0
431.14032	1.1
502.15353	0.4
520.20374	1.0
524.65869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	1.5
60.08089	26.4
67.05421	5.4
71.07285	9.6
81.06989	1.8
86.09624	75.1
86.80357	1.0
90.79573	0.8
94.56001	1.0
95.08530	2.1
98.98392	4.8
104.10674	91.1
124.99969	42.8
131.30121	1.1
162.88362	1.0
184.07295	100.0
187.96587	1.0
220.96152	1.0
233.00067	0.9
425.15225	1.0
487.94260	1.1
499.70325	1.0
502.32794	8.4
520.26416	1.8
520.33813	36.8
521.33923	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04993	0.6
60.08098	9.1
62.79666	0.3
67.05441	0.9
69.06959	0.5
69.64619	0.4
70.83115	0.3
71.07291	5.0
75.02518	0.4
81.06991	0.8
85.04865	0.4
86.09631	51.1
87.09964	0.6
90.49112	0.4
92.10983	0.9
98.98394	3.6
104.10687	4.3
124.99973	37.9
184.07314	100.0
185.07658	0.7
185.79532	0.4
189.70329	0.5
502.32410	0.7
520.33783	3.5
539.55682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29134	0.4
53.03889	0.4
53.26560	0.4
55.01805	0.9
55.05452	17.2
57.03135	0.4
57.03363	4.2
59.04922	0.6
60.52584	0.4
61.02843	0.6
69.03336	2.3
70.06505	2.9
71.04906	18.4
72.08085	0.8
73.02783	0.4
73.06466	0.6
74.24210	0.5
78.95017	0.4
81.03339	4.6
83.04899	33.1
84.04430	1.0
84.08074	2.5
85.02801	1.0
86.09613	2.1
89.03832	7.6
91.05389	1.7
97.02815	2.0
101.05952	38.3
107.04894	0.5
109.02802	1.1
110.07081	1.2
117.03327	27.8
119.06958	4.5
124.03892	0.8
127.03864	0.7
129.10211	0.5
129.36781	0.4
134.03560	0.9
135.04376	2.0
145.02818	83.6
146.03181	2.4
146.05960	2.3
147.04460	2.7
149.05949	13.2
151.03870	0.9
162.05437	2.2
163.03835	0.9
163.05864	0.8
165.05762	14.1
177.05431	100.0
178.05774	3.2
183.06822	41.4
184.07256	0.6
321.09616	1.1
339.10541	3.5
341.10385	5.8
342.04239	0.6
359.11240	0.5
522.14972	0.5
540.59967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.4
54.43832	0.2
64.33461	0.2
65.39691	0.2
69.03341	1.2
70.06506	0.5
72.08044	0.2
77.95245	0.2
80.00939	0.2
81.03329	2.2
84.08037	0.2
85.02826	1.2
86.09644	0.3
91.05378	0.9
97.02832	2.2
99.04414	0.3
105.06951	0.2
106.02900	0.3
109.02840	3.8
116.04921	0.3
117.03326	0.3
119.04874	1.2
124.03930	0.5
127.03846	1.1
134.06001	2.2
144.04425	1.2
145.02835	1.9
145.04912	0.4
146.05968	1.6
147.04399	1.8
148.03879	0.6
151.03880	2.1
152.04199	0.6
162.05467	100.0
163.03836	0.5
163.05826	1.8
165.53194	0.2
168.09979	0.3
175.03809	0.4
177.05411	1.7
190.04955	11.1
204.10176	0.4
207.06499	0.5
208.06006	9.4
217.04916	0.3
262.06918	0.3
270.07562	0.9
280.08115	0.4
282.02789	0.4
316.07968	1.7
334.09082	3.3
352.10208	2.5
540.36456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.4
53.93966	0.3
54.81472	0.3
55.01803	0.6
55.05440	0.4
56.04966	0.4
57.03367	0.5
65.03853	0.5
69.03337	1.5
70.06509	5.2
72.08058	1.7
73.02827	0.4
73.23991	0.3
74.06020	0.3
76.02150	0.5
77.66925	0.4
81.03317	2.0
84.04418	0.7
84.08061	2.0
85.02818	3.9
86.09637	0.5
89.03851	3.5
90.04186	0.7
91.05398	1.8
97.02811	1.9
98.97492	0.4
99.04333	0.4
106.02802	0.3
109.02810	0.7
110.06034	0.4
110.07079	0.7
112.11139	0.5
116.98552	0.4
117.03323	11.8
118.03654	2.0
118.48429	0.3
119.04842	0.6
127.03876	0.8
129.10216	0.7
134.03581	0.8
135.04358	2.2
136.07648	0.3
138.05505	3.8
145.02823	30.2
145.04724	1.0
146.02078	0.5
146.03149	5.5
147.04390	1.5
148.03903	61.0
149.01166	0.4
149.05960	4.8
150.05377	1.1
150.06444	0.5
151.05823	0.7
162.05432	5.9
163.03896	2.0
166.04956	100.0
167.05280	1.9
177.05432	35.1
178.05806	8.9
184.06010	51.6
211.68761	0.4
321.09656	0.6
414.47491	0.4
522.15820	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	522.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.4
56.96510	0.4
57.03381	1.0
61.02845	1.0
62.49292	0.4
69.03348	6.3
70.06496	0.5
71.04893	0.6
72.64517	0.4
73.02847	0.6
79.05412	0.8
80.04937	2.3
81.03326	4.9
83.04891	0.8
84.04416	0.5
84.08061	0.8
85.02829	8.9
86.09590	0.5
87.04369	0.5
89.03818	3.4
97.02831	3.5
99.04413	0.9
106.36576	0.5
107.04899	1.7
109.02822	2.4
111.04387	0.9
117.03335	4.5
127.03866	2.3
127.73518	0.5
129.05473	1.0
133.02797	2.0
134.05965	1.1
135.04384	16.3
135.06328	0.9
136.03920	1.1
140.07016	0.7
141.71989	0.5
145.02817	15.0
145.04842	0.7
146.05942	0.7
148.54779	0.4
152.07053	6.6
153.07359	2.0
162.05455	1.1
163.03867	100.0
164.03340	14.4
170.08099	1.7
179.03310	0.6
181.04930	2.6
182.04492	2.1
201.69774	0.5
211.20601	0.5
236.96225	0.5
298.19385	0.4
307.08221	3.9
325.09048	7.8
354.79462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62436	0.5
51.81912	0.5
55.01595	0.4
55.01808	6.2
56.71341	0.6
57.03369	6.6
57.06624	0.6
58.58211	0.5
61.02851	34.6
69.03346	22.6
70.68379	0.5
71.01250	0.6
71.04907	2.6
73.02824	15.1
81.03324	6.3
84.04359	0.7
85.02821	100.0
86.03139	0.8
87.04378	2.6
91.03871	38.0
92.10329	1.2
97.02818	35.6
99.04364	7.0
101.02302	3.2
103.03859	1.2
109.02834	9.4
115.03864	3.9
120.66663	0.8
127.03866	43.6
128.28761	0.7
145.04926	35.4
146.05287	0.7
163.05972	39.9
190.09253	0.7
214.09258	1.0
258.08170	2.5
289.09119	1.1
325.11292	9.2
330.31482	0.8
365.10092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.0
54.81353	0.7
55.05455	26.1
57.03378	16.6
57.07013	3.6
65.03873	1.3
67.05432	54.5
69.06991	37.1
71.04913	1.1
79.05405	12.4
81.06976	52.3
83.04915	1.0
83.08543	13.1
88.03922	11.2
91.05403	9.3
93.06969	12.2
95.04885	0.9
95.08533	34.5
97.06470	2.8
97.10113	6.3
98.98405	12.1
105.06973	6.1
106.04942	1.5
107.07909	1.0
107.08533	8.1
109.10109	14.1
111.08074	0.9
114.54766	0.8
119.08554	4.5
121.10101	4.8
123.11655	3.5
125.24911	0.8
133.10085	4.1
135.11658	1.3
137.13295	1.0
147.11610	1.5
173.02000	1.0
184.07420	1.1
184.83830	0.8
189.06367	0.8
219.37529	0.9
281.11584	0.9
326.62616	0.9
337.27310	100.0
338.27737	5.8
350.26974	1.5
362.68207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05219	1.6
55.05447	25.2
57.03378	16.6
57.06994	2.3
65.03856	1.8
67.05087	1.6
67.05428	47.0
69.06987	27.0
79.05416	12.6
79.34368	1.2
79.45769	1.1
81.06507	2.2
81.06972	48.7
83.04919	1.2
83.08527	15.4
85.06522	1.8
85.35951	1.2
86.09612	8.1
87.09940	2.5
88.03909	16.5
91.05387	9.6
93.06973	16.9
95.08531	37.6
97.10094	6.7
98.98409	13.7
99.08022	1.3
105.04331	1.4
105.06960	6.2
106.04929	2.5
107.08511	7.3
109.10093	13.3
110.52194	1.5
114.84895	1.5
119.08527	5.6
121.10066	2.6
123.11655	5.3
124.99936	5.3
128.27524	1.3
133.10127	3.3
147.11583	1.5
155.01019	1.8
161.13133	1.6
169.01192	1.6
173.02202	1.3
175.14735	1.7
184.07257	10.3
185.07674	4.6
186.07777	10.4
211.08961	1.3
263.23468	1.9
272.98575	1.6
278.28415	1.4
308.15048	1.2
337.27283	100.0
338.27518	2.7
350.26633	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	522.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80994	1.7
53.28695	1.7
55.05452	28.8
57.03379	8.7
57.07028	2.7
60.04454	20.6
60.08095	18.1
61.08442	3.0
62.91240	1.5
67.05418	68.8
69.06985	31.2
69.43959	2.1
70.02890	3.7
71.07291	4.2
72.07619	2.9
73.36633	1.7
79.05408	24.5
81.06963	52.6
81.07369	2.7
83.08546	11.5
85.02848	1.8
86.09625	63.0
86.10108	3.2
87.09448	3.5
87.09943	21.2
88.03913	100.0
88.04418	3.6
88.10329	2.4
90.37769	1.7
91.05412	11.5
92.10261	2.4
93.06969	19.7
95.04924	2.6
95.08525	42.7
96.79678	1.8
97.06470	2.3
97.10120	4.2
98.98398	62.0
98.99001	3.1
99.06418	1.8
104.10674	67.2
105.06963	4.7
105.11008	22.1
106.04944	27.7
106.11164	4.3
107.08552	10.3
109.10088	17.9
119.08550	8.5
121.10119	4.1
123.11697	2.5
124.99945	30.1
125.09624	2.8
126.00340	4.8
127.00403	18.2
133.10123	10.2
155.01042	19.8
161.13263	3.4
173.02141	4.2
184.07294	50.2
185.07629	23.2
186.07722	23.4
186.68964	2.3
187.08093	8.1
242.04282	2.0
245.22501	2.6
247.15028	2.1
263.23535	16.0
337.27252	79.9
338.47955	2.4
350.26785	4.5
417.23950	3.6
438.56937	2.1
503.31931	4.5
521.33124	22.8
522.33350	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	522.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	7.2
55.05450	92.6
56.83662	6.3
59.22883	8.1
59.74205	7.0
63.27028	6.4
67.05437	79.7
68.99694	9.0
69.06976	35.4
70.06487	30.3
71.08536	59.0
74.21927	7.1
79.05413	58.6
81.06982	73.6
83.04910	12.7
83.08522	46.5
88.03868	11.3
91.05395	33.4
91.90784	6.9
93.06969	53.7
95.04899	9.1
95.08515	44.6
97.06486	7.2
97.10095	90.9
99.08002	37.0
104.94320	7.4
105.06976	33.4
107.08511	49.0
109.10077	16.5
119.08534	17.8
119.79081	9.3
125.09614	60.5
129.01764	51.3
135.11652	13.6
136.06122	8.7
139.00269	10.3
147.04413	12.5
151.11156	40.9
159.11597	8.6
161.13210	15.3
163.11116	14.3
166.01672	8.0
177.05472	12.0
177.12772	56.9
189.11205	71.5
191.60562	7.2
195.13829	29.1
213.14752	9.3
248.18535	7.9
277.21469	100.0
295.22501	44.5
362.67014	8.3
375.13315	8.3
403.31583	8.2
435.74686	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	522.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	10.6
60.08096	24.1
67.05423	19.7
68.04957	4.0
69.03359	3.2
69.05734	3.1
69.06979	9.2
70.06528	3.2
73.92257	2.1
79.05411	10.9
81.06989	15.0
83.08539	3.1
86.00615	3.1
91.05398	10.3
93.06986	14.0
95.04880	3.1
95.08528	9.4
100.10005	2.1
104.48457	2.4
105.06969	12.3
107.04914	4.6
107.08569	3.6
109.06502	3.4
109.10126	5.2
113.01655	9.4
119.08561	3.8
121.06421	2.1
121.10137	2.8
126.02434	24.8
126.92610	2.9
127.03218	69.1
130.06500	2.8
133.10065	3.0
136.06085	2.6
145.03143	3.5
145.04279	43.8
147.04317	3.5
147.11673	2.8
157.06723	2.7
173.11722	2.2
177.05455	4.2
184.08986	2.6
185.09778	38.1
193.17999	2.1
251.77364	2.1
277.21664	2.6
302.48926	2.7
478.30896	100.0
479.31113	2.8
481.37201	2.4
522.30493	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	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64961	0.3
54.81937	0.4
55.05439	0.4
55.96949	0.4
59.02394	0.3
60.08096	8.7
67.05417	0.4
69.06984	0.5
71.07284	5.2
73.27931	0.3
86.09624	50.6
97.57192	0.4
98.98378	4.2
104.10664	4.4
124.99958	38.5
132.58153	0.4
143.01003	0.7
184.07298	100.0
185.07561	0.9
496.14743	0.5
504.34518	0.7
522.35358	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	522.3553
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.41407	0.7
54.81949	1.0
55.05444	2.0
55.06989	0.7
56.04960	1.3
60.08092	18.1
60.27027	0.7
61.65077	0.8
61.75399	0.7
67.05428	1.0
69.07004	1.7
71.07288	7.7
79.38304	0.8
80.57503	0.7
81.06995	0.9
86.09623	65.1
95.08540	1.2
98.98399	3.4
104.10678	94.4
124.99953	40.3
130.02075	0.7
142.22369	0.9
180.67085	0.9
184.07297	100.0
249.12328	0.9
276.13644	0.8
282.67679	0.8
309.37994	0.8
339.28946	1.8
382.90472	0.9
504.34433	7.6
522.35419	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	522.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15409	0.2
53.03868	0.2
56.27457	0.2
57.07004	0.4
60.34978	0.2
61.68785	0.3
65.03852	0.3
69.15724	0.2
79.05418	1.9
91.05399	3.9
93.06947	1.4
95.04888	0.5
95.08529	0.3
103.05394	0.6
105.06978	27.9
107.08540	0.6
117.06941	0.4
119.08539	18.3
120.08834	0.3
121.06458	25.9
121.10051	0.9
131.08623	0.3
133.06461	79.9
133.10094	3.9
133.13293	0.3
134.06790	2.0
134.10858	1.1
135.08015	7.6
135.08952	0.4
136.06186	1.2
137.09586	17.3
138.09962	0.2
147.08041	11.1
147.09163	1.4
149.09583	2.5
149.13252	6.3
151.07521	7.5
151.11182	0.4
159.11671	0.6
159.14206	0.3
161.09605	5.6
162.10420	0.3
163.07524	1.5
165.09059	4.2
177.07922	1.4
177.09091	67.3
177.12703	100.0
178.09366	1.8
178.13051	2.7
184.07307	0.4
186.68250	0.3
200.67389	0.3
241.12206	11.3
246.01653	0.3
285.14795	27.5
286.15167	1.9
297.18488	1.6
341.21033	1.3
380.27536	0.3
393.20538	2.5
429.27716	0.3
431.06622	0.3
516.95660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03871	0.6
54.81951	0.4
55.01793	0.5
56.96494	0.3
57.03360	0.8
60.04430	0.5
61.02835	1.6
65.03850	2.0
69.03338	3.5
70.06510	2.9
71.51974	0.4
73.02831	0.4
73.53158	0.3
79.05359	0.4
80.04479	0.8
80.04924	17.5
81.03322	3.4
84.04409	1.0
84.08042	2.0
85.02357	0.6
85.02826	14.4
89.03827	0.5
91.03855	0.5
92.10284	0.5
97.02810	4.0
102.84249	0.4
108.04433	2.8
109.02803	2.1
110.07095	0.5
111.04382	0.9
117.03281	2.0
127.03837	3.1
130.06421	0.5
135.04387	6.8
136.03889	13.3
136.04771	0.8
137.05896	0.5
144.08031	1.7
145.02847	4.9
145.04947	2.8
146.03120	1.0
162.05428	2.5
163.03862	30.5
164.03343	100.0
165.03665	0.9
180.26695	0.4
181.04886	0.7
182.04431	22.1
282.02698	0.6
284.74496	0.5
307.07938	0.7
317.12018	0.7
325.09195	0.7
326.09155	1.9
342.11548	0.5
523.19775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	0.8
56.04961	0.6
58.06519	1.9
58.61499	0.4
69.03358	0.6
70.06499	2.5
72.04430	1.0
72.08060	2.9
78.04604	0.5
79.05396	0.6
84.04372	0.7
84.08058	14.0
85.02811	0.6
86.09617	0.5
88.84217	0.5
89.03853	1.0
91.05406	6.0
93.06979	3.9
95.04887	1.0
97.02837	0.6
98.09618	17.7
100.07545	16.5
100.08164	0.9
103.05385	4.6
104.06169	4.0
105.03342	6.5
105.06971	5.2
107.04904	3.8
110.09586	3.4
112.10411	0.7
112.11187	17.8
113.07069	8.6
117.03309	1.9
119.04880	4.3
120.05677	0.9
121.06461	7.7
123.04340	0.6
124.03839	0.5
129.13847	5.3
131.04918	0.6
131.64146	0.4
133.02811	50.8
134.07231	52.7
135.04390	5.3
135.08026	22.7
136.05205	0.9
137.05922	2.5
145.02808	3.9
147.04376	3.2
147.78842	0.5
149.05959	4.5
150.06749	3.1
151.03870	12.4
155.11757	35.3
156.12143	0.6
159.04387	1.0
160.05157	0.6
161.02295	30.2
161.05899	5.0
162.02690	0.6
162.05400	0.6
163.03871	2.4
165.06964	0.9
169.13322	1.1
171.14935	0.9
175.03807	0.6
177.05405	0.6
178.07721	0.6
187.03877	0.6
207.08089	0.7
212.17531	4.3
214.19122	2.8
221.05923	3.4
221.09570	2.0
225.09113	0.9
226.02669	0.5
229.20181	8.7
234.06738	2.8
235.07588	1.0
238.06136	2.0
249.05385	2.5
249.09052	4.6
251.06984	0.7
252.07674	0.8
253.08449	1.8
255.10074	0.5
262.06174	1.8
265.08871	0.8
267.10123	2.1
277.08527	14.0
278.08893	0.6
280.07184	0.6
281.08017	31.8
283.09589	3.0
295.09601	16.1
296.09869	0.6
299.09137	0.9
352.15448	4.2
378.13419	0.8
480.24622	2.0
494.26343	2.2
506.26248	1.0
523.29022	100.0
524.29327	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	523.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	0.6
55.05436	0.6
55.36994	0.5
56.96486	0.6
58.06528	2.5
65.03867	1.1
67.05379	0.5
69.03333	0.6
70.06503	5.1
71.06868	0.5
72.04420	0.6
72.08067	2.9
79.38761	0.7
81.03326	1.0
84.04417	3.7
84.08071	16.1
85.02822	0.8
86.09632	1.2
89.03801	0.9
91.05405	25.3
97.02808	1.0
98.05978	0.6
98.09631	10.3
100.07552	15.6
102.12279	0.5
103.05408	0.7
105.06969	1.0
107.04923	1.3
109.02822	0.6
110.07124	3.2
110.09616	4.6
112.11196	17.3
113.07062	9.9
117.03367	0.7
118.04146	0.7
119.04893	43.0
120.05656	2.9
129.13829	5.3
130.04097	9.4
131.04861	1.0
133.02824	2.6
134.07274	1.0
135.04333	1.1
136.07570	0.8
137.37505	0.6
141.06749	0.7
145.02841	2.0
146.03613	0.8
146.05998	1.0
147.04393	27.0
148.01494	0.7
148.05130	0.6
151.03893	1.0
155.11758	40.4
157.03987	0.9
158.03604	0.6
161.02345	4.4
161.05949	1.0
162.05475	8.4
163.03860	13.7
163.05849	2.8
169.13298	0.9
171.14899	0.9
175.03874	26.9
176.04646	32.6
177.05423	2.3
178.07782	2.5
179.08504	2.7
182.07185	0.9
189.07127	1.1
193.06508	0.9
207.08011	4.9
208.75571	0.6
210.06747	1.3
212.17480	4.1
214.19138	0.9
221.06020	1.3
221.09595	1.2
222.06610	0.8
225.09084	2.2
229.20227	8.3
234.06715	3.1
235.07460	5.3
238.06287	0.8
249.09035	0.9
249.39224	0.6
252.07626	0.7
253.08565	2.9
262.06161	2.2
263.06955	10.0
267.09967	0.8
270.04370	0.8
277.08578	2.8
280.07318	2.4
281.08051	19.8
281.10995	1.1
283.09509	4.4
295.09586	46.4
296.10016	1.4
299.09149	1.3
320.09024	0.7
321.07587	2.3
323.05487	0.7
350.13013	0.7
352.15332	4.7
361.24548	0.6
378.12885	1.3
378.17157	1.0
380.14792	0.7
441.58444	0.6
449.20679	3.3
480.24869	2.9
494.26376	5.7
506.26651	0.8
523.29059	100.0
524.29712	8.6
526.36316	0.7
532.09686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02812	0.4
54.81825	0.4
55.05445	0.9
57.03375	0.8
57.07011	3.7
64.52735	0.4
67.05397	0.5
68.79707	0.4
69.06988	1.0
71.08556	1.7
81.06964	0.5
83.08535	0.6
85.10106	0.6
92.10927	0.6
92.65740	0.4
95.08537	0.9
97.10083	0.9
125.09602	0.8
152.96959	0.4
171.22661	0.5
182.22272	0.4
211.09357	5.7
211.40970	0.5
216.70569	0.4
217.65851	0.4
267.12054	1.1
313.27414	2.3
417.00635	0.5
432.46982	0.5
459.03305	0.5
523.35974	100.0
524.36304	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	524.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04980	5.1
56.82082	2.9
58.99509	16.7
69.03344	7.6
70.06509	28.9
71.04901	3.4
72.08061	8.1
72.14907	2.8
76.02145	40.8
76.56702	3.0
78.04625	4.0
79.05392	4.7
81.03340	41.9
81.06935	3.6
84.04404	14.1
84.08060	24.6
85.02818	17.1
86.98975	7.3
90.95583	3.0
91.05386	12.6
92.23791	3.7
95.04897	7.7
97.02792	7.4
103.05392	14.3
105.00019	14.4
107.04880	5.5
110.07104	5.2
115.05407	38.4
117.06966	55.2
119.04902	5.2
121.02840	4.2
122.02686	62.2
122.03521	6.8
124.03886	3.7
126.24369	3.2
127.03988	3.3
128.06068	4.7
129.10197	3.5
130.06413	4.3
131.04866	5.2
133.06430	3.6
134.60588	4.0
137.05952	40.4
143.04933	4.7
145.06468	66.9
147.04375	22.6
151.03835	24.4
155.05968	11.3
156.05641	34.2
157.06400	6.4
159.04385	19.8
160.05180	28.0
161.05890	6.4
162.05424	5.0
167.06992	100.0
171.04298	7.9
172.05127	16.3
173.05963	30.8
175.07498	43.6
177.05428	14.2
181.04965	4.6
187.07472	27.1
189.05428	15.6
190.06241	30.5
191.06943	5.3
195.61430	3.1
199.03842	6.1
200.04593	15.2
201.05434	22.0
202.06197	4.4
203.08551	4.5
205.08574	5.1
205.10538	4.9
216.04268	4.3
216.08725	13.6
217.04922	12.5
217.08542	85.9
219.06387	24.9
223.07372	4.4
226.06146	5.7
228.04224	6.6
229.04863	7.9
231.06529	21.4
234.06700	6.8
235.09610	4.1
237.02936	3.4
237.09155	4.0
241.08548	20.2
246.05139	4.3
249.07358	5.5
261.07462	42.6
265.08395	3.8
269.07935	6.1
277.08417	4.6
292.07343	3.6
293.07974	3.9
295.09344	3.8
301.10583	21.5
307.09583	4.9
309.11105	21.2
326.11411	7.1
341.13736	7.4
385.12753	23.8
392.78040	4.0
393.14908	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	524.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04980	5.1
56.82082	2.9
58.99509	16.7
69.03344	7.6
70.06509	28.9
71.04901	3.4
72.08061	8.1
72.14907	2.8
76.02145	40.8
76.56702	3.0
78.04625	4.0
79.05392	4.7
81.03340	41.9
81.06935	3.6
84.04404	14.1
84.08060	24.6
85.02818	17.1
86.98975	7.3
90.95583	3.0
91.05386	12.6
92.23791	3.7
95.04897	7.7
97.02792	7.4
103.05392	14.3
105.00019	14.4
107.04880	5.5
110.07104	5.2
115.05407	38.4
117.06966	55.2
119.04902	5.2
121.02840	4.2
122.02686	62.2
122.03521	6.8
124.03886	3.7
126.24369	3.2
127.03988	3.3
128.06068	4.7
129.10197	3.5
130.06413	4.3
131.04866	5.2
133.06430	3.6
134.60588	4.0
137.05952	40.4
143.04933	4.7
145.06468	66.9
147.04375	22.6
151.03835	24.4
155.05968	11.3
156.05641	34.2
157.06400	6.4
159.04385	19.8
160.05180	28.0
161.05890	6.4
162.05424	5.0
167.06992	100.0
171.04298	7.9
172.05127	16.3
173.05963	30.8
175.07498	43.6
177.05428	14.2
181.04965	4.6
187.07472	27.1
189.05428	15.6
190.06241	30.5
191.06943	5.3
195.61430	3.1
199.03842	6.1
200.04593	15.2
201.05434	22.0
202.06197	4.4
203.08551	4.5
205.08574	5.1
205.10538	4.9
216.04268	4.3
216.08725	13.6
217.04922	12.5
217.08542	85.9
219.06387	24.9
223.07372	4.4
226.06146	5.7
228.04224	6.6
229.04863	7.9
231.06529	21.4
234.06700	6.8
235.09610	4.1
237.02936	3.4
237.09155	4.0
241.08548	20.2
246.05139	4.3
249.07358	5.5
261.07462	42.6
265.08395	3.8
269.07935	6.1
277.08417	4.6
292.07343	3.6
293.07974	3.9
295.09344	3.8
301.10583	21.5
307.09583	4.9
309.11105	21.2
326.11411	7.1
341.13736	7.4
385.12753	23.8
392.78040	4.0
393.14908	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	524.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56442	0.2
56.55050	0.3
63.61922	0.2
63.88052	0.3
69.03347	0.5
69.29087	0.3
70.55389	0.3
71.04929	0.3
76.32949	0.3
78.85732	0.3
85.02818	0.7
91.05403	15.4
93.06988	0.4
95.04892	7.1
103.05409	0.6
107.04888	0.5
107.99418	0.3
109.06518	0.5
118.06461	0.4
119.04897	28.7
121.06477	2.2
123.04382	53.2
127.03841	0.4
132.11128	0.3
136.07552	100.0
137.05931	0.3
137.07843	1.3
147.04387	17.8
163.04095	0.3
165.05438	54.1
166.05785	0.7
181.05267	0.3
182.08089	50.5
183.08504	0.5
219.88455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51832	0.4
55.01815	0.6
56.51202	0.3
63.93514	0.4
69.03342	2.4
75.76219	0.4
76.56358	0.4
85.02823	5.6
87.84251	0.4
90.05936	0.4
91.05408	15.3
95.04890	10.4
97.02801	1.8
103.05408	0.9
118.06496	0.7
119.04890	32.8
120.05193	0.6
121.06457	2.6
123.04382	70.2
124.04691	2.4
127.03871	1.8
136.07549	100.0
137.07910	1.7
143.01859	0.4
145.04953	0.5
147.04387	18.3
161.02980	0.6
163.06084	0.4
165.05435	63.6
166.05774	1.8
173.02956	0.5
182.08083	54.1
183.08359	0.7
193.82623	0.4
203.04012	0.6
238.33620	0.5
245.05055	1.0
246.67416	0.6
273.08319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40282	3.5
55.01815	3.6
55.05480	3.9
56.53097	3.5
57.03368	9.8
57.07025	4.4
61.02853	8.9
65.56224	3.4
67.81050	3.6
69.03341	40.9
70.06520	7.0
71.57533	3.9
73.02825	22.3
79.05405	30.2
80.03637	4.0
81.03337	5.3
81.06974	6.8
83.04900	4.8
85.02827	100.0
90.79997	4.4
91.05429	7.2
93.06990	32.2
95.08537	5.2
97.02822	55.3
107.08575	9.8
109.02832	7.0
115.03902	9.2
125.05975	25.4
127.03864	17.4
133.04922	7.3
133.10071	7.7
135.11662	68.2
136.46628	4.6
139.07552	5.8
145.02855	7.4
145.04935	17.6
146.05997	8.7
147.04413	7.0
150.05490	32.2
162.05521	6.1
168.06508	5.7
177.05379	6.5
177.12692	7.8
195.13780	91.5
210.32697	4.6
304.76648	5.3
357.09598	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	524.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17363	18.2
51.82515	15.7
52.87505	15.8
54.61336	20.1
55.05452	18.6
73.02827	25.5
79.05401	32.3
81.03327	22.9
81.06969	25.3
83.04903	22.0
85.02820	44.8
86.91462	17.0
93.06972	100.0
97.06448	22.8
98.16762	20.8
105.06983	19.3
106.02838	27.7
107.08504	21.0
107.74446	21.7
117.06954	21.0
123.09079	20.0
124.03893	35.7
127.03915	22.7
131.08467	22.0
135.11682	41.5
143.61578	21.4
146.05902	18.7
147.04399	22.7
153.45219	19.1
162.05472	44.8
193.08488	29.8
195.13969	22.4
252.74289	22.7
271.27460	23.8
347.20648	20.9
416.76434	21.1
419.46603	26.2
425.51917	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	524.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	2.7
55.01789	3.4
55.05449	6.5
55.73682	2.8
57.03357	14.8
57.07006	6.2
61.02840	13.7
67.05418	16.4
69.03358	25.9
69.06978	13.3
69.69070	2.9
70.06481	3.1
71.04893	3.7
73.02478	4.6
73.02827	66.9
74.70698	3.2
78.03361	3.0
79.05400	64.3
79.19912	3.0
81.03340	33.1
81.06963	23.8
83.04898	26.8
85.02817	29.6
91.05413	37.2
93.06969	80.9
93.07536	6.3
95.04877	12.2
95.08531	16.8
96.38358	3.4
97.02816	36.5
97.06431	7.2
99.04378	5.5
105.06934	18.5
106.02829	5.6
107.04893	14.4
107.08537	49.4
109.02809	12.8
109.06436	5.1
109.10074	3.7
115.03918	7.6
117.03332	14.5
117.06930	16.8
119.04896	23.7
119.08543	14.0
120.20403	3.6
120.58670	3.0
121.06439	13.8
121.10077	4.9
124.03917	23.2
125.05939	15.1
127.03861	6.8
129.06984	3.9
131.08514	19.5
133.06429	7.9
133.10098	35.6
135.08002	12.8
135.11664	100.0
139.07541	4.9
145.02817	35.9
145.10059	4.4
147.04370	22.4
147.11707	7.4
149.05980	4.9
149.09570	5.6
149.13232	30.8
153.09090	4.6
153.12726	3.7
159.11650	18.4
162.05479	24.0
175.03886	16.9
175.11111	12.3
177.05386	39.7
177.12726	62.1
187.11063	3.9
195.13712	37.9
203.50827	3.1
205.12192	5.9
207.06421	20.5
217.12175	3.7
285.14816	5.2
303.15881	20.1
321.16779	27.6
339.17920	42.2
357.18930	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86562	1.7
55.05437	2.0
55.35403	1.6
58.06514	2.2
60.08085	12.5
67.05421	11.4
69.06986	4.1
72.12466	2.0
79.05378	4.3
81.06976	7.9
87.31101	1.9
91.05409	4.7
93.06950	3.6
95.08525	7.8
96.58327	2.0
99.01347	3.3
107.08563	3.4
109.10128	2.4
121.10072	3.5
125.01650	8.4
126.02428	60.2
127.03208	53.8
131.60689	1.9
145.04279	29.3
145.53557	2.5
157.06651	2.5
162.05449	2.4
170.07335	2.7
185.09753	100.0
186.10394	2.7
263.11990	4.2
276.65424	2.1
291.11502	3.1
421.25101	21.8
480.25696	3.2
480.32440	74.4
481.32703	2.7
524.31317	8.8
525.30688	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17569	0.5
51.84100	0.5
55.01804	2.9
55.05453	10.7
55.50050	0.5
57.03356	0.6
57.07009	1.2
58.06522	2.5
59.07294	0.6
60.08099	21.0
65.03854	0.8
67.05424	9.7
67.36206	0.6
68.04941	3.4
69.05730	5.6
69.06985	11.4
70.06491	0.7
71.04877	0.5
71.08563	0.6
79.05409	10.3
81.03343	1.0
81.06973	12.8
83.04890	4.7
83.08541	2.5
83.39220	0.7
86.00549	1.0
91.05408	6.3
92.10941	1.1
93.06524	0.7
93.06985	11.2
95.04922	4.9
95.05400	0.6
95.08533	10.7
97.06444	1.5
99.01344	3.8
100.02132	3.7
105.06985	5.3
107.08549	6.9
109.06476	2.6
109.10100	4.1
111.08061	0.7
113.01633	0.8
113.10716	1.0
117.06934	0.7
119.08528	4.8
121.10081	3.4
123.08044	1.5
125.01694	1.3
126.02443	26.9
127.03223	69.3
128.03566	0.7
129.04726	0.7
133.10085	2.6
135.11647	1.2
137.09579	4.1
139.11211	1.0
140.38586	0.6
143.08466	0.9
145.04289	58.7
146.04561	0.9
147.11682	1.4
157.06631	2.5
161.13228	1.5
165.12712	2.9
170.07457	1.0
179.14304	1.0
184.08994	3.9
185.09776	43.4
186.10509	4.3
199.34109	0.6
259.20694	0.7
277.21561	5.3
295.22562	0.9
421.25058	6.8
480.32489	100.0
481.32837	8.5
524.31396	14.1
525.31793	1.5
531.26031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17402	1.2
54.81358	1.3
55.05445	11.4
57.03374	33.2
57.07014	73.7
60.08091	2.0
67.05434	22.5
67.06989	1.3
69.03343	9.8
69.06991	19.3
71.01263	1.8
71.08546	50.1
73.02809	1.9
74.06007	5.3
74.09633	12.4
75.04397	13.9
81.06977	27.0
83.08546	22.2
85.02829	92.8
85.10108	22.8
86.09627	13.3
87.09947	2.8
89.05968	2.2
92.10266	5.1
93.05468	12.3
93.06980	2.6
95.01254	55.9
95.08530	39.5
97.02824	12.9
97.10097	10.6
99.00744	2.6
104.10694	18.1
105.11024	2.8
109.10115	16.3
112.99981	2.8
113.02306	26.2
120.22546	1.8
123.11662	8.8
124.99960	7.3
131.03383	29.4
137.13249	2.3
141.01805	100.0
151.86131	1.6
159.02902	16.9
184.07288	20.1
185.07655	7.6
239.23627	32.4
257.24707	11.7
313.27237	8.7
339.28693	2.0
415.26770	43.3
524.35699	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	524.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	12.0
57.03370	5.0
57.07012	78.2
57.97752	2.1
67.05441	24.3
69.06976	18.0
70.86227	2.3
71.08549	54.1
74.05997	4.8
74.09636	6.0
76.37874	2.5
76.57030	2.7
76.99077	2.2
77.49312	2.1
79.05400	3.1
80.49609	2.7
81.06980	30.8
83.08538	19.8
85.02848	11.0
85.10112	29.6
86.09583	3.6
95.01256	11.9
95.08537	50.1
97.10092	4.0
106.52889	2.3
109.10135	14.3
110.72575	2.6
113.02285	3.4
119.21799	2.7
121.25011	2.5
123.11669	6.0
124.99964	3.0
141.01831	11.3
146.71545	2.6
169.02625	4.9
174.97208	2.6
184.07423	4.1
199.32298	2.5
200.18465	2.4
228.02284	2.8
239.23611	29.6
313.27335	100.0
314.27716	3.5
331.28342	22.9
448.19577	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	524.3711
Annotation	enantio-PAF C-16
Peak:m/z	Relative Intensity
50.98391	0.7
55.05437	1.2
56.96477	0.8
57.06995	1.1
59.04907	0.8
60.08089	8.1
66.31886	0.7
67.05423	1.0
71.07272	4.9
71.08547	0.9
75.05124	0.9
79.05393	1.0
81.06963	1.5
86.09624	47.7
92.10343	1.0
93.30149	0.8
94.25034	0.8
95.08474	0.9
98.98362	4.0
104.10670	4.5
124.99960	35.9
143.01022	1.0
184.07304	100.0
185.07811	0.9
280.82315	1.0
294.52692	0.8
328.71399	1.0
413.32214	0.9
524.36859	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	524.3707
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.76889	0.7
54.82314	0.7
57.07008	5.6
57.74535	0.8
59.46358	0.8
60.08092	22.9
67.70145	0.8
67.96269	0.9
71.07285	11.0
71.08543	1.9
86.09624	74.3
89.07130	0.8
90.58251	1.0
95.08536	1.2
95.87129	0.9
98.98396	7.4
104.10675	98.8
124.99957	49.9
126.73108	0.9
128.05907	0.9
137.42676	0.8
141.10936	0.8
184.07291	100.0
185.07544	1.7
241.35324	1.1
258.10901	1.1
292.23465	0.9
295.02121	0.8
341.30121	1.3
354.98035	0.9
414.25000	0.9
506.35922	9.2
524.36993	42.6
525.37384	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02917	1.1
54.15759	1.1
55.05422	1.4
58.06528	1.5
70.06500	9.2
72.04427	1.9
72.08056	7.1
77.03119	1.1
79.05396	2.8
81.03313	1.4
84.04424	2.0
84.08067	46.1
85.02836	3.4
86.09641	2.0
91.05408	23.3
92.10237	1.5
95.04877	1.6
98.05975	1.5
98.09630	26.1
100.07549	29.1
107.04883	3.0
110.07112	2.9
110.09624	2.9
112.11205	21.9
113.07092	12.5
117.03317	7.5
119.04899	47.9
120.05697	34.6
127.08609	5.2
129.13815	8.0
135.04399	13.4
136.07574	2.5
145.02811	14.0
145.29579	1.4
146.03587	11.3
146.05986	2.1
147.04405	24.0
148.04836	1.6
155.11772	49.4
162.05472	8.0
163.03835	10.2
169.13342	5.2
177.05431	7.1
184.14455	1.3
195.08025	1.5
204.10222	2.1
212.17638	1.9
214.19063	5.3
219.08141	1.5
223.07608	2.3
224.04276	1.4
225.09001	7.6
229.20149	6.8
238.15488	5.3
251.06978	37.4
253.08553	3.1
254.18561	2.3
257.03287	2.0
265.08542	44.4
267.85211	1.6
291.06302	1.5
322.14365	9.3
348.12109	7.8
350.13702	1.9
405.17822	1.9
419.19415	2.1
475.27121	2.0
476.25232	2.6
493.28030	100.0
494.28336	6.7
525.30597	41.1
526.30823	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91851	1.2
55.05442	1.9
56.04981	1.7
60.54110	1.3
69.03350	1.5
70.06512	10.7
72.08065	8.4
78.83068	1.2
79.05395	2.2
81.03363	1.5
81.06969	2.2
84.07595	2.5
84.08065	48.8
85.02822	1.9
86.09633	1.8
89.03821	6.1
91.05406	21.9
97.02808	3.0
98.09635	33.2
100.07548	29.1
107.04888	8.0
109.02830	2.1
110.07093	1.3
110.09627	5.5
112.11195	22.5
113.07090	12.6
117.03320	10.7
119.04891	45.4
120.05701	32.4
127.08637	2.8
127.51966	1.4
128.55956	1.2
129.13823	6.8
131.04855	2.1
135.04350	12.1
136.07466	1.6
145.02806	16.2
145.92027	1.2
146.03638	16.8
146.05945	2.9
147.04393	27.7
148.04848	1.6
151.03870	1.6
155.11777	49.6
162.05516	6.7
163.03874	6.9
167.08501	1.5
169.13336	7.3
171.14900	2.3
177.05417	8.0
177.64304	1.3
184.14342	1.8
195.08015	2.4
203.09271	1.4
204.10167	2.7
210.12279	1.9
214.19133	5.8
219.08003	1.7
223.07489	2.5
225.09016	3.3
229.20172	9.0
238.15364	3.1
247.07556	1.9
251.06956	33.7
253.08455	2.6
254.18544	2.7
257.03281	1.5
263.06854	1.7
265.08527	50.0
269.08066	2.1
274.99576	1.5
291.06055	1.8
306.01230	1.4
322.14090	9.6
348.12125	7.0
348.15970	1.5
419.19620	1.6
464.24728	1.7
475.26752	2.3
476.25098	2.3
493.27988	100.0
494.28287	6.6
525.30560	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85020	0.4
54.81910	0.5
55.05442	0.8
57.03360	1.2
60.46654	0.4
61.02848	2.0
64.74472	0.4
67.05403	0.6
67.90028	0.5
69.03347	3.6
69.03673	0.5
70.06492	1.0
71.04892	1.1
72.08066	3.5
73.02814	0.5
80.43394	0.5
81.03323	0.9
84.04395	0.7
85.02822	15.2
90.05423	0.5
90.55559	0.5
95.01242	0.8
95.01962	0.6
95.04881	0.6
97.02793	3.1
98.05991	1.1
99.04343	0.6
104.48576	0.5
109.02824	1.2
110.03606	5.1
110.07079	0.5
111.04383	1.2
115.08639	0.7
117.03317	1.1
121.98274	0.5
123.04321	0.8
125.05946	33.2
127.03833	3.9
139.03865	4.6
141.05530	0.5
144.08040	0.7
145.02827	4.9
145.04918	2.8
153.05435	73.5
154.06216	22.0
155.03329	2.6
155.06915	0.6
163.05946	0.5
167.07004	0.6
169.04924	0.7
170.05695	12.5
177.05431	8.1
178.05887	0.7
185.08043	100.0
186.08376	2.0
193.82310	0.5
208.41582	0.5
209.08192	0.6
221.08127	0.8
265.15405	1.0
266.15536	1.1
311.11212	0.8
325.10538	0.6
337.57510	0.5
347.13574	0.7
527.13434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59359	0.4
51.00978	0.4
55.05462	0.4
70.06513	7.6
75.79964	0.5
78.33320	0.4
87.33290	0.5
88.03916	2.5
89.03873	0.5
91.05421	0.7
93.06955	0.4
93.57838	0.5
98.06006	0.6
104.17370	0.6
115.08694	0.5
116.49387	0.5
117.03333	0.6
119.04889	0.6
119.75292	0.5
120.08071	0.6
127.27666	0.4
128.21564	0.4
130.06503	2.5
140.47081	0.4
145.02812	2.0
147.04356	1.0
148.11435	0.6
163.03923	0.6
177.05440	2.2
178.02594	0.6
220.03513	0.5
229.05028	0.6
242.05750	4.0
258.05093	4.5
269.04614	0.7
270.05170	17.4
273.03940	3.8
279.34329	0.5
286.04858	3.3
287.05420	8.0
301.03375	3.9
302.04138	5.3
313.03326	1.9
315.04935	67.8
316.05652	8.0
329.72189	0.6
331.08060	100.0
332.08374	3.5
382.37070	0.6
386.60974	0.6
527.15277	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	527.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61027	1.1
61.44687	0.9
76.66699	1.0
81.03326	6.1
89.03825	1.8
91.05398	11.9
99.04391	2.6
109.02818	7.0
117.03327	5.5
119.04887	33.7
127.03883	5.5
145.02824	13.2
147.04387	100.0
148.04750	1.7
149.06041	1.6
169.04944	14.2
177.05368	12.5
181.20758	1.2
255.06622	1.3
273.07535	2.6
325.06110	1.8
482.32837	1.4
500.48251	1.4
527.20831	1.3
527.30176	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1547
Annotation	Salcolin B
Peak:m/z	Relative Intensity
54.82117	0.2
68.78732	0.3
70.06455	0.3
91.05355	0.6
109.00732	0.3
112.58727	0.3
117.03322	0.5
119.04862	1.2
120.85091	0.3
145.02782	1.7
147.04358	1.5
153.01752	1.7
154.02534	0.3
177.05400	1.6
178.02592	1.1
241.04863	0.5
242.05717	4.8
245.04715	0.4
258.05215	4.8
269.04465	0.4
270.05157	16.9
271.05591	0.6
273.03882	2.1
285.03751	0.6
286.04642	2.3
287.05453	7.3
299.05392	1.8
301.03381	3.4
302.04074	5.1
313.03278	1.3
315.04919	67.6
316.05551	8.4
331.08044	100.0
332.08398	3.6
527.15411	9.8
527.23163	0.6
528.15802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1581
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
52.83866	0.4
58.34311	0.4
69.03352	1.1
85.02822	2.2
97.02815	0.9
98.97491	0.7
123.04372	0.8
127.03908	1.1
136.07570	2.1
165.05562	0.7
173.02954	0.8
184.07388	0.7
185.04251	2.8
193.84392	0.6
203.05254	9.5
218.43509	0.6
245.04965	0.7
245.52084	0.6
273.58136	0.8
303.95486	0.5
305.08325	2.3
314.02136	0.6
335.09451	2.9
347.09583	2.1
365.10474	100.0
366.10889	4.2
385.45959	0.6
527.15747	79.3
528.16028	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	527.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.3
55.05220	0.2
55.05452	2.5
55.28259	0.3
58.14462	0.2
69.03334	1.3
70.06490	0.6
72.08077	0.4
81.03341	2.3
81.06970	0.4
83.08538	1.1
84.16130	0.4
85.02826	0.6
91.05409	0.5
92.10456	1.7
97.02820	2.0
99.04382	0.3
100.07530	0.5
100.11189	4.9
101.07793	0.3
101.11506	0.4
109.02827	3.5
111.04391	0.7
117.03334	0.7
118.06494	0.4
119.04884	1.1
120.05246	0.3
126.09059	0.3
126.98447	0.3
127.03867	1.1
128.04916	2.4
128.07005	0.4
132.04411	1.7
140.06981	0.5
145.02820	2.9
146.05986	100.0
147.04420	2.6
147.06326	1.2
148.04753	0.5
174.05452	10.9
177.05405	3.6
182.15367	3.7
183.15816	0.4
192.06526	8.6
209.16527	0.5
210.14888	2.8
211.15178	1.1
235.01541	0.3
242.28072	0.3
246.07590	0.6
300.08524	0.6
305.74805	0.3
318.09698	1.7
326.06024	0.3
336.10834	0.6
375.24338	0.3
411.19135	0.6
526.87000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.3
55.05449	0.1
56.96510	0.1
66.36295	0.1
69.03350	1.4
70.06492	0.3
71.04896	0.3
81.03329	2.3
85.02819	0.9
86.09587	0.1
89.47186	0.1
91.05388	0.3
91.44361	0.1
97.02813	2.0
99.04382	0.3
109.02824	2.7
118.06477	0.6
127.03860	1.2
128.04942	1.7
130.06503	0.2
132.04404	1.8
140.53886	0.1
145.02821	0.1
146.05981	100.0
147.04326	0.2
147.06323	1.2
162.05428	0.2
174.05457	10.8
177.05469	0.3
188.93938	0.2
192.06522	7.7
207.06482	0.2
213.93420	0.1
222.32535	0.1
246.07579	0.3
251.07100	0.2
265.08624	0.2
269.85150	0.1
300.08447	1.0
307.09509	0.2
308.06705	0.2
318.09644	1.8
325.10480	0.2
336.10788	0.9
345.08594	0.2
450.57227	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	527.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07008	1.8
61.77764	1.3
63.81507	1.1
74.09631	2.0
81.06955	1.4
89.05399	1.4
89.05946	34.0
90.06281	2.5
133.08578	11.7
139.51096	1.2
161.43394	1.3
177.11212	1.4
215.14314	5.0
218.38573	1.3
256.26471	1.8
306.15939	5.6
319.16592	1.6
327.20120	13.6
328.20462	3.1
373.91437	1.3
526.41113	1.9
527.31165	100.0
528.31213	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	527.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00536	0.4
57.07012	6.5
62.06015	0.4
70.06514	10.4
71.08530	2.0
72.08067	1.0
81.03338	0.5
81.06985	0.4
85.10093	0.8
85.65894	0.4
86.09611	0.8
88.07549	15.0
88.08049	0.8
89.03826	4.2
91.05407	0.7
102.09112	5.7
104.10674	0.6
106.08613	7.6
117.03327	10.0
118.03650	0.6
119.04883	0.9
121.24625	0.4
134.03546	0.6
135.04379	0.7
145.02824	17.4
146.03189	0.9
147.04385	2.3
149.05965	2.6
151.11166	0.5
177.05421	15.4
178.05739	0.7
184.07321	2.5
201.42902	0.4
202.21614	0.9
228.23166	6.8
246.24222	100.0
247.24527	2.4
262.38348	0.4
270.31796	0.5
293.21045	0.5
329.99841	0.4
345.05325	0.7
430.09381	0.6
447.57874	0.5
528.32806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01525	0.2
53.03891	3.1
55.01816	3.9
55.05439	0.4
56.04982	0.3
56.25158	0.2
57.03362	2.1
60.04453	0.5
61.02859	0.5
63.37230	0.3
67.05421	0.2
69.03356	3.8
70.06506	2.7
71.04912	2.6
72.08060	0.4
73.02832	3.0
78.30673	0.2
81.03336	21.2
83.01244	0.3
84.08086	0.3
85.02822	4.4
91.62357	0.3
97.02822	37.5
98.03162	0.4
99.04383	18.6
103.03885	0.4
109.02829	100.0
110.03165	1.3
110.07122	0.4
119.04932	0.5
127.03876	17.7
128.98459	0.3
139.03880	0.5
145.02899	0.6
145.04932	9.4
147.04330	0.5
150.07753	1.3
162.05472	0.6
169.04951	1.4
177.05443	0.5
181.04788	0.3
187.06021	0.5
205.07039	21.7
210.14592	0.3
229.06949	0.3
237.02856	0.5
280.62958	0.3
282.02838	0.3
288.89017	0.3
289.09143	0.6
340.89212	0.3
350.37372	0.3
377.14609	0.3
381.09506	0.3
409.78973	0.3
546.06519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05191	1.1
55.05453	26.8
55.05713	1.3
55.68053	0.6
57.03102	0.7
57.03375	15.4
57.06767	0.9
57.07016	13.1
67.05429	17.6
69.06989	33.4
71.08555	6.0
73.74908	0.7
79.05417	7.5
81.06974	17.7
83.04911	0.9
83.08543	19.9
85.10106	1.6
85.56570	0.6
87.83256	0.6
89.05946	3.8
91.05399	0.8
92.10902	0.8
92.64069	0.7
93.06970	11.1
95.08530	18.4
95.87528	0.7
97.06422	2.9
97.10098	13.2
98.98401	6.9
99.15281	0.7
105.82015	0.6
107.08540	5.6
109.10109	9.6
111.08005	1.0
111.11665	3.7
121.10096	10.7
123.11633	1.6
133.08572	0.9
135.11662	7.3
142.25256	0.8
148.99260	0.7
149.13248	2.9
155.01016	2.8
165.16284	0.7
172.95253	0.9
186.96741	5.2
190.96217	1.4
204.97778	6.2
228.97711	0.9
265.25266	1.2
337.20465	2.9
339.28867	100.0
340.29208	3.2
475.27795	1.7
487.21133	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	529.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27591	0.2
64.73629	0.2
73.78050	0.2
73.88363	0.3
74.02355	1.3
91.05394	0.4
115.05420	1.7
117.05708	1.0
117.07001	1.5
118.06503	26.8
130.06511	1.6
132.08061	8.0
135.06470	0.3
142.06523	2.7
143.07300	2.7
144.04410	0.6
144.06943	0.6
144.08073	17.1
146.05998	100.0
147.06325	1.6
159.09151	9.6
160.07545	1.3
170.05975	6.5
188.07042	99.1
189.07440	2.4
205.09697	26.0
205.11665	0.6
206.09999	0.5
371.73972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05427	0.4
56.96498	8.4
59.44988	0.3
61.07395	0.3
61.95104	0.4
62.12560	0.4
64.08656	0.4
65.98407	0.4
72.58627	0.4
79.76751	0.4
92.10212	1.7
95.08485	0.4
102.92535	1.8
120.93586	0.6
122.39148	0.4
136.93050	3.2
150.94749	0.9
154.94145	10.0
168.95648	7.0
172.95187	32.3
186.96747	73.3
190.96243	25.8
190.97995	0.4
195.96738	0.8
204.97816	100.0
209.98434	5.0
210.96773	2.8
212.98344	0.6
222.98886	3.2
224.98259	3.6
227.00003	1.5
227.99370	2.8
228.97792	11.7
230.99371	0.5
242.99371	12.0
245.00764	3.2
246.98856	2.2
261.00418	2.4
266.00989	0.7
319.19254	0.5
321.20865	2.6
337.20270	3.6
339.21967	17.3
350.25623	0.4
357.23126	3.9
362.23611	0.6
401.17471	1.0
419.18677	0.5
429.20670	1.8
433.19748	3.2
442.44769	0.5
447.21887	0.8
457.19968	2.8
471.21677	2.5
475.21204	30.7
489.22778	36.6
490.22995	2.0
493.21579	0.5
498.22629	0.7
507.23727	1.0
529.29761	5.3
530.30103	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	530.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81102	2.3
51.47079	2.3
55.05443	6.2
57.06764	2.2
57.07008	23.3
60.04435	2.8
62.18158	2.8
64.30887	2.5
67.05406	11.5
69.03345	3.1
69.06979	13.0
73.02841	3.0
74.05983	3.4
79.05408	13.4
81.06970	12.0
83.04942	4.0
85.02837	5.0
85.06452	13.6
89.05933	2.7
91.05402	43.0
93.06960	5.7
95.08522	6.4
105.06978	10.2
109.06474	5.0
111.08012	3.8
120.08047	5.4
127.07480	14.0
133.10091	100.0
145.11314	2.6
147.08130	3.7
149.09589	32.2
153.09122	3.8
171.10149	10.5
189.11182	7.0
205.29807	2.8
242.56519	3.0
283.16489	2.8
531.38483	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	531.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82983	0.2
53.03879	0.2
55.05439	0.8
55.84953	0.2
55.99301	0.2
57.03371	0.3
62.60464	0.2
65.03836	0.2
67.05410	0.2
68.52224	0.2
69.03347	1.8
70.06493	1.4
71.04890	0.5
72.08052	0.5
79.05398	0.2
81.03332	3.7
81.06978	0.5
84.04398	0.3
85.02824	2.0
86.09593	0.3
89.03857	0.2
91.05401	1.1
97.02824	2.3
99.04372	0.6
106.06515	0.2
107.04882	0.4
109.02828	4.6
109.06454	1.1
110.07140	0.4
116.04921	0.5
119.04916	0.8
124.03850	0.2
127.03837	2.2
127.07522	1.1
130.35013	0.2
134.05957	2.2
144.04427	1.2
145.02838	0.4
146.06023	0.5
146.99605	0.2
147.04391	2.2
148.03886	0.4
149.05907	0.3
151.03870	0.4
157.08551	0.3
162.05457	100.0
163.05769	2.9
173.08029	0.5
175.03812	0.4
177.05447	1.4
180.98990	0.3
189.08830	0.2
190.04927	11.5
191.05322	0.4
207.06454	1.0
208.06001	9.4
229.49588	0.2
237.09087	0.3
270.07553	0.4
282.02737	0.4
298.07123	0.3
308.06754	1.0
316.08032	1.2
334.09116	4.5
352.10345	2.5
478.16794	1.1
484.16733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	0.8
55.05454	20.3
57.03378	10.9
57.06995	1.1
59.62507	0.7
66.29946	0.6
67.05431	34.6
69.03388	0.6
69.06988	19.6
70.06504	1.2
71.04918	0.8
79.05409	10.3
81.06975	32.5
82.07334	0.8
83.08546	9.3
91.05409	9.2
93.06972	11.2
95.08533	25.8
97.06452	1.8
97.10095	4.4
105.06976	5.4
107.08546	5.5
109.10120	8.9
109.13821	0.7
115.03667	1.3
119.08549	5.0
121.10107	2.9
123.07997	0.9
123.11671	1.8
128.18527	0.9
133.10077	3.3
135.11668	0.9
161.13290	0.8
174.98497	5.6
175.14851	1.0
176.99217	6.8
195.00272	100.0
201.00029	0.9
213.00066	6.4
337.27307	18.9
360.86935	0.8
377.26761	1.1
439.22488	0.9
513.26404	1.0
531.26801	40.5
531.35077	1.3
532.27051	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	531.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	1.1
55.68520	0.2
57.03368	0.2
63.89117	0.2
65.03850	0.2
67.05431	0.2
69.03357	2.3
79.05396	1.4
81.03329	0.9
83.04892	2.5
85.02837	1.5
91.05406	8.8
92.10250	0.5
93.06963	0.8
95.04879	0.4
103.05379	0.9
104.06181	1.0
105.06998	1.9
107.08529	2.9
111.04386	1.1
115.05401	0.3
117.06957	2.4
119.08534	100.0
120.08863	2.4
123.08015	0.9
133.06456	9.8
133.07483	0.5
133.71234	0.3
135.08003	1.0
139.41231	0.2
144.08362	0.3
156.09254	0.3
157.10049	0.3
159.11690	0.2
212.80072	0.2
243.10178	0.2
263.12781	1.5
309.27750	0.2
417.93405	0.3
459.17566	0.2
531.27045	0.7
531.38647	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	0.2
54.81314	0.1
55.01809	0.2
55.05439	1.0
56.08075	0.2
56.18773	0.1
57.03377	0.3
59.37122	0.1
61.02838	0.1
65.03860	0.2
67.05430	0.3
69.03349	2.5
70.06514	5.4
71.06850	0.6
78.22286	0.1
79.05410	1.4
81.03326	0.9
83.04896	2.4
85.02827	1.2
91.05409	7.9
93.06971	0.4
95.04868	0.4
99.04407	0.3
103.05382	1.3
104.06183	0.9
105.06981	1.5
107.08546	3.4
111.04384	1.0
115.05408	0.3
116.07047	6.0
117.06881	1.7
119.08540	100.0
120.08875	2.4
120.24296	0.2
123.08027	0.8
125.53409	0.2
129.05446	0.4
129.20653	0.2
133.06467	9.9
133.07500	0.6
135.08031	1.7
157.10112	0.3
171.11638	0.2
187.11122	0.2
199.20328	0.2
220.12422	0.2
235.14865	0.3
243.10146	0.2
263.12772	1.0
281.43707	0.2
300.48453	0.2
301.35873	0.2
339.64246	0.2
391.57037	0.2
531.27704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.5
54.81820	0.5
56.96505	0.5
64.33485	0.4
65.47573	0.3
69.03333	1.8
70.06485	2.5
71.04919	0.4
72.08054	0.7
74.05989	0.4
77.03181	0.3
79.05402	2.3
81.03336	5.8
84.08051	2.3
85.02824	2.8
86.09620	0.5
89.03831	9.0
91.05392	2.3
94.76972	0.4
95.04890	0.7
97.02840	0.9
99.04388	0.7
105.87629	0.4
107.04868	4.2
109.02809	1.7
110.07101	1.2
113.24767	0.4
117.03331	14.2
119.04887	2.4
124.03935	0.6
127.03819	1.0
129.10187	0.8
134.06003	0.5
135.04381	30.2
136.04707	0.5
145.02823	22.4
146.03133	0.7
146.05963	1.8
147.04387	5.7
158.47006	0.4
162.05464	26.0
163.03864	100.0
163.43861	0.4
164.04181	1.9
175.03850	0.9
177.05449	4.0
181.04970	0.7
190.04932	2.7
207.06651	0.7
208.05898	3.9
219.77968	0.4
258.18924	0.4
282.02805	0.6
287.54333	0.4
307.07996	2.7
325.09048	1.3
370.11288	0.5
371.26328	0.4
531.27386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.2
54.81936	0.2
55.01804	0.4
57.03360	0.9
57.06998	1.1
61.02857	1.5
69.03008	0.2
69.03347	4.1
73.02827	0.3
81.03333	1.7
85.02828	9.5
85.03349	0.3
85.06462	1.0
86.55829	0.2
87.04382	0.3
89.95782	0.2
91.03866	0.2
97.02832	3.0
99.04379	0.3
109.02827	1.1
116.04918	0.7
127.03886	2.3
134.05959	2.0
144.04472	0.8
145.04941	1.0
146.06010	1.4
148.03925	0.9
158.06000	0.2
159.10207	0.6
162.05469	100.0
163.05791	1.1
163.07101	0.2
172.03874	0.3
174.05403	0.3
177.11180	0.3
186.05438	0.9
190.03210	0.2
190.04955	12.5
204.06511	3.1
208.06015	20.7
224.47926	0.2
232.05983	0.2
309.09042	0.2
345.02551	0.2
370.11246	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	532.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26321	0.1
52.76846	0.1
53.03874	0.3
57.03365	1.0
57.07003	0.2
61.02858	1.2
64.32920	0.1
69.03349	3.7
71.04900	0.4
73.02826	0.2
81.03336	2.1
84.04443	0.2
85.02827	9.2
87.04405	0.4
91.03904	0.2
97.02823	2.8
99.04379	0.3
109.02834	1.7
112.51659	0.2
116.04914	0.4
127.03861	1.8
134.05989	1.7
144.04420	1.4
145.04924	0.4
146.05981	0.3
147.98087	0.2
148.03897	0.8
150.11627	0.1
154.98199	0.2
161.64682	0.2
162.05472	100.0
163.05814	1.1
186.05441	1.1
190.04959	11.2
191.05203	0.2
204.06560	3.7
208.06026	20.5
209.06374	0.3
232.06003	0.3
250.07025	0.6
316.08261	0.2
334.09143	0.8
352.10175	0.7
370.11282	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	532.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05879	0.7
53.03886	1.4
55.01815	1.0
55.05453	18.4
55.26819	0.8
57.03377	6.7
57.07005	5.7
61.02854	10.3
65.03860	1.9
65.29359	0.8
67.05429	100.0
69.03339	3.3
69.06989	18.6
71.04906	1.1
71.08541	1.1
73.02840	3.4
75.04404	0.8
76.55765	0.8
79.05409	62.5
79.19251	0.9
81.06977	99.5
83.08533	8.3
85.02841	8.9
85.06461	1.9
91.03889	3.7
91.05403	31.0
93.06975	88.4
95.04890	6.4
95.08535	77.7
97.02838	5.2
97.06456	5.7
97.10104	5.0
99.08022	1.6
105.06975	26.8
107.08540	50.3
109.06474	2.2
109.09392	1.8
109.10111	35.3
111.08004	1.5
111.11610	1.1
117.06969	12.7
119.08539	19.8
121.09212	1.7
121.10094	47.7
123.08008	1.3
123.11671	15.0
125.09630	0.9
131.08524	26.7
133.10094	19.9
135.11668	31.9
137.13263	3.7
143.08583	1.0
145.10106	18.6
147.11659	11.3
149.09564	0.9
149.13248	22.4
151.11186	1.2
159.11670	16.4
160.49702	0.8
161.13242	11.9
163.14777	11.7
165.12759	1.5
173.13231	16.2
175.14764	4.1
177.12788	0.8
177.16345	3.8
179.14206	1.5
187.14780	11.1
189.00073	6.6
189.16310	1.3
190.00159	2.1
190.96014	1.2
201.16402	2.0
227.01709	2.0
233.22752	1.0
243.21033	24.2
261.22079	69.1
262.22568	1.2
279.23120	1.7
284.53888	1.1
335.25812	11.4
353.26797	24.0
355.24548	1.1
472.23669	1.7
487.53964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02634	0.7
53.00261	1.0
53.03892	1.9
53.39749	0.8
55.05188	1.3
55.05450	21.3
57.03371	8.8
57.07009	5.5
60.09106	0.8
61.02861	10.1
64.72009	0.8
65.03863	1.4
67.05431	100.0
69.03342	1.3
69.06991	17.7
71.04900	2.0
73.02830	2.1
75.04392	1.0
79.05413	61.1
81.06978	99.9
83.04893	1.3
83.08551	10.8
85.02834	9.0
85.06459	2.0
91.03878	1.6
91.04893	1.8
91.05408	28.6
93.06976	76.9
95.04914	6.0
95.08539	85.8
96.08894	0.8
97.02831	3.6
97.06469	3.8
97.10117	4.6
99.08063	1.8
105.06972	23.5
107.08543	50.2
109.06444	1.6
109.10110	37.9
111.07981	1.1
117.06969	12.9
119.08549	18.8
121.10110	39.5
123.11649	16.3
127.74184	0.9
131.08548	21.8
133.10101	19.2
135.11668	28.7
137.13229	4.9
139.11192	0.8
145.10115	18.6
147.11694	11.4
149.13231	24.1
151.14883	1.1
156.06346	1.0
159.11690	14.5
161.13243	10.7
163.11038	0.9
163.14784	10.3
163.44272	0.9
165.12767	2.1
169.63680	1.0
170.98938	1.7
172.95218	4.2
173.13249	14.3
175.14761	2.1
177.16322	3.8
179.14314	1.6
187.14738	8.4
189.00116	4.6
190.00198	1.7
190.96275	2.2
191.14244	1.1
201.16409	2.0
205.15891	1.8
215.17946	1.0
228.01733	1.5
228.97868	1.2
233.19588	1.0
233.22636	1.7
243.21022	23.6
246.31653	0.9
261.22086	67.0
262.22568	1.2
263.23642	0.9
277.58035	0.9
279.23203	3.9
293.53119	1.0
335.25674	20.7
353.26837	30.9
472.24005	1.4
473.19547	4.8
497.30933	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	532.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	2.8
53.03881	5.5
55.01820	6.5
55.05457	34.0
57.03371	4.2
57.07005	17.7
58.80600	2.6
59.43763	2.4
67.05428	100.0
69.03358	35.2
69.06976	29.7
69.08819	2.6
71.04915	4.4
71.08552	6.1
79.05409	41.7
81.03341	50.4
81.06973	86.0
83.04884	3.7
83.08537	14.4
85.02831	35.6
89.05951	19.1
91.05407	32.2
93.06982	49.2
95.04890	13.0
95.08535	68.9
97.02812	20.3
97.06488	3.8
97.10118	4.5
105.06971	28.3
107.08528	22.1
109.02827	6.7
109.06494	7.0
109.10098	25.4
111.08002	3.5
117.06989	5.0
119.08555	23.2
121.10104	18.0
123.04355	3.6
123.08018	3.6
123.11662	5.0
127.03864	12.2
128.60635	3.0
129.06952	4.0
131.08536	17.3
133.06389	3.9
133.10089	11.7
135.11630	4.4
145.10155	12.5
147.11650	12.6
149.13147	3.9
159.11635	4.2
161.13196	5.3
169.10080	3.5
200.96860	2.9
218.56044	2.9
245.15242	3.4
339.28915	3.6
343.26263	4.7
344.62631	3.3
353.24731	3.5
371.25659	19.9
389.26532	23.8
407.27725	24.4
425.28760	6.2
435.36630	15.0
532.38507	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	533.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81255	3.3
55.65601	3.2
56.04964	25.6
56.96503	6.8
58.44600	3.4
61.01084	6.0
69.03349	7.3
70.06505	32.4
71.06853	3.8
72.08067	17.6
73.02795	9.5
79.41837	4.7
81.03349	8.7
83.06021	4.3
84.04426	32.3
84.08049	25.4
85.02792	13.2
86.09614	17.2
89.03858	4.0
91.05405	9.5
92.10853	6.8
95.06033	4.5
97.02802	9.3
99.03317	4.3
101.07108	6.2
104.05247	6.6
109.02824	9.4
110.07115	66.4
116.98537	6.5
117.03326	7.3
119.04885	6.6
120.08064	5.8
121.02808	5.8
124.03900	6.7
128.78229	3.7
130.06462	7.4
133.10092	8.8
134.02818	5.0
145.02846	34.4
146.05992	66.3
147.04402	28.2
156.07672	8.6
158.05998	4.9
161.06102	6.1
162.05481	52.9
163.03835	5.4
163.05771	5.1
174.05568	4.3
177.05392	35.1
178.05722	5.2
207.06575	17.6
208.06047	6.2
221.10370	4.2
227.05179	40.8
266.67722	4.5
285.10062	8.7
329.08347	74.4
444.43991	4.1
533.14606	100.0
533.21857	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	533.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.3
55.05439	0.5
56.96496	0.2
57.03360	0.3
59.04946	0.2
65.03861	0.4
69.03347	1.8
70.06503	0.9
71.04913	0.4
72.08081	0.2
73.06458	0.3
81.03339	3.1
81.59352	0.2
83.04888	0.3
84.04426	1.0
84.08067	0.9
85.02831	2.7
85.74245	0.2
86.09609	0.4
91.05402	1.5
91.48024	0.2
92.10889	0.4
95.04877	0.9
97.02831	3.3
99.04391	0.4
101.05943	1.2
105.06969	0.2
107.04894	1.6
109.02155	0.3
109.02833	4.7
110.07107	0.5
116.04921	1.2
119.04902	2.3
120.04424	2.8
120.05212	0.3
121.06461	0.4
123.04381	3.1
127.03884	1.8
128.04916	0.3
129.10141	0.3
130.06499	1.3
132.04425	0.8
134.05977	3.4
134.35733	0.2
136.07565	5.5
139.25911	0.2
144.04439	2.0
145.04967	0.3
146.05989	25.3
147.04405	3.0
147.06279	0.3
148.03894	1.6
155.63361	0.2
156.24409	0.2
162.05472	100.0
163.05820	2.7
165.05432	3.2
166.04947	2.2
174.05461	3.4
176.07024	0.9
178.08591	0.5
182.08127	2.8
190.04958	8.1
192.06525	3.0
208.06015	5.7
222.07588	0.5
224.09076	0.5
237.02911	0.2
250.06934	0.3
262.07004	0.4
270.07465	0.5
272.09131	0.4
280.08084	0.4
298.06982	0.3
316.08023	0.8
318.09634	1.1
334.09216	1.6
336.10651	2.3
352.10031	0.5
376.89093	0.3
479.14389	0.4
497.15594	0.2
533.17279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12464	0.2
50.41304	0.2
53.03874	1.3
55.01796	0.3
55.05434	0.3
56.04962	1.0
56.96486	0.3
57.03360	0.8
58.85289	0.2
58.99524	0.2
59.28872	0.2
60.04457	1.5
63.14162	0.2
65.36337	0.2
69.03021	0.2
69.03350	4.6
69.49037	0.2
70.06499	1.2
71.04904	0.4
72.08064	1.5
73.02783	0.2
74.05983	1.5
76.02109	0.5
76.20241	0.2
81.02906	0.3
81.03334	4.8
83.04904	0.2
84.04413	2.1
84.08062	5.7
85.02821	4.6
85.08385	0.3
86.09650	1.5
88.03918	0.4
91.05396	1.2
92.11003	0.2
93.06953	0.3
97.02821	5.7
98.97503	0.3
99.04399	1.8
101.05919	0.4
102.05471	0.5
105.06549	0.5
107.08521	0.4
109.02826	10.2
109.06462	0.2
110.05994	0.2
110.07090	0.2
118.06501	0.4
119.04865	1.2
124.03880	0.3
125.07008	0.3
127.03872	5.2
128.04922	1.0
129.10187	0.4
130.04999	0.2
130.06454	0.4
130.08594	0.4
132.04407	1.5
135.08014	0.2
145.04901	0.9
146.05981	100.0
147.04382	4.5
147.06323	1.4
154.05058	0.3
162.05461	3.3
166.04997	0.3
167.07028	0.8
173.13252	0.2
174.05466	15.0
175.05827	0.4
177.00604	0.3
181.06015	0.3
181.08424	0.2
190.05009	0.4
191.14290	1.2
192.04739	0.4
192.06511	12.3
193.06725	0.3
209.15338	0.5
216.09789	0.4
254.07884	0.3
282.07520	0.4
300.08578	2.2
318.09616	4.1
336.10657	7.8
337.11188	0.2
432.73480	0.2
502.94757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	0.9
56.96499	12.5
64.79829	0.5
67.05417	4.4
69.06951	1.0
74.97507	1.0
79.05396	2.4
81.06979	2.3
85.02796	0.9
86.09600	0.7
92.59019	0.6
93.06951	3.6
95.08525	2.3
102.92534	3.1
104.07146	0.7
104.10697	0.6
105.07035	0.7
107.08553	1.5
109.70040	0.6
119.08504	2.3
120.93572	0.7
121.10050	0.7
127.03908	0.8
136.93080	3.6
146.99623	1.1
154.94125	18.0
172.95195	87.7
185.66267	0.6
190.96248	100.0
195.96826	3.6
198.96925	0.7
208.97299	2.6
210.96722	7.6
212.98253	0.7
213.97845	3.0
216.97891	1.3
228.97801	38.1
230.99342	1.5
232.97031	0.7
246.98854	8.8
251.99258	0.9
281.14157	0.6
319.19263	9.9
335.18661	1.3
337.20432	39.9
338.20743	3.0
346.24527	0.7
353.19516	0.7
355.21414	3.2
358.30646	0.7
360.22061	1.4
399.15955	2.6
417.16965	3.3
455.18665	9.7
473.19650	98.9
474.19992	7.3
496.21118	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	534.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70047	2.6
69.03354	2.9
80.31785	2.3
88.03886	2.4
91.05387	3.4
97.02835	4.1
107.04955	4.9
118.06461	15.9
120.11196	3.0
121.06431	6.3
125.05928	3.1
130.06488	13.6
144.08063	2.8
146.05988	49.0
147.06381	3.0
148.05161	20.0
149.05922	14.0
157.07521	4.7
159.09125	5.6
162.05501	3.4
167.07021	6.0
177.05379	4.3
179.06947	4.5
188.07065	32.8
194.05763	24.2
203.08133	10.7
205.09683	4.0
209.08057	100.0
225.05687	10.8
312.08920	3.5
330.10007	5.6
374.30777	3.5
386.91183	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90837	0.4
54.56167	0.3
56.96480	0.3
70.06501	0.5
76.31940	0.4
77.60327	0.3
92.10319	0.7
109.06448	0.7
116.98613	0.5
119.04894	0.4
120.05692	0.4
130.06541	0.5
134.99661	0.5
137.05957	100.0
138.06276	1.6
146.05974	0.9
147.04398	2.3
158.99736	0.3
162.05513	0.9
167.07024	0.5
177.00644	0.4
179.07001	31.0
180.07274	0.5
196.09630	1.5
225.93398	0.4
232.96431	0.6
237.02786	0.7
309.08621	0.8
376.74356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11591	1.0
54.26187	1.0
55.05453	2.1
56.04971	2.9
57.03363	2.0
57.07002	5.9
61.97205	1.1
67.05424	1.4
69.06992	1.7
69.89091	1.0
71.07281	18.8
71.08544	4.8
81.06979	2.7
86.09628	100.0
92.10986	2.9
95.08520	2.5
97.14165	1.1
98.03779	1.3
104.10697	4.4
126.55793	1.1
162.95547	38.9
195.00235	4.8
205.17238	1.2
313.27496	5.4
330.91272	1.2
475.22165	77.6
534.29449	61.7
535.29657	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	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42669	0.7
55.05843	0.6
56.04972	1.1
58.06526	0.9
60.08097	15.6
63.54351	0.8
67.05428	1.5
70.89186	0.8
71.07285	8.0
75.68346	0.8
79.05396	1.3
84.77842	0.7
86.09627	62.8
90.26694	0.7
91.05363	1.2
93.06943	0.9
95.08546	1.3
98.98387	5.5
104.10676	50.5
105.06976	1.0
109.34843	0.8
124.99964	43.6
141.55487	0.8
147.04367	1.4
184.07303	100.0
185.07475	0.8
206.36252	0.8
226.44644	1.0
300.80685	1.0
375.85800	0.9
456.86835	0.8
516.30627	3.0
534.31909	17.6
538.35992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81098	0.9
60.08098	8.5
71.07280	4.2
76.55532	0.9
86.09626	53.1
91.05376	1.4
94.50821	0.7
98.98373	2.8
104.10661	4.5
119.41371	0.7
122.32342	0.7
124.99961	39.5
184.07301	100.0
534.31812	5.0
560.72339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	2.0
53.05544	1.5
55.05448	29.5
55.76326	1.3
56.82639	1.4
57.03368	7.7
57.07003	12.4
60.08109	2.0
61.02857	4.2
61.13456	1.6
65.03845	2.3
67.05076	3.4
67.05428	91.5
69.03334	2.4
69.06987	32.5
71.07287	3.3
71.08530	7.3
73.02829	2.3
79.05413	27.1
81.06976	100.0
83.08539	21.6
85.02821	7.3
85.06468	2.9
85.10100	2.9
86.09638	18.5
90.03737	1.5
91.05402	19.1
93.06972	31.2
95.08530	86.9
97.02822	2.8
97.06459	7.7
97.10089	7.6
99.08009	2.4
104.10688	38.9
105.06994	14.5
105.11027	2.1
107.08523	21.4
109.10114	44.1
111.08024	2.0
119.08521	15.4
121.10110	24.3
123.11662	19.1
124.99963	3.2
133.10100	13.4
135.11674	8.4
137.13226	7.6
144.01817	1.6
147.11671	13.9
149.13219	7.8
151.14708	2.4
161.13220	13.2
163.01566	2.0
163.14771	6.2
165.16356	4.1
170.52316	2.1
175.14769	12.2
179.17943	2.8
189.00041	2.5
189.16301	3.3
190.00320	2.0
190.96031	3.0
201.00073	2.3
202.99802	2.0
208.97162	2.4
227.01553	3.9
245.22621	41.3
263.23605	52.4
268.59769	2.1
271.85178	2.0
281.24704	2.1
337.27341	23.3
355.28354	2.5
534.34155	2.0
545.41315	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	534.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.0
55.01796	2.2
55.05451	30.6
56.96497	1.9
57.03366	9.9
57.07010	7.7
61.02855	4.4
63.02908	1.7
64.59026	1.7
67.05428	84.4
69.06989	26.6
71.04923	3.2
71.08552	3.0
76.24797	1.8
79.05406	21.9
79.67591	1.8
81.06976	100.0
81.07453	3.9
83.08546	18.3
85.02831	8.6
85.06435	1.8
86.09612	3.6
91.05410	12.8
92.64491	1.7
93.06972	26.5
95.08533	86.6
95.35502	2.0
97.02782	2.0
97.06467	9.8
97.10101	11.9
103.50741	2.0
104.10682	7.5
105.06962	16.0
107.08543	20.1
109.06474	2.2
109.10099	40.5
111.08099	2.1
111.11655	1.9
119.08553	10.8
121.10098	17.6
123.11633	10.3
133.10097	16.7
135.11681	8.9
141.12782	2.3
147.11679	12.2
149.13197	8.4
151.14737	2.7
154.94080	4.2
161.13228	10.7
163.14830	4.7
165.12793	4.4
165.16365	2.4
172.95203	35.6
175.14778	4.0
178.01630	1.8
179.17935	2.3
184.07457	2.0
189.00053	3.3
189.16318	3.4
190.00154	1.9
190.96230	44.3
208.97174	2.1
210.96767	2.2
227.01595	2.5
228.97813	16.9
245.22589	29.4
246.98761	3.1
263.23636	47.9
337.27307	34.9
339.22006	9.6
339.46124	2.0
382.09515	2.4
393.29666	2.3
457.20145	2.8
475.21249	48.4
493.21454	2.0
541.25110	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34125	0.9
53.00265	1.1
53.03888	1.6
53.10081	1.0
53.78370	1.0
55.01801	2.6
55.05446	28.0
57.03368	7.8
57.07010	6.7
60.08087	3.1
61.02855	1.3
63.13647	1.3
63.57750	1.2
66.62360	1.0
67.05423	100.0
69.03339	14.0
69.06987	29.1
71.04912	4.9
71.08549	5.2
73.02808	1.4
75.24510	1.2
79.05402	32.7
81.03333	8.3
81.06971	91.7
83.04893	6.1
83.08538	12.8
85.02818	24.4
85.10077	1.3
86.09610	17.3
86.40063	1.3
91.05408	22.7
93.06973	32.3
95.04893	5.7
95.08529	70.9
97.02814	24.7
97.06441	5.7
97.10088	7.2
99.04397	5.5
99.08022	2.4
105.06963	18.3
107.08524	19.2
109.02875	2.4
109.10098	24.4
111.04375	1.7
111.08005	1.7
117.06940	5.1
119.08549	12.9
121.06509	1.7
121.10085	19.4
123.11657	11.1
124.99950	12.2
127.03864	11.5
129.05458	2.5
129.07065	1.4
131.08577	9.0
133.10077	11.2
135.11652	10.2
137.13237	3.2
141.29268	1.4
145.04930	6.6
145.06471	2.8
145.10098	3.1
147.11667	6.1
149.13194	5.5
151.14806	1.7
153.12706	1.4
154.94119	1.8
156.97462	2.3
159.11649	1.8
161.13251	6.4
165.12648	1.7
171.93327	1.4
172.95219	9.1
173.13158	2.2
174.98517	8.4
175.14809	5.7
179.14218	1.5
184.07277	35.8
190.96246	13.6
193.15866	1.7
193.54054	1.3
195.65065	1.3
203.17813	1.4
213.00108	2.7
228.97765	6.4
231.01134	1.9
243.21013	1.9
245.22621	3.1
255.01186	1.8
261.22089	7.5
263.23581	17.8
305.24786	1.7
317.24670	2.7
319.26169	1.4
329.24606	1.7
336.86737	1.8
347.25803	7.7
353.24643	2.3
371.25528	9.3
389.26788	8.4
407.27682	6.3
425.28723	13.3
473.33063	1.5
475.21384	13.1
534.28479	5.1
534.35913	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1437
Annotation	6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
50.35880	1.5
51.03662	1.6
51.45535	1.6
54.81807	1.7
55.01817	20.8
56.96489	1.9
61.02856	7.3
65.03848	3.0
69.03359	3.7
69.32084	1.7
70.06511	14.3
71.22126	1.6
72.08059	3.4
81.03343	4.4
84.04427	2.2
84.08098	2.1
85.02824	8.7
91.05396	9.8
95.04858	3.1
97.02827	11.5
105.06951	3.1
107.04907	4.5
109.02792	2.9
110.07168	2.2
111.04356	2.2
117.03329	2.2
119.04904	25.9
121.02813	86.5
127.03873	2.5
135.04396	7.7
145.02829	23.4
146.06018	7.3
147.04341	15.4
150.05460	2.7
151.03864	11.3
157.06407	2.2
161.05948	2.5
162.05481	17.7
163.03906	3.0
163.05838	2.6
173.06039	2.0
175.03862	4.0
177.05473	12.4
187.03876	2.5
189.01790	10.7
189.05533	2.5
191.03331	7.3
195.01419	1.9
195.02859	16.0
199.03900	4.2
203.03380	32.9
205.04927	3.5
207.02815	16.1
213.05461	2.1
215.03358	13.3
217.04907	14.5
219.02887	7.4
221.04382	13.6
227.03316	2.8
229.04846	3.9
231.02863	7.7
233.04395	13.4
241.04845	3.2
243.02791	4.3
245.04401	7.6
247.80231	2.2
259.05862	2.2
261.03809	3.0
267.06442	3.5
268.07208	3.3
269.04196	2.1
271.05719	2.0
273.03903	7.3
277.08533	2.5
279.06464	7.4
280.07278	2.7
281.08054	4.3
283.05942	4.5
284.06671	3.1
290.49420	1.9
292.07294	7.0
293.08075	4.5
294.05157	22.2
295.05902	100.0
295.09186	4.1
296.06680	10.9
297.07620	13.3
305.08231	7.5
306.08820	3.5
307.05991	75.3
307.09396	5.3
308.06580	26.0
309.04007	2.9
309.07477	37.3
313.07004	2.9
317.07965	3.8
319.05984	9.0
320.06931	18.1
321.07498	82.7
322.08371	13.4
323.05380	2.0
323.08994	15.0
325.07010	57.1
326.07230	2.1
329.08078	8.6
331.05814	3.0
333.07550	51.2
334.08282	11.2
335.05414	2.8
335.08975	29.2
336.06046	3.9
337.07019	58.3
338.06876	2.2
339.08517	3.0
345.07483	24.9
347.09247	18.7
349.06964	70.6
349.10468	2.9
351.08566	35.3
355.08167	4.4
359.09036	11.0
361.07019	46.3
361.11154	3.0
362.07584	3.1
363.08551	42.3
367.08231	14.8
371.09018	3.1
373.06982	26.5
375.08527	16.9
377.10349	3.2
379.08072	71.6
387.08575	10.5
389.10080	9.7
391.08051	74.2
392.08392	2.4
393.09592	3.2
397.09009	29.5
399.08508	4.5
403.07739	16.1
405.09485	10.5
409.09052	47.0
415.07928	16.8
417.09631	12.3
421.09100	8.1
427.10107	24.3
433.09067	36.0
445.09088	26.8
451.10327	27.2
463.10330	16.3
469.11127	53.8
481.11206	87.4
482.11298	2.5
499.12238	79.8
500.12540	2.1
517.13312	38.2
535.14240	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	535.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21237	0.6
54.59489	0.8
55.36022	0.5
56.96501	28.2
57.03387	0.6
61.02854	1.0
65.18319	0.5
69.03338	4.0
70.06506	1.1
80.33980	0.6
81.03358	0.7
85.02826	11.3
94.01757	0.6
97.02821	4.4
101.49947	0.7
102.00648	0.6
103.05399	2.7
107.04869	0.9
109.02837	1.0
120.08053	55.6
121.08437	1.4
127.03885	1.3
131.04926	0.9
134.05992	1.4
146.05945	0.7
148.03888	0.7
162.05467	100.0
163.05801	1.0
166.08603	9.1
176.03850	1.2
178.05333	3.4
183.03227	1.0
186.05402	0.9
190.04945	13.0
194.04880	3.5
196.06453	7.7
197.06706	0.8
201.04355	2.7
204.06540	4.3
208.05991	26.5
222.04330	9.6
223.04785	1.6
236.58682	0.6
240.05347	18.8
241.05682	5.3
364.75629	0.7
369.11029	8.8
370.11313	15.8
387.12360	1.1
388.12723	1.4
391.51297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.7
55.01803	2.2
55.05453	14.6
57.03359	2.3
63.57243	1.9
67.05433	22.7
69.03357	15.0
69.06985	16.7
70.06499	4.4
71.04900	3.5
72.08072	3.4
76.25169	1.8
79.05399	2.9
79.21799	2.1
81.03316	3.0
81.06977	19.7
82.00146	2.0
82.68794	1.7
83.04910	18.2
83.08514	8.4
84.04383	2.4
84.08054	3.5
85.02827	21.0
85.06455	4.0
91.05352	8.2
93.06964	12.8
95.04835	2.2
95.08041	2.3
95.08538	32.8
97.02807	12.0
99.07977	3.0
105.06964	8.3
107.08513	23.8
109.02816	4.9
109.06436	9.5
109.10106	100.0
111.08022	3.2
116.98516	2.8
117.03296	4.4
119.04894	4.4
119.08558	24.6
121.10080	18.0
123.07996	13.0
123.11640	9.1
127.03870	4.6
133.10121	21.4
135.11659	75.5
137.09555	20.3
139.11127	2.7
139.51396	1.8
145.02782	11.5
146.05988	28.7
146.99554	2.8
147.04367	13.6
147.11530	2.4
149.13271	2.8
150.05472	9.7
151.03914	3.4
151.11113	4.6
151.14796	12.3
162.05455	21.7
165.16336	2.7
172.03908	2.2
175.03741	2.2
175.14743	23.7
177.05382	13.8
193.15845	37.0
207.06479	2.7
211.16901	81.3
238.03850	2.4
240.54237	1.9
248.04900	2.3
256.04803	3.1
266.03281	8.5
282.02679	12.2
283.02768	2.6
306.02573	3.3
321.18704	2.4
444.10504	2.6
535.12677	2.4
536.20990	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	535.333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81862	0.5
55.05441	0.8
61.75661	0.5
64.33806	0.6
72.08048	2.6
74.91590	0.6
76.56639	0.6
82.77354	0.5
84.08050	0.9
87.04067	0.5
87.48782	0.5
91.05396	1.1
97.02811	0.6
100.11208	1.3
116.42757	0.6
117.03289	2.4
119.04906	3.1
127.03704	0.6
137.84186	0.6
145.02789	3.0
146.05968	3.4
147.04404	6.0
148.04745	0.8
150.05457	3.0
177.05385	4.9
231.13307	0.8
246.14684	1.1
248.16011	3.8
249.14578	2.4
265.13831	1.1
266.17081	1.3
267.15546	9.6
268.13770	6.6
284.17874	0.7
285.16531	0.9
285.42105	0.7
286.15137	0.7
292.14944	0.8
293.13345	5.2
303.81482	0.6
310.15927	1.1
325.20914	1.4
331.18579	2.4
333.20212	3.8
340.18625	2.9
348.24936	0.9
358.19846	4.9
362.18640	0.6
373.24371	2.4
377.19092	0.8
391.25327	3.5
398.53226	0.8
409.26563	5.6
412.27908	0.9
421.28012	2.3
439.29156	5.2
457.30103	15.2
458.30170	0.9
475.31192	100.0
476.31409	6.5
535.33124	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	0.7
55.01818	0.5
57.03360	2.3
59.03264	0.3
61.02857	2.4
65.03880	0.9
67.04149	0.5
67.05432	0.8
69.03356	5.0
70.06506	0.4
71.04929	0.4
72.63982	0.4
73.02821	0.9
81.03358	2.9
82.06496	0.5
84.08077	0.5
85.02831	22.2
85.15891	0.4
85.99426	0.4
92.10188	0.4
95.03639	5.3
95.04900	28.0
97.02815	6.7
99.04395	0.8
106.02866	0.8
107.03643	3.3
109.02829	2.2
109.05191	0.4
110.05995	46.7
117.03325	0.5
117.26015	0.5
120.04410	0.7
121.02821	1.7
122.05189	0.7
122.05988	13.1
123.04395	10.1
127.03886	3.6
134.02316	0.9
135.03123	1.0
135.04254	0.5
136.03923	0.5
138.05478	13.2
141.05446	1.8
145.02806	1.8
145.04939	4.4
146.06018	0.9
149.04704	10.5
149.05876	0.7
150.01831	0.8
150.05489	5.9
151.02640	8.7
163.05994	0.8
165.04156	1.6
166.04965	100.0
167.05479	2.5
177.05434	3.9
178.04944	11.0
184.06023	1.6
194.04462	98.5
195.04825	1.8
195.06525	0.9
196.05997	2.8
212.05502	20.3
213.05746	0.5
224.05371	0.6
285.71982	0.5
308.36526	0.4
390.82404	0.4
407.35504	0.4
505.11038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.165
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76292	1.4
72.24506	1.3
73.04664	12.1
75.02589	1.5
79.02079	2.4
91.05721	99.0
92.64240	1.6
109.06769	2.6
114.07306	2.6
115.45253	1.6
117.54182	1.7
149.04453	2.3
167.05519	73.6
168.05731	1.9
173.14969	1.7
181.65771	1.7
193.79521	1.7
223.06345	1.7
225.04295	14.4
227.02365	2.5
229.00287	2.0
239.09427	6.3
266.99753	17.5
281.04987	2.9
281.19989	1.6
283.02942	24.6
299.06100	100.0
300.06140	6.7
324.63107	1.7
342.99493	2.1
344.97607	17.4
359.02737	7.4
415.03513	8.8
503.10742	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	536.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	0.4
57.03368	0.9
58.66549	0.2
61.02851	0.2
69.03336	0.8
71.01269	0.3
73.02824	0.7
74.01263	0.2
74.58319	0.1
75.44901	0.2
80.64162	0.1
81.03330	0.3
84.04430	0.2
85.02825	1.3
91.92526	0.2
94.03971	0.2
97.02824	0.3
99.04396	0.3
117.05469	0.2
130.08612	0.2
136.06166	100.0
137.04720	0.2
137.06493	0.9
149.21349	0.2
153.04034	1.1
166.81551	0.2
268.10355	17.9
269.10632	0.2
295.54150	0.2
307.07120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86488	0.1
53.00234	0.1
53.03893	0.5
55.01821	1.0
55.05436	0.1
56.04977	0.2
57.03371	0.9
59.54350	0.1
61.02854	0.5
63.02301	0.2
64.31297	0.1
64.33349	0.1
69.03352	4.7
70.06502	1.0
71.04911	0.6
72.08071	0.2
73.02824	0.6
78.04636	0.1
79.02129	0.1
79.05432	0.1
81.03337	3.4
84.04449	0.6
84.08060	0.2
85.02830	4.9
86.09624	0.3
87.04412	0.2
89.03831	3.6
91.05399	0.3
93.07005	0.2
95.04948	0.2
95.08541	0.2
95.29233	0.2
97.02826	4.7
97.03448	0.2
99.04377	2.2
101.02321	0.5
102.05546	0.2
107.04903	0.2
109.02824	2.7
110.07111	0.8
117.03331	15.5
119.04913	0.5
121.02826	1.9
122.03143	0.6
127.03872	3.9
134.03604	0.8
135.04387	1.4
145.02826	62.1
146.03186	0.9
147.04405	0.7
149.04773	0.3
149.05956	7.0
150.61790	0.1
151.03940	0.2
162.05511	0.2
163.03867	1.1
176.65483	0.1
177.05437	100.0
178.05754	1.4
186.05421	0.9
195.06461	1.8
224.05499	0.2
234.39622	0.1
321.09647	1.9
325.06876	0.1
339.10681	8.1
357.11734	0.7
438.20734	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	536.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	2.9
55.01802	3.5
55.05448	0.8
57.03370	7.8
57.28224	0.6
61.02854	12.4
69.03349	22.8
70.06506	6.4
71.04901	4.8
72.08062	3.2
73.02814	3.6
81.03339	8.1
83.05989	0.7
84.04425	3.3
84.08077	3.4
85.02827	98.3
87.04395	3.6
89.03848	2.7
91.03870	4.1
91.05368	1.2
93.68291	0.6
97.02823	27.8
99.04387	3.9
101.02299	0.8
103.03844	1.1
109.02850	8.2
110.07082	2.6
115.08696	0.7
117.03326	11.9
121.02838	1.2
127.03872	16.8
133.10106	1.8
135.04398	1.8
145.02829	47.7
145.04909	19.3
146.05983	4.6
147.04401	1.4
149.05946	7.6
162.05490	5.7
163.03850	3.4
163.05949	6.7
167.06934	0.8
174.05502	0.9
177.05431	100.0
178.05725	1.3
195.06477	24.8
207.06677	0.7
228.15233	0.8
337.34506	0.8
339.10730	4.1
343.11389	0.8
365.54901	0.7
398.50339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	0.9
53.12207	0.9
55.01818	1.7
55.05453	10.0
57.03362	1.7
58.73085	0.9
58.99295	1.0
58.99520	15.2
61.51047	1.0
64.33601	1.1
67.05418	6.7
67.29458	1.0
69.03345	2.2
69.06986	5.0
70.06503	6.1
72.08050	1.9
76.02140	100.0
76.03902	2.8
79.05398	8.8
81.02898	2.1
81.03334	30.9
81.06971	12.7
83.04885	12.2
83.08540	10.2
83.37743	1.1
84.03944	1.5
84.04424	31.1
84.08076	1.6
85.02827	5.8
85.03973	1.7
86.09637	1.7
86.98986	7.0
88.02143	1.8
88.50678	1.1
91.05396	13.6
92.10214	4.8
93.06964	7.7
95.04890	9.0
95.08537	1.8
97.02827	5.0
102.05466	4.3
103.03863	1.6
105.06943	8.1
107.04925	4.7
107.08505	2.2
108.22585	1.1
109.02829	1.4
110.07130	1.8
111.08012	4.9
114.37819	1.2
116.01618	23.8
117.03328	4.4
119.04887	2.1
119.08499	7.0
121.10081	2.1
123.08002	1.3
124.03831	1.4
127.03906	1.8
129.06961	4.1
130.04965	13.5
131.08553	1.9
133.06458	1.4
133.10103	4.6
137.36414	1.2
142.03175	10.7
144.01134	13.1
145.02831	7.3
146.03128	1.3
146.05968	1.6
147.04385	4.5
147.11661	2.2
150.05365	1.6
151.03918	1.5
157.10068	2.6
162.02174	36.3
162.05464	17.5
170.02626	4.6
175.11133	5.7
177.03273	2.9
177.05447	8.4
178.05836	1.5
179.04796	38.7
180.05138	1.3
187.05379	1.7
193.12247	14.3
207.06439	1.3
211.13249	17.0
213.11159	1.3
215.04866	1.5
233.05928	10.5
245.05916	2.2
254.03033	1.4
264.02353	1.3
280.86932	1.1
282.02859	1.8
284.13879	1.2
290.07910	1.3
308.09061	54.1
353.06299	1.7
408.25555	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30788	0.1
51.55354	0.1
55.05442	0.3
56.04969	0.7
58.06518	0.5
60.08094	10.9
67.05425	0.7
68.60882	0.2
71.07287	4.4
74.76882	0.2
81.06981	0.7
81.81091	0.2
86.09626	51.7
87.09958	0.8
91.05412	0.2
95.08498	0.3
98.98396	3.9
104.10674	5.9
116.99471	0.2
124.99960	36.2
143.01012	0.8
184.07303	100.0
185.07588	1.7
189.04581	0.2
416.20880	0.2
518.32465	1.4
536.26001	0.2
536.33398	4.7
537.34113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10704	0.4
50.53384	0.4
55.05446	0.7
55.66505	0.5
56.04964	1.0
57.03364	3.3
58.06535	0.7
60.08092	22.9
67.05421	1.2
67.08537	0.5
71.07291	10.0
79.05426	0.7
81.06948	0.7
84.28728	0.5
86.09624	77.6
95.08526	1.1
98.98384	5.3
104.07024	1.3
104.10674	100.0
105.11015	1.1
107.08471	0.6
117.05429	2.5
119.08492	0.5
122.08086	3.9
124.99958	45.8
143.01041	1.3
164.96187	0.5
184.07295	84.9
282.10925	0.6
488.62711	0.7
500.31320	1.9
502.38821	0.7
518.32471	0.9
536.33350	30.6
537.33844	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95046	0.2
54.61277	0.1
55.05447	0.5
56.04961	1.2
56.90242	0.2
57.03376	0.3
58.06539	0.8
60.08092	16.4
60.10389	0.2
67.05432	1.7
69.06979	0.5
71.07287	7.1
71.08529	0.2
79.05402	0.9
81.06973	1.3
86.09623	61.8
87.09949	0.4
87.69450	0.2
90.98134	0.2
91.05413	0.5
93.06971	0.5
95.08540	0.9
98.98395	5.1
101.03412	0.2
104.10676	40.0
105.06967	0.3
105.11043	0.4
107.08558	0.3
109.10059	0.2
110.71489	0.2
124.99957	41.7
143.01031	1.3
177.55293	0.2
184.07295	100.0
185.07631	1.4
217.07199	0.2
220.50699	0.2
258.11041	0.3
273.12274	0.2
333.60541	0.2
411.12469	0.2
445.11536	0.2
452.24557	0.2
518.31976	3.0
536.33282	11.7
537.33649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15383	0.1
51.39350	0.2
55.05450	0.4
56.04963	0.3
57.03391	0.2
58.06520	0.3
59.74353	0.2
60.08092	10.1
62.99858	0.2
67.05434	1.7
67.64408	0.2
69.06982	0.2
70.06500	0.2
71.04903	0.9
71.07286	4.6
71.27263	0.2
75.32421	0.2
79.05365	0.6
80.21124	0.2
81.06963	1.4
83.08522	0.2
86.09627	52.8
86.60289	0.2
87.09962	0.9
91.05358	0.2
93.06992	0.8
95.08530	1.0
98.98397	4.7
104.10683	4.6
116.99444	0.2
121.10081	0.2
124.99961	37.5
126.00292	0.4
143.01041	1.0
145.30228	0.2
170.55315	0.2
184.07303	100.0
185.07654	1.6
229.07489	0.2
247.08345	0.3
263.28119	0.2
277.21173	0.2
283.12146	0.3
289.03400	0.2
351.18579	0.2
383.20953	0.4
401.21854	0.8
439.91797	0.2
464.21756	0.2
500.31094	0.3
518.32355	5.7
519.32794	0.2
552.19171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75741	0.9
51.18082	1.0
56.04979	1.1
60.08094	16.4
67.05415	5.1
71.07279	6.1
79.05396	1.6
86.09626	66.3
93.06967	1.7
98.98406	6.2
104.10680	42.6
124.99963	39.9
152.10693	2.7
160.89642	1.2
180.10109	2.6
184.07297	100.0
299.05930	1.3
305.39413	1.3
350.05829	1.2
380.22290	1.6
473.53152	1.4
483.19998	1.4
483.27139	1.5
500.30951	2.3
518.32275	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62288	0.3
55.05454	3.0
56.04967	1.6
57.03366	0.5
57.06998	1.5
58.06528	0.9
60.08097	23.4
67.05432	4.5
69.06979	2.0
71.07291	10.0
71.08539	0.5
71.31441	0.3
72.08076	2.5
72.39449	0.3
79.05412	2.4
81.06994	3.0
83.08524	0.4
85.85074	0.3
86.09631	76.3
87.09959	0.7
91.05386	0.3
93.06961	0.9
95.08525	1.9
95.16109	0.3
98.34425	0.4
98.98403	5.5
104.10684	100.0
105.11018	0.8
109.10130	0.7
120.04465	0.4
120.08057	1.5
124.99966	43.2
143.01048	1.7
163.01529	0.4
163.30411	0.4
184.07315	93.2
185.07658	1.6
230.24744	7.4
231.25182	1.7
491.40317	0.4
518.32385	6.1
519.32697	0.4
536.33405	30.4
537.33661	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40559	1.1
56.04972	3.0
57.03354	1.4
59.24611	1.3
60.08093	24.6
60.40194	1.2
63.91585	1.4
67.05437	5.6
71.07297	13.3
73.17825	1.3
73.41642	1.3
73.50252	1.3
81.06976	2.6
86.09628	69.7
91.51949	1.5
95.08531	2.5
98.98410	7.4
104.07078	2.7
104.10679	100.0
122.08115	8.0
124.99964	43.5
143.01053	1.4
184.07303	61.2
211.02609	1.5
337.27167	1.7
432.31879	2.1
518.32593	2.0
536.33466	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	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02436	1.0
60.08090	24.0
67.05440	3.3
67.93629	1.3
71.07282	7.1
77.50787	1.4
79.05428	1.6
81.06946	2.5
86.09626	76.5
91.60496	1.4
95.08513	2.4
98.98376	2.4
104.10677	83.1
105.10981	1.9
106.56228	1.4
111.05201	1.3
124.99963	43.5
184.07295	100.0
201.85541	1.4
228.19044	1.5
233.47253	1.6
344.69025	1.5
500.31409	1.9
518.32324	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	536.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72871	0.6
55.05435	4.8
57.07000	4.8
60.08092	11.1
62.81753	0.6
63.25129	0.6
64.25244	0.6
64.32969	0.8
64.76685	0.6
66.77354	0.6
67.05419	4.0
69.03337	0.9
69.06979	5.3
69.30402	0.7
71.07295	5.1
71.08530	1.1
75.37843	0.6
81.03327	0.7
81.06966	5.9
83.08530	3.4
84.97588	0.7
85.02821	1.3
86.09626	50.8
93.06966	3.5
95.08540	6.0
97.02818	3.1
97.10074	3.4
98.98416	2.8
104.10664	4.4
107.08535	1.7
109.10104	1.4
121.10078	1.7
123.11625	0.7
124.99964	32.1
129.27754	0.8
135.11613	1.4
139.12296	0.8
143.01030	1.0
163.93925	0.7
184.07303	100.0
243.25488	0.7
265.25131	1.7
270.17859	0.9
296.46252	0.8
413.19775	0.8
427.30444	1.4
536.37115	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	536.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	10.3
57.07003	3.9
60.08099	30.0
66.59569	1.8
66.79788	2.1
67.05417	3.8
69.06979	9.7
70.54943	2.0
71.07280	9.2
71.08545	3.8
81.06969	4.4
83.08521	4.2
85.10076	2.7
86.09629	76.5
89.05915	3.5
93.06957	2.7
95.08518	8.9
97.10083	2.5
98.98388	4.3
104.10687	93.2
107.08517	2.3
121.10043	2.2
124.99972	49.5
133.84660	2.7
148.31577	2.4
184.07317	100.0
206.18620	2.3
339.28882	4.0
518.36121	3.9
535.10284	2.5
536.36981	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	536.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03036	3.5
51.16478	3.6
51.88948	4.2
52.05492	3.5
55.05452	60.6
55.77782	3.8
57.03366	10.8
57.07021	36.9
61.02859	3.9
63.79958	4.0
67.05428	80.8
69.06985	100.0
71.08542	20.6
79.05406	41.5
81.06978	85.6
83.08535	65.7
85.02824	27.5
85.10111	6.7
85.99912	4.0
89.05949	22.8
91.30073	3.4
92.64674	5.1
93.06979	42.6
95.08542	75.3
97.06474	6.7
97.10087	27.0
105.06939	4.6
107.08535	33.5
109.10113	39.7
111.08038	5.4
111.11692	6.4
121.10107	58.2
123.11644	9.6
124.05159	4.5
133.08495	6.8
135.11679	55.3
149.13200	10.7
165.16313	5.3
204.64209	4.7
237.91806	4.6
247.24214	34.6
265.25137	93.5
283.26019	6.3
339.28873	62.0
357.29974	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	537.3035
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
54.81424	0.9
63.49371	0.9
65.45620	0.8
67.05418	2.0
69.06980	1.0
81.06985	1.0
88.07542	1.1
95.08553	1.1
104.10754	1.2
107.80190	1.0
112.34936	1.0
112.99989	1.8
166.23871	0.9
264.45645	1.0
303.70578	1.2
332.66351	1.1
337.27606	1.2
381.93423	1.0
537.30273	100.0
538.30554	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	537.535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03311	0.4
52.78040	0.3
55.05432	0.5
57.06766	0.5
57.07010	7.4
61.07607	1.0
71.08528	2.3
81.06985	0.4
85.10091	1.0
95.08514	0.8
133.59108	0.4
166.49323	0.5
281.29431	20.1
281.32437	0.9
282.27844	100.0
283.28183	2.8
299.30469	11.6
461.59039	0.6
537.53497	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	538.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50225	4.8
55.77841	4.1
60.08070	7.0
67.05424	6.2
70.06506	6.8
86.09631	50.5
104.10696	39.4
124.99981	44.2
127.36775	5.1
145.02783	5.8
152.17769	5.5
184.07309	100.0
239.91808	4.9
386.13150	5.9
387.49646	5.9
520.33844	7.2
538.42810	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.35
Annotation	1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine
Peak:m/z	Relative Intensity
55.05442	0.3
56.04965	0.4
58.06537	0.4
59.62024	0.2
60.08094	9.4
67.05428	0.9
69.06979	0.4
70.06482	0.3
71.07280	3.4
81.06960	0.3
86.09624	47.2
87.09960	0.5
93.25587	0.2
95.08547	0.2
98.98387	3.4
104.10673	4.7
109.10086	0.3
117.57461	0.2
124.99959	34.2
143.01003	1.1
184.07297	100.0
185.07658	1.9
229.94562	0.3
258.92468	0.3
371.72882	0.3
388.34088	0.6
520.33502	0.9
538.35101	5.9
538.42761	1.2
539.35126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10626	0.5
55.05446	2.3
56.04976	1.0
57.07026	0.5
58.06525	1.2
58.90518	0.5
59.01330	0.5
60.08093	22.7
64.95235	0.5
67.05437	3.0
69.06989	2.8
69.96098	0.5
70.06494	0.7
71.07288	10.3
71.50648	0.5
79.05399	0.7
81.06988	3.4
83.08527	0.7
86.09624	74.4
88.03642	0.5
93.06990	0.8
95.08538	2.6
98.98403	6.1
104.10676	100.0
105.11066	1.1
109.10051	1.7
114.37836	0.5
124.99953	44.2
168.94643	0.6
175.52631	0.6
184.07300	99.6
189.06888	0.6
258.11078	0.6
325.29733	0.6
520.33771	6.8
538.34979	38.8
538.42609	2.0
539.35803	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	538.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	2.6
56.04966	0.8
57.35131	0.3
58.06530	1.6
60.08096	24.8
67.05418	3.0
69.06985	4.1
71.07289	9.1
72.86046	0.4
79.05412	1.4
81.06973	3.5
83.08546	1.4
85.06485	0.4
86.09626	78.8
87.09958	0.8
93.06989	1.5
95.08543	2.1
97.10106	0.7
98.98392	5.5
104.10678	98.9
105.11015	0.5
107.08586	0.4
109.10093	0.8
112.26616	0.3
124.99960	43.8
125.47791	0.3
134.00467	0.3
143.01030	1.7
163.01483	0.6
168.49358	0.3
183.16731	0.4
184.07301	100.0
185.07690	1.9
497.30331	0.4
520.33588	6.0
538.34943	37.9
539.35095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81137	0.5
55.05444	0.8
55.92797	0.4
57.07696	0.4
60.08095	10.1
64.32743	0.5
67.05415	0.8
69.07001	0.5
71.07284	3.6
71.26237	0.4
75.33302	0.4
81.06952	1.1
86.09631	47.6
87.09968	0.8
95.08527	0.7
98.98391	4.5
104.10686	3.9
110.04924	0.4
115.74466	0.5
123.49535	0.5
124.99969	32.0
126.00296	0.5
129.96199	0.4
143.01097	0.7
144.14500	0.4
145.02873	0.7
163.15216	0.4
177.05470	1.0
184.07310	100.0
185.07614	2.6
292.98459	0.5
425.01544	0.5
538.34967	5.7
551.10315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11563	2.5
54.08300	2.4
55.05452	34.7
57.07003	3.1
67.05423	18.1
69.03350	3.6
69.06985	4.8
70.06508	12.4
71.04916	3.3
72.08076	4.0
79.05408	14.9
81.06985	26.2
82.06499	4.3
83.04887	11.5
83.08533	32.9
84.08063	5.5
84.65063	2.7
85.06479	5.2
87.53845	3.2
89.03850	5.5
91.05407	13.4
93.06960	30.0
95.04898	3.2
95.08542	4.1
97.06470	20.1
100.07551	21.4
100.11190	58.0
105.07006	3.6
107.08550	22.2
109.10092	4.5
110.07124	4.9
111.04390	29.7
112.07571	5.5
117.03332	29.7
119.04907	13.0
121.10138	5.7
125.88341	3.1
128.07050	18.8
133.02794	3.8
137.05959	5.9
138.10867	3.0
140.07045	6.3
145.02849	52.1
146.03233	3.0
146.05991	6.0
147.04378	23.4
148.04756	3.9
148.66066	3.3
149.05975	7.1
149.13248	48.9
155.97389	3.0
167.14232	6.9
177.05424	50.6
182.15387	66.1
184.16949	41.0
209.16432	6.8
210.14828	65.7
228.16196	3.5
245.18614	3.4
266.21100	29.2
294.20688	27.4
337.21112	7.0
355.22128	6.6
393.31003	5.7
520.37158	28.2
538.38391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1698
Annotation	Agrostonidin
Peak:m/z	Relative Intensity
50.75171	1.3
54.50610	1.2
56.96507	3.0
70.06520	2.8
72.08054	1.1
101.05939	1.4
134.43987	1.3
145.02806	2.4
177.05460	1.9
197.01218	8.1
209.01222	5.1
210.01987	12.0
215.02361	2.2
221.01253	5.6
228.03064	10.7
235.01408	25.8
235.36119	1.6
235.99904	10.0
236.02148	4.9
237.00639	33.1
238.01442	10.9
239.02258	5.6
250.03835	6.3
252.01643	4.5
253.02469	45.9
254.00882	13.9
254.03302	1.8
255.01752	25.6
256.02509	7.7
265.02472	2.1
266.03159	1.8
268.04947	9.1
271.03946	1.9
286.05844	2.7
290.07050	4.4
304.08493	2.0
305.08340	1.5
306.06229	14.7
307.07239	6.0
307.52588	1.4
308.08105	2.8
319.09714	2.1
321.11264	2.8
322.09518	11.3
324.07153	3.1
324.10394	5.0
325.08209	14.6
335.09097	2.5
337.10559	1.7
386.78879	1.5
393.05188	2.9
394.03806	1.5
446.11356	19.0
464.12613	39.3
464.18707	1.9
465.12723	2.0
479.14941	7.5
482.13562	21.2
497.15829	31.5
500.14658	1.8
515.16876	49.2
516.16943	3.3
538.18359	1.4
539.16937	100.0
540.17517	3.3
541.14594	2.5
557.17902	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	539.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27599	0.7
55.05447	1.3
55.40058	0.6
56.96507	5.6
57.06989	0.7
60.08095	5.9
62.07436	0.6
67.05430	0.6
68.96150	0.7
69.06994	0.9
70.06496	1.0
71.07296	1.8
86.09627	15.8
90.25761	0.7
90.50514	0.7
98.97542	5.7
99.01860	0.8
104.10683	23.0
106.25921	0.7
112.99076	0.8
116.06969	0.8
116.98570	5.7
124.99993	9.0
131.00174	4.5
134.99628	4.6
138.52940	1.3
140.78256	0.9
149.01196	6.9
158.99635	1.4
161.01176	1.1
167.02249	2.9
177.00688	4.6
184.07315	16.7
190.96269	1.0
311.06351	1.0
319.19449	1.3
337.20468	7.4
337.24030	0.9
338.20865	1.2
339.29004	0.9
360.22556	0.9
369.86826	0.8
504.34351	1.1
507.80508	1.0
522.34967	0.9
538.81696	8.8
539.31812	100.0
539.82092	1.2
540.32135	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	539.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	0.7
62.66417	0.8
67.05425	1.5
69.06989	1.0
83.08571	1.1
87.39159	0.8
95.08517	1.1
99.58977	0.9
101.71291	0.8
112.99972	1.1
115.03612	1.0
116.99910	0.9
119.08481	1.0
143.74489	0.9
144.44536	0.9
232.95399	1.0
280.60150	0.9
488.38174	1.1
505.55008	1.2
539.31775	100.0
540.32129	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	539.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	18.9
57.03352	1.4
61.23046	1.3
65.03863	1.6
67.05421	2.0
69.03340	3.4
69.06988	2.4
70.06513	11.1
72.08071	2.8
73.58364	1.2
73.79981	1.2
74.72155	1.2
76.14637	1.2
79.05389	1.5
81.03350	10.7
83.04896	1.8
83.08555	12.2
84.04423	2.4
84.08059	6.3
85.02836	9.7
86.09681	1.8
87.49694	1.4
89.03320	1.5
89.95267	1.4
91.05399	9.0
92.10886	1.4
97.02830	5.5
98.09630	3.0
100.07542	6.8
100.11191	74.7
105.06977	12.0
106.02867	2.5
108.15607	1.8
109.00605	1.4
109.02857	5.9
111.04391	12.1
112.07528	1.8
117.19976	1.2
119.04912	5.7
119.32841	1.5
124.03931	5.5
125.05981	6.0
126.09091	1.7
128.07018	2.2
130.68956	1.3
133.06461	10.3
133.10098	1.7
135.04366	1.5
140.07111	1.6
145.02850	6.5
146.06023	9.6
147.04396	14.6
148.04689	1.5
151.03896	100.0
151.04985	6.4
161.06000	9.0
162.05429	11.5
166.15797	1.4
168.17441	32.4
169.04976	6.1
177.05484	5.6
182.15387	24.5
192.47269	1.7
193.08652	2.5
204.10104	2.4
209.16475	6.0
210.14905	24.1
228.16043	2.2
273.87827	1.6
295.08173	3.5
313.09225	5.9
361.52740	1.5
367.30081	1.6
399.29816	1.4
539.41638	92.2
540.27069	1.6
540.42242	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	540.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	1.3
55.01799	5.4
60.91933	0.8
64.21568	0.8
65.03873	5.6
67.05417	1.4
68.95823	0.7
69.03366	1.3
70.06493	4.5
75.04388	7.8
78.04616	5.8
79.05401	4.8
81.03307	0.8
83.04889	1.0
84.04395	0.9
84.08046	1.4
85.02843	8.1
89.03819	3.3
89.05938	1.0
91.05407	25.2
93.03333	21.5
93.06968	10.7
95.04903	12.8
95.69633	0.8
97.02829	0.9
97.06477	5.6
103.05413	14.8
105.04488	1.1
105.06971	1.8
106.04125	71.7
107.04977	6.8
109.06438	1.3
110.07117	0.9
111.04352	1.1
115.86436	0.8
117.03316	1.7
118.04082	1.3
119.04884	4.8
121.06464	69.4
122.07200	1.5
123.04370	1.8
123.08015	1.5
124.05153	4.2
125.05115	1.0
125.05964	20.8
131.04868	4.9
133.06482	1.1
134.03598	10.5
135.04390	1.8
135.08052	1.2
137.05960	10.8
138.06741	1.4
139.07481	6.6
142.19003	0.7
145.02811	3.6
146.06009	15.6
147.04376	4.0
148.05194	6.1
149.05963	100.0
150.06367	1.4
151.03926	1.0
151.07556	3.3
152.08344	1.8
153.05429	5.6
153.09105	21.4
159.04323	0.9
161.05916	1.2
162.05489	6.9
163.05844	1.4
163.07518	5.1
165.05486	1.3
166.06203	4.7
167.07010	8.3
174.05563	0.8
177.05447	39.0
178.04935	9.5
180.07814	1.1
181.08553	26.4
182.44936	0.9
188.03625	1.7
191.07005	4.4
206.04427	11.0
207.06479	0.9
209.08069	98.5
210.08545	1.8
223.04198	11.9
312.08932	1.3
410.82352	0.8
561.27435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	2.8
54.81544	0.6
55.01810	6.4
57.03371	0.9
57.38244	0.5
57.39580	0.6
61.02857	0.6
65.03864	6.2
67.05425	1.2
67.72118	0.5
69.03336	1.2
70.06502	3.5
71.04907	0.7
72.08076	1.2
75.04400	7.5
77.03841	0.7
78.04620	4.7
79.05402	5.5
81.03351	1.5
81.06981	1.0
84.08068	2.4
85.02828	8.0
87.04460	0.6
89.03847	3.2
89.05943	2.5
91.05403	29.9
92.10235	1.1
93.03328	21.5
93.06974	11.6
95.04903	16.6
97.02843	1.2
97.06487	5.8
98.97456	0.7
99.21488	0.6
103.05399	13.1
105.03351	1.2
105.04480	1.2
105.06941	2.9
106.04115	72.5
107.04932	5.9
108.05675	0.8
109.06445	1.3
110.03553	0.8
111.04416	2.2
115.05325	0.7
116.98597	0.6
117.03307	1.5
118.04115	1.1
119.04910	3.5
121.06457	70.4
123.04399	3.6
123.08034	2.3
124.05189	3.7
125.05951	17.8
131.04942	4.4
131.05821	0.6
133.06454	0.9
134.03618	11.2
135.04399	4.0
136.05151	0.7
137.05949	10.6
138.06738	3.4
138.53336	0.6
139.07500	7.8
145.02846	3.6
146.05946	0.9
147.04384	4.9
148.05182	5.4
149.05956	100.0
150.06433	1.1
151.03960	1.1
151.07510	4.0
152.08284	1.5
153.05443	3.3
153.09077	23.3
153.10257	1.2
161.05977	1.0
162.01392	0.8
162.03104	0.6
162.05464	22.2
163.03876	2.8
163.05867	8.6
163.07307	6.1
165.05429	1.0
166.06248	3.4
167.06979	7.7
177.03897	1.3
177.05438	39.1
180.07741	1.2
181.04958	0.7
181.08559	27.4
181.10100	1.1
183.71301	0.6
190.00676	0.7
190.04976	2.6
191.05446	0.9
191.06909	4.6
193.08591	0.9
208.02043	0.7
208.05888	0.8
209.08058	94.3
210.08560	2.7
223.04179	11.1
254.03241	0.9
273.43863	0.7
278.03534	1.1
278.06903	0.6
282.02829	1.0
306.02844	2.4
312.08868	0.8
480.11264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61805	0.4
53.03879	0.7
55.05452	0.8
56.57890	0.5
56.65133	0.4
57.03374	2.2
57.57267	0.4
60.04454	0.4
61.02841	2.4
65.03888	0.6
67.11546	0.5
67.69897	0.4
69.03363	5.5
70.06499	2.1
72.08086	0.5
73.02819	0.6
78.04616	1.1
79.05405	3.0
81.03321	3.3
81.06959	0.6
81.52132	0.5
84.04417	0.5
84.08064	1.1
85.02833	16.4
86.14665	0.4
91.03866	0.6
91.05410	9.5
93.06952	0.7
94.04127	0.6
95.04914	1.0
97.02823	5.3
99.04395	0.7
103.05415	4.7
105.06983	2.5
107.04901	7.2
109.02802	3.1
109.06488	2.1
115.05409	12.9
116.06175	2.9
117.06969	10.0
119.04852	0.8
119.08525	1.2
121.06477	1.1
122.03605	1.0
123.04379	3.1
124.03905	0.7
124.05148	2.5
127.03857	3.8
127.05427	0.6
127.48328	0.5
128.06195	5.7
129.06966	28.3
130.06471	0.6
131.04901	13.2
131.08534	31.2
132.05658	0.8
133.06471	3.2
137.05960	22.0
141.06985	12.4
143.04883	5.1
144.05692	27.1
145.02826	1.1
145.04965	2.0
145.06454	13.2
146.06000	2.1
146.07179	0.7
147.04373	3.1
147.08025	5.8
148.03922	5.0
148.04919	0.6
149.09592	2.6
151.03903	3.2
151.07512	0.6
152.04651	1.9
153.05431	0.9
155.04861	0.6
155.05983	1.9
156.05740	0.6
157.06473	21.7
158.07220	2.7
159.08029	60.0
160.05186	6.9
161.05946	3.9
162.05457	4.5
163.05956	0.5
163.07504	3.6
166.04964	10.9
167.07014	46.2
168.07410	0.5
169.06348	0.7
169.07626	4.3
172.05153	5.3
173.05948	2.2
174.06712	6.4
175.04079	0.5
175.07521	29.2
176.07932	0.9
177.05411	4.8
177.09106	5.5
180.08578	1.2
181.04881	0.9
184.06012	5.9
187.07515	57.8
188.08009	1.1
189.09068	19.1
191.07024	5.3
192.07780	7.5
193.08559	4.5
204.07800	4.6
205.08563	5.5
206.09393	0.6
207.10152	16.2
219.10133	88.0
220.10442	3.3
224.01958	0.5
237.11171	100.0
238.11455	2.6
247.07397	0.5
285.45135	0.5
303.12387	0.5
318.22708	0.5
343.15393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.6
54.81353	0.4
55.05437	2.8
58.06527	4.4
60.08094	16.8
67.04160	2.6
67.05421	1.2
68.04946	3.5
69.03338	0.6
69.05724	5.5
69.06976	3.6
70.49709	0.4
79.05388	2.7
81.06961	0.7
82.05228	2.1
83.08517	1.0
84.29542	0.6
85.02840	0.7
86.00546	0.6
86.09625	0.7
91.05403	3.6
92.10882	1.4
93.06943	2.4
95.08527	0.8
97.10079	1.2
99.01351	8.3
100.02129	3.5
105.06960	2.3
107.08508	1.2
114.02423	0.9
119.04888	0.8
119.08533	1.0
121.06435	2.6
122.20734	0.6
124.03973	0.6
125.01667	5.3
125.09521	0.6
126.02435	49.9
127.03215	51.9
131.08516	1.0
143.02699	1.9
145.02827	3.6
145.04280	7.6
146.05957	2.1
147.04364	4.4
157.06735	3.7
159.11681	0.5
162.05447	0.9
170.07390	2.5
171.02237	0.9
175.03835	0.6
177.05423	4.2
184.08972	1.2
185.09775	100.0
186.10568	5.7
207.06281	0.6
266.03186	0.7
282.02658	0.7
303.15106	0.7
306.11118	0.8
313.62961	0.5
321.16254	1.1
391.61526	0.5
419.23422	3.4
478.31143	2.4
496.31940	55.5
497.32053	2.7
540.31018	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	541.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04924	0.8
63.02804	0.4
67.05421	0.7
72.49033	0.4
81.06985	0.6
83.08517	0.4
84.08110	0.4
87.09790	0.4
91.89771	0.4
92.10320	0.9
126.65377	0.5
127.08341	0.4
139.18930	0.5
185.04250	0.5
243.35843	0.5
262.97296	0.4
541.33398	100.0
542.33759	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	542.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98006	0.3
51.67146	0.4
53.03891	0.6
55.01801	0.9
55.29509	0.4
56.46368	0.4
57.03367	2.0
61.02856	3.9
65.03854	0.5
69.03342	5.7
70.03493	0.4
71.04891	0.8
73.02831	1.6
74.59137	0.4
78.04725	0.4
81.03332	4.1
85.02824	28.6
86.94163	0.4
87.04414	0.5
91.03867	0.5
95.04890	5.9
97.02805	8.8
98.03571	0.5
99.04380	1.0
109.02839	3.4
110.07053	0.6
111.00739	0.9
111.04396	0.7
121.02817	0.6
123.04372	16.3
125.02292	3.8
126.03085	6.9
126.08736	0.5
127.03892	5.6
136.06178	0.7
140.04663	4.1
141.05435	39.2
145.04948	5.7
153.01782	3.9
154.02559	2.9
155.03316	2.0
155.06985	3.1
163.05980	1.8
168.04152	13.9
169.04921	100.0
170.05685	6.2
171.02850	6.4
183.05246	0.7
183.06483	27.8
186.05176	13.4
201.07541	62.0
202.07936	0.9
233.44701	0.5
308.84323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	3.3
55.01812	1.4
55.05452	1.1
57.03370	4.9
58.79877	0.5
61.02856	7.3
69.03343	15.3
70.06502	7.1
71.01247	0.6
71.04900	2.6
72.08067	2.9
73.02827	2.2
75.42842	0.6
81.03337	8.1
84.04428	1.1
84.08060	3.4
85.02821	60.6
87.04410	0.7
91.03880	2.4
91.05399	2.7
95.04884	7.7
97.02820	17.7
99.04388	2.9
101.35895	0.6
101.40160	0.7
105.06952	1.0
109.02821	7.4
110.07096	0.9
111.04426	0.8
115.03907	0.8
119.68608	0.7
123.04369	14.3
125.02308	2.4
126.03099	6.1
127.03871	11.0
129.10313	0.9
130.06476	3.1
133.10110	3.8
134.10431	1.4
140.04610	5.1
141.05437	30.9
142.31583	0.6
145.04939	11.8
147.04408	0.9
151.03857	0.9
152.07069	0.9
153.01799	3.1
154.02580	2.7
155.07004	3.5
162.05481	1.4
163.05983	2.3
168.04131	13.7
168.05435	0.8
169.04916	100.0
170.05669	7.3
171.02878	8.0
183.06476	25.6
186.05196	17.6
201.07538	56.4
202.07808	0.8
347.09528	1.3
530.75452	0.8
542.17511	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	542.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29518	0.1
53.79457	0.1
55.05452	1.9
56.04956	0.2
57.28832	0.2
58.06233	0.2
58.06519	4.0
59.07302	1.4
60.08094	16.0
61.78988	0.2
67.04160	2.4
67.05424	2.8
68.04948	4.2
69.05725	5.3
69.06964	0.4
71.02198	0.2
71.08553	1.7
73.08873	0.2
75.87672	0.2
76.30078	0.2
79.05395	1.9
81.06975	2.1
81.54656	0.2
82.05222	1.0
82.06475	0.2
83.04906	0.3
83.06011	0.9
83.08527	1.0
85.01002	0.2
85.06434	0.2
86.00585	1.4
91.05408	0.4
93.04436	0.3
93.06959	1.8
94.05285	0.7
95.06017	0.9
95.08500	1.1
97.10076	1.7
99.01344	6.6
99.08008	0.9
100.01550	0.3
100.02138	4.5
105.06978	0.3
107.08517	1.1
109.10168	0.2
111.05512	1.3
113.01669	0.3
113.10708	0.2
114.02441	1.1
115.01859	0.2
119.08550	0.2
120.07961	0.2
121.10111	0.2
123.44607	0.2
125.01664	6.0
125.09569	1.0
126.02438	50.8
127.03223	55.8
128.03552	0.3
129.04721	0.2
129.98444	0.2
135.11665	0.2
143.02710	2.0
145.04276	8.7
145.07582	0.7
146.05994	0.3
147.04413	0.3
153.01196	0.4
157.06657	4.1
170.07426	2.9
171.02219	0.9
184.09006	2.5
185.09776	100.0
186.10538	7.1
215.15269	0.3
230.09541	1.6
241.21986	0.2
249.14183	0.8
267.15274	0.4
303.15219	1.8
321.16266	2.0
403.24118	1.1
421.25024	3.3
439.26282	0.3
465.23993	0.4
480.32397	3.1
483.25110	0.3
498.33475	56.2
499.33804	4.2
542.32385	6.3
543.32727	0.3
547.53558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00421	0.5
55.05428	1.2
57.03363	0.6
58.06530	3.6
59.07305	1.3
60.08092	26.7
67.04156	1.1
67.05413	6.0
68.04948	4.6
69.03356	0.9
69.05720	7.2
69.06989	0.7
70.06511	0.7
79.05388	3.8
81.03299	1.0
81.06964	4.4
82.05233	1.2
83.04894	1.1
86.00555	1.5
91.05402	2.7
93.06953	4.3
95.08509	0.8
95.23622	0.6
97.02833	0.6
99.01344	5.6
99.74406	0.6
100.02128	6.0
105.06872	0.7
107.08547	2.5
109.10088	3.7
110.07166	0.6
111.05506	0.8
114.02419	0.8
119.04854	0.9
119.08540	0.9
121.10069	1.0
125.01614	5.3
126.02436	56.1
127.03217	91.2
133.10080	2.7
135.11615	3.5
137.09471	0.8
143.02718	1.3
145.02892	1.1
145.04291	4.9
146.05956	1.2
147.04367	1.4
149.13191	0.6
157.06601	4.8
162.05437	0.7
170.07414	2.7
171.02194	1.2
173.11682	3.1
177.05389	0.8
177.12721	2.9
185.09776	100.0
186.10573	30.2
230.09575	3.4
234.40695	0.8
299.14084	0.8
364.60880	0.7
368.10242	0.7
498.33481	74.9
499.33643	5.7
526.70233	0.7
535.83582	0.9
542.32153	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	542.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	1.6
53.76085	1.0
54.81730	1.2
55.05436	7.7
56.65935	1.1
57.06746	2.2
57.07014	62.5
58.86947	1.3
59.06038	6.7
60.05582	25.0
67.05420	1.9
69.06953	1.8
70.51947	1.2
70.78325	1.7
71.08195	1.6
71.08548	29.9
72.97981	1.2
73.06505	9.7
73.06805	1.1
79.05418	2.3
81.06962	2.0
82.71025	1.4
83.08530	3.4
84.83916	1.4
85.10107	22.7
85.66937	1.2
87.04380	9.6
89.05956	100.0
93.06982	1.6
95.04848	1.5
95.08539	2.3
99.11653	2.1
107.07023	9.7
117.09047	2.5
124.77014	1.3
126.32082	1.5
130.08577	2.1
133.08585	37.9
147.11641	1.8
155.17827	2.1
161.11797	1.3
165.12737	3.3
177.11147	17.7
199.57698	1.5
243.23108	6.9
267.43799	1.5
277.21588	2.0
283.17499	1.9
287.25748	5.5
295.22592	6.5
311.14822	1.5
371.22580	5.9
525.40045	17.5
542.42969	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	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
74.17151	0.6
87.08016	0.6
87.79663	0.6
88.68690	0.8
94.45798	0.7
180.08707	0.8
227.52687	0.7
240.74196	0.7
327.21136	0.7
381.07910	10.6
425.97433	0.8
543.13129	100.0
544.13306	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	2.6
56.56333	0.4
59.04111	0.4
62.44085	0.4
63.02302	0.7
67.01784	2.5
68.99703	2.1
71.04906	0.8
71.35603	0.4
79.05406	2.2
81.03329	16.1
81.49666	0.4
89.03836	11.4
95.04885	0.7
96.15915	0.5
99.04378	13.3
104.07091	0.5
107.04897	4.6
109.02821	17.6
109.03535	0.9
111.04389	0.6
117.03322	21.1
127.03867	14.1
134.03561	0.4
135.04376	32.8
145.02818	35.0
149.05946	2.1
163.03860	100.0
164.04230	1.1
169.04922	54.5
177.05418	13.5
224.01738	0.5
236.04807	0.5
259.09488	0.7
271.05905	1.0
289.07013	0.9
331.08063	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24356	0.7
53.03888	1.3
55.05432	1.1
61.16859	0.7
62.15165	0.8
67.01795	1.2
68.99679	0.8
70.88992	0.9
81.03340	10.6
81.06949	1.0
89.03849	13.6
91.05431	1.0
94.14802	1.0
95.04901	1.3
99.04346	7.6
100.11158	2.0
109.02831	10.6
117.03328	36.2
127.03873	6.4
134.03561	2.1
135.04381	14.3
140.27370	0.9
145.02823	89.8
146.03152	1.8
149.05934	11.8
163.03860	33.0
169.04930	27.5
174.30661	1.0
177.05434	100.0
178.05785	3.9
185.24864	0.9
193.73148	0.9
210.14828	1.4
303.08548	4.1
345.09500	1.7
356.55344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89581	0.2
53.03880	0.3
69.03342	1.1
70.06494	0.2
81.03339	2.7
85.02813	1.1
90.28486	0.2
93.99428	0.2
97.02834	2.7
99.04402	0.2
104.85413	0.2
109.02148	0.4
109.02835	5.5
116.85839	0.2
118.06479	0.8
127.03875	1.3
128.04915	2.4
132.04431	2.3
134.05963	0.9
141.33401	0.2
146.05992	100.0
147.04424	0.2
147.06329	2.9
162.05473	27.5
163.05849	0.8
174.05473	9.7
175.05818	0.4
190.04947	3.2
192.06526	7.8
192.08182	0.4
208.06007	3.0
246.07681	0.5
254.08115	0.2
264.08582	0.4
300.08652	1.2
318.09793	1.9
336.10699	1.3
383.07736	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.3
56.04976	0.2
68.83778	0.1
69.03340	1.0
70.06530	1.1
71.04884	0.1
72.08061	0.7
81.03338	2.5
84.04428	1.3
84.08059	0.7
85.02813	0.7
86.09580	0.1
91.05390	0.2
95.15623	0.1
96.60925	0.1
97.02827	1.1
99.04385	0.4
101.07067	0.3
103.05392	0.3
109.02823	4.4
110.07125	0.6
112.08689	0.2
118.06477	1.0
119.04902	0.1
120.08044	2.3
127.03835	1.5
128.04901	2.2
128.41884	0.1
130.06493	0.6
132.04381	2.3
134.05975	0.2
141.06508	0.2
145.02789	0.3
146.05981	100.0
147.06323	2.9
153.86035	0.1
162.05464	13.5
163.05768	0.3
174.05464	10.5
175.05833	0.3
177.05420	0.3
186.05280	0.1
189.59445	0.1
190.04976	0.9
192.06512	6.9
204.06483	0.3
208.06009	2.2
233.41928	0.1
246.07588	0.8
254.07933	0.3
264.08655	0.2
287.94586	0.1
293.53986	0.2
300.08493	1.1
318.09583	2.0
319.09949	0.2
336.10541	1.0
455.34625	0.2
488.20767	0.2
544.42389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08045	0.2
73.95621	0.2
74.02309	0.3
76.56067	0.3
82.81662	0.2
84.66985	0.3
91.05421	0.4
94.13496	0.4
98.28539	0.3
115.05459	0.6
117.05702	0.5
117.06965	1.7
118.06490	20.9
130.06512	2.1
132.08057	6.4
138.23842	0.3
142.06520	2.0
143.07281	2.8
144.04456	0.4
144.08069	18.1
144.48634	0.3
146.05988	86.0
147.06343	1.3
159.09151	8.5
160.07562	1.1
162.10762	0.3
167.97469	0.3
170.05971	5.4
172.29007	0.3
188.07030	100.0
189.07286	2.4
205.09682	26.3
225.95044	0.3
388.59814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07655	0.1
61.02850	0.2
63.02287	0.3
69.03342	0.3
70.06512	0.6
72.08070	6.0
78.04639	0.2
81.03326	0.2
81.96461	0.2
85.02837	1.6
89.03832	2.8
89.10720	3.6
91.05410	0.2
95.04894	0.3
97.02808	0.4
98.03204	0.2
98.05969	0.7
109.02854	0.2
115.08645	1.0
117.03326	10.6
123.04377	0.9
126.03092	0.3
127.03822	0.2
134.03587	0.6
135.04387	0.7
140.00694	0.2
141.05458	2.1
142.05785	0.8
144.08047	0.3
145.02823	56.4
146.03157	1.2
147.04391	0.2
149.05965	4.5
153.01723	0.2
155.07063	0.2
162.03156	0.2
162.05476	0.2
163.03860	0.6
168.04155	0.6
169.04930	6.3
170.05263	2.9
171.02888	0.3
177.05435	100.0
178.05756	2.6
183.06529	1.2
184.06732	0.7
186.05278	1.5
191.90579	0.2
201.07527	3.2
202.07918	1.5
225.50360	0.2
247.73508	0.2
248.12749	5.1
255.58139	0.2
265.15405	33.5
266.15741	1.1
271.13498	0.2
279.17014	0.3
464.56851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65476	2.3
55.01807	5.0
55.05458	30.6
55.66159	2.3
57.03371	4.0
67.05434	26.0
69.06981	5.3
71.40189	3.0
77.68629	2.7
79.05401	16.7
81.06969	24.6
82.06522	3.0
83.08541	11.8
89.06007	2.7
91.05391	5.4
93.06960	12.0
94.06476	3.6
95.07296	3.3
95.08543	15.9
97.10116	33.9
104.56973	2.6
107.08575	5.0
108.49416	2.5
112.60770	2.5
119.08517	3.6
121.10055	2.8
125.09555	23.8
137.46094	3.4
143.96886	3.3
177.85213	2.9
189.11182	13.5
202.84935	3.0
210.45430	2.9
227.12595	23.4
245.13821	6.8
262.25238	13.6
312.96213	3.2
337.27298	5.2
391.63596	3.2
430.43030	3.1
507.36542	18.8
508.36697	15.2
543.28564	100.0
544.29291	11.1
563.29785	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	543.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09039	0.5
52.58638	0.6
59.91723	0.8
61.32549	0.6
64.33416	0.6
69.03350	1.1
70.06522	1.2
80.11935	0.6
84.08054	0.9
85.02817	3.3
86.09620	0.9
92.10867	1.6
97.02823	0.9
99.04324	0.9
110.56433	0.9
129.32214	0.7
130.06491	8.4
131.06851	1.5
145.02811	1.1
146.05968	1.2
162.05438	10.6
163.05856	1.0
165.82939	0.8
167.10616	0.8
177.05496	1.1
185.08173	0.7
188.07103	0.8
208.05975	0.9
238.03734	0.9
249.15683	100.0
250.15990	3.3
282.02802	4.8
317.11996	5.9
339.11044	3.2
354.79712	1.1
412.08405	1.4
483.15506	1.5
542.14484	0.8
569.62915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13016	0.4
51.62768	0.3
59.06059	100.0
60.05583	10.5
69.76686	0.6
77.88250	0.4
94.91955	0.4
104.59186	0.5
113.55656	0.4
151.91228	0.5
183.92682	0.5
205.81009	0.5
232.64427	0.5
236.94257	0.4
383.93753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1655
Annotation	CHEBI:85153
Peak:m/z	Relative Intensity
54.99643	0.7
55.05458	1.6
55.05730	0.8
58.06527	4.4
59.07316	1.1
60.07886	0.7
60.08100	13.2
60.10678	0.8
61.08396	1.0
67.05415	1.0
68.04945	1.4
69.05724	4.0
70.06499	1.1
77.06776	0.9
81.06988	1.2
81.25634	0.8
83.60364	0.9
89.03841	15.5
91.05415	1.3
93.06959	1.3
99.01283	1.2
101.00927	2.2
102.01747	1.0
102.77464	0.8
107.08574	0.9
117.03334	46.9
119.04845	1.2
124.05150	1.1
126.02483	13.1
127.01247	1.1
127.03284	15.4
128.02045	18.1
128.03516	4.7
129.02823	16.2
130.06470	1.5
134.03618	4.0
135.04379	2.0
145.02831	100.0
146.03130	1.5
147.03810	1.2
149.05962	18.2
157.06645	1.2
162.05449	5.0
166.62550	1.0
177.05438	97.4
178.05798	2.2
185.09779	24.3
186.05457	1.2
186.10124	13.2
187.09326	34.7
187.10785	1.5
188.09827	4.9
394.67584	1.0
415.97156	1.1
482.32297	1.1
498.33597	1.1
500.33786	32.2
501.33832	11.6
527.15558	2.0
544.32697	1.5
549.94049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37410	6.0
55.01816	14.1
55.05450	62.1
56.96492	5.4
57.06998	6.4
67.05427	100.0
69.03365	5.8
69.06972	81.1
70.33452	5.8
71.08543	8.3
79.05408	61.2
81.03320	25.9
81.06971	86.9
83.04909	8.8
83.08547	15.9
84.04426	83.2
86.08611	5.6
86.15205	5.5
88.03915	9.1
91.05413	42.7
92.10842	9.9
93.06979	63.8
95.04897	30.0
95.08542	91.4
97.02871	7.3
97.06458	13.2
97.10107	7.4
105.06966	27.7
107.08529	40.0
109.06472	13.6
109.10104	39.7
111.04426	5.6
111.11561	7.0
117.02184	5.9
117.03365	6.1
119.08511	43.5
121.10117	44.9
123.08039	13.4
123.11633	8.5
131.08592	8.2
133.10106	14.5
135.11635	13.7
137.09607	46.3
139.11102	8.9
140.33525	5.9
145.02834	8.6
147.11618	9.5
149.13286	7.7
151.11156	12.2
161.13165	13.5
163.14764	7.2
165.12715	8.1
171.11607	7.2
175.14748	8.5
177.05496	10.2
231.21088	9.1
249.22072	8.7
259.20438	11.3
277.21533	92.3
295.22531	77.2
320.30197	6.5
359.89087	7.5
392.06021	6.3
398.23563	50.6
416.24530	51.4
545.28589	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	545.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	1.1
76.15316	0.6
81.06966	0.9
114.75838	0.7
132.58847	0.6
211.05586	0.8
229.43634	0.7
236.04460	0.7
332.80896	0.7
545.40143	100.0
546.40607	6.4
572.71967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	0.3
57.03352	0.4
69.03345	1.1
78.04613	0.3
81.03344	3.6
85.02826	1.1
89.03836	9.7
91.05386	0.9
93.07030	0.2
95.04891	0.3
97.02819	0.4
99.04388	0.3
99.07697	0.3
100.92294	0.3
103.05378	0.3
105.03400	0.2
106.04110	0.3
109.02825	1.4
112.28448	0.3
117.03324	36.5
118.03645	0.4
119.04887	0.3
120.90659	0.3
124.05197	0.3
134.03593	2.6
134.06001	0.4
135.04391	3.4
141.48991	0.2
145.02818	88.1
146.03131	2.0
147.04419	0.4
149.05957	13.5
150.06274	0.4
162.05463	13.1
163.03868	1.4
163.05882	0.3
177.05426	100.0
178.05788	3.0
186.05421	1.1
190.04930	1.2
193.70168	0.3
195.64583	0.2
208.05910	1.6
237.02676	0.3
321.09766	2.6
339.10556	1.9
377.91605	0.3
494.34406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01533	0.1
53.00242	0.1
53.03893	0.2
57.03365	0.2
63.02311	0.6
69.03033	0.1
69.03351	1.0
70.06496	0.2
71.04906	0.1
77.03816	0.1
78.04618	0.2
81.03336	3.5
85.02822	1.1
89.03838	9.6
91.05396	0.8
95.04922	0.2
97.02805	0.2
99.04375	0.3
103.05405	0.7
106.04115	0.3
107.04897	0.1
109.02838	1.1
117.03329	36.3
118.03657	0.5
119.04874	0.6
121.06467	0.2
124.03892	0.2
124.05157	0.6
127.03871	0.2
134.03584	2.5
134.05884	0.1
135.04384	3.4
145.02823	86.8
145.66743	0.2
146.03154	1.7
146.06032	0.8
147.04382	0.7
149.05956	13.5
158.05988	0.2
162.05467	12.1
163.03908	1.2
163.05734	0.2
174.05356	0.1
177.05435	100.0
178.05791	2.7
186.05441	1.5
190.04964	1.0
195.06371	0.2
199.13602	0.1
208.06020	1.7
208.09612	0.2
277.97095	0.1
321.09634	2.0
339.10730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.4
55.01812	1.1
55.05454	1.8
57.03376	2.7
59.92536	0.2
61.02857	4.4
61.71159	0.2
69.03353	7.2
69.06991	0.5
70.06512	0.2
71.04910	1.1
73.02831	2.5
73.06470	10.3
74.02346	1.0
79.48781	0.2
81.03339	2.5
83.01298	0.2
84.04443	0.3
84.08073	0.2
85.02831	56.0
86.03169	0.2
86.09629	100.0
87.04383	1.4
87.05506	0.9
87.09949	1.7
88.03915	0.3
91.03888	2.4
92.10260	0.4
97.02825	14.0
99.04381	2.8
101.02270	0.3
102.05431	0.2
103.03858	0.4
109.02846	4.3
114.37029	0.2
115.03880	0.5
127.03875	13.8
132.10175	28.5
133.06059	1.4
133.10513	0.5
145.04944	19.2
146.05299	0.3
152.05577	0.6
163.05991	7.7
177.00684	0.3
191.03903	0.3
199.09741	0.3
217.10724	1.2
219.01898	0.3
243.87483	0.3
253.12776	9.8
253.15332	0.4
254.13268	0.3
259.93954	0.2
325.11270	1.1
478.10635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66908	0.8
55.81580	0.8
69.32574	0.9
70.06506	2.2
72.08070	1.2
84.08058	1.1
85.02847	4.3
85.98466	0.8
87.04398	2.3
92.10239	1.9
92.56071	0.9
97.02820	2.0
110.07133	1.7
117.03311	1.3
121.02828	1.5
121.17122	1.0
127.03890	1.7
129.01717	0.9
145.02875	9.8
146.03113	1.1
146.05984	1.5
162.05469	6.2
177.05432	16.2
185.04196	3.9
207.02669	2.4
221.04150	45.9
222.04881	7.6
223.05780	2.0
234.97821	1.3
248.12660	1.3
250.71581	1.0
265.15479	5.8
347.09650	1.0
353.08371	1.5
369.11618	1.2
385.10907	19.7
509.04175	1.3
547.16229	100.0
548.16656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88956	0.3
56.12082	0.3
64.20061	0.3
65.03857	2.5
65.25497	0.4
68.62610	0.3
70.16326	0.3
73.91821	0.3
79.05404	2.9
81.06994	0.4
83.28817	0.3
91.04824	0.8
91.05396	23.8
95.04894	1.6
107.04891	5.6
107.37003	0.3
109.06458	0.3
110.62620	0.3
115.05445	0.4
119.04889	51.9
120.05225	1.5
124.05148	0.5
125.05907	0.3
141.06987	1.4
147.04381	100.0
148.03650	0.4
148.04677	2.8
152.04663	0.7
157.06447	2.4
158.07187	1.3
167.06990	4.7
170.07220	3.8
186.06720	2.0
187.07430	0.8
191.08430	0.5
198.06578	0.4
200.08247	0.6
201.09090	2.2
202.07765	0.7
203.08496	0.6
207.08031	0.6
214.06126	0.4
216.07764	0.6
218.07227	1.2
219.08051	2.7
220.08723	1.8
221.09587	0.6
222.06827	0.4
229.08517	3.0
230.07230	0.6
231.08339	2.7
231.09924	3.0
232.08838	0.5
233.05827	0.7
233.09613	1.4
236.74625	0.4
237.08994	0.7
244.08812	0.5
245.09531	0.7
247.07434	4.3
248.08159	4.0
249.09023	0.7
259.07550	0.7
261.09033	1.4
262.09775	1.7
263.10657	2.5
264.07751	0.7
265.08612	2.5
275.07123	2.7
276.07751	3.1
277.08542	2.6
278.09082	0.5
279.06470	0.7
280.10602	0.5
290.06073	0.4
290.09265	2.1
291.10049	3.4
292.07227	1.9
292.10513	0.4
293.08051	3.7
294.08765	0.5
304.07285	0.6
305.07980	0.7
307.06210	0.7
307.09546	2.9
308.10190	2.6
309.10858	0.5
310.08102	0.6
318.08685	0.6
319.09418	2.1
320.06848	0.5
320.10205	0.4
321.07465	1.8
322.08218	0.5
322.11935	0.6
323.12668	2.6
325.10596	1.5
335.09018	0.6
336.09869	2.8
337.10535	2.9
338.07721	0.8
340.13202	0.4
351.12225	5.0
352.12915	0.4
353.10165	3.5
368.12344	3.5
383.14777	28.7
384.15158	1.7
455.00403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54438	0.4
63.32815	0.5
65.03855	1.9
66.28029	0.5
69.06955	0.5
72.50452	0.4
79.05395	2.8
91.05399	24.7
95.04887	0.9
107.04888	6.8
111.77023	0.4
117.03326	0.6
119.04887	50.8
119.23296	0.5
120.05212	0.9
124.05186	0.6
125.05969	0.8
125.06938	0.4
129.06915	0.5
141.06940	1.9
147.04381	100.0
148.04718	2.7
152.04660	0.5
157.06487	2.4
158.07231	0.9
167.06978	5.0
169.06450	0.7
170.07199	4.2
177.05438	0.9
186.06737	3.2
187.07439	1.8
201.09033	2.2
202.07703	0.8
205.06483	0.8
216.07771	1.2
218.07231	0.6
219.08025	2.9
220.08742	1.0
229.08453	3.9
231.07965	2.2
231.10135	4.9
232.08795	0.8
233.09596	2.4
235.07533	0.6
236.08318	0.5
237.09050	0.9
245.09535	0.6
246.06761	0.5
247.07446	3.9
248.08142	4.7
249.05432	0.6
249.09056	0.9
250.06200	0.8
259.07434	2.2
260.08276	0.9
261.09195	1.1
262.09839	2.1
263.10638	2.3
264.07727	1.0
265.08524	1.9
275.07010	2.7
276.07632	3.9
277.08499	2.3
278.05740	0.7
279.10153	0.8
281.23029	0.5
289.08707	0.7
290.09409	2.4
291.10080	4.8
292.07269	3.1
292.10541	0.5
293.08096	4.7
297.10751	0.5
302.95691	0.5
305.07956	1.2
305.11441	0.7
307.06155	0.6
307.09491	2.9
308.10349	2.4
309.11060	0.6
319.09558	3.0
320.10028	0.8
321.07483	2.1
322.08475	0.7
323.12808	2.1
325.10754	0.7
326.11172	0.5
335.09039	0.6
336.09854	2.1
337.10587	3.3
351.12070	4.3
353.10031	5.3
368.12512	4.5
383.14774	34.6
384.15262	2.4
511.07736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49443	0.7
55.88081	0.8
56.96487	0.9
63.56589	0.8
65.03857	1.9
65.96367	1.0
73.35338	0.9
79.05418	3.7
81.93576	0.8
84.04429	0.9
85.65956	0.8
86.34569	0.9
91.05405	33.3
95.04890	1.3
107.04903	10.9
115.05370	1.2
117.03310	1.6
119.04892	59.6
124.05188	1.3
136.58177	1.0
141.06950	1.7
141.25389	0.9
145.02858	2.2
147.04390	100.0
148.04782	3.2
157.06474	1.6
162.05452	0.9
167.07002	5.3
170.07243	2.3
177.05432	3.6
186.06682	4.9
201.09018	1.3
219.08003	2.3
220.08894	1.5
229.08580	2.1
231.08063	1.7
231.10191	3.8
234.06873	1.2
236.62041	1.0
247.07501	4.5
248.08260	5.1
249.09026	1.1
261.48816	1.1
262.09860	1.6
263.10526	1.7
275.07001	1.7
276.07806	1.7
277.08401	1.7
290.09396	2.3
291.10092	4.5
292.07266	2.1
293.08026	3.8
305.07675	1.2
307.09729	4.2
308.10495	3.7
319.09650	1.2
320.10001	1.4
321.07407	2.1
322.11960	1.2
337.10776	2.2
351.12259	1.6
353.09985	2.0
368.12442	2.3
383.14810	27.9
384.15326	1.1
526.24640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08009	0.2
53.00256	0.3
53.03889	0.4
53.07585	0.2
57.03366	0.3
59.93850	0.3
65.03871	0.6
69.03345	1.7
70.06509	1.4
71.04944	0.2
72.08071	4.6
78.04623	0.4
81.03345	3.0
84.08070	0.4
85.02826	1.2
86.09623	0.3
89.03841	7.4
89.10703	1.9
91.05405	1.1
95.04895	1.9
97.02831	3.8
98.05953	0.4
99.04398	0.5
105.07004	0.4
109.02824	1.4
111.04391	0.6
115.08633	0.5
117.03334	27.5
118.03669	0.4
119.04893	0.6
121.02824	34.1
122.03123	0.9
124.05161	0.3
127.03858	1.1
134.03598	1.6
135.04425	2.2
136.66553	0.2
139.03894	3.5
140.73822	0.2
145.02831	88.6
146.03160	1.3
147.04376	2.3
149.05960	11.2
151.03897	0.3
151.38760	0.3
162.05479	1.7
163.03848	1.2
177.05440	100.0
178.05774	2.5
186.05446	1.2
207.06529	0.3
248.12773	3.8
263.71136	0.3
265.07123	2.9
265.15421	22.3
266.15759	0.4
282.02716	0.4
283.08075	2.8
335.15958	0.3
335.25369	0.3
344.17679	0.3
427.20148	0.3
493.19461	0.4
547.22668	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70730	0.4
56.96503	13.6
67.72633	0.5
71.95180	1.0
73.26884	0.5
73.40656	0.6
74.97528	0.5
81.06998	0.6
91.91807	0.6
102.92563	2.3
111.51414	0.5
134.99664	0.5
136.93108	2.0
138.94620	0.7
146.99596	0.9
150.94658	0.8
154.94119	8.2
159.28497	0.5
168.95686	8.1
172.95193	27.1
186.96756	77.9
190.96266	26.4
190.98021	0.8
204.97826	100.0
209.98370	3.5
210.96805	2.2
212.98250	1.0
222.98927	2.6
224.98286	3.8
226.99928	2.7
227.99402	3.4
228.97810	11.5
230.99373	0.9
242.99367	13.1
245.00941	3.3
246.98871	2.5
251.99207	0.5
261.00491	2.3
319.19336	13.3
335.18811	2.5
337.20425	45.7
338.20688	1.0
351.97943	0.5
355.21329	2.9
360.22144	2.6
375.22470	0.8
399.16245	0.6
405.18771	0.5
413.17285	1.1
427.18994	2.3
431.18652	1.3
455.18817	3.4
469.20135	6.4
473.19681	37.0
474.20175	1.2
487.21252	54.9
488.21393	2.2
496.21091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96506	13.7
57.03376	0.5
67.05424	1.2
69.07000	1.2
71.95173	1.4
81.06969	0.8
92.63986	0.6
92.98650	0.7
95.08532	1.0
102.92548	1.6
118.92078	0.9
136.93034	4.8
146.99625	2.9
149.01181	0.9
153.31805	0.7
154.94138	24.2
154.95341	1.2
161.01242	0.8
167.02266	0.9
172.95203	100.0
189.04456	1.0
190.96252	95.5
195.96837	3.0
199.00015	0.7
203.05963	0.7
204.97728	0.8
208.97369	3.0
210.96625	7.2
213.97835	3.4
228.97813	31.7
246.98865	20.8
319.19351	15.6
335.18857	1.1
335.87076	0.7
337.20441	52.4
337.27139	1.5
338.20914	2.9
355.21457	4.0
360.22003	3.4
399.16080	2.8
417.17123	2.6
455.18411	7.5
473.19690	64.5
474.20096	1.1
491.20810	8.4
496.21109	2.9
546.85211	0.8
547.23407	36.3
548.23761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96493	15.1
57.56433	0.9
60.22469	1.0
67.05421	2.8
72.68394	1.3
81.06983	2.1
93.28159	1.1
102.92529	1.3
113.63731	1.1
154.94098	6.9
168.95700	7.7
172.95181	31.1
186.96745	81.0
190.96248	25.8
204.97812	100.0
209.98343	6.1
210.96799	2.4
222.98766	2.1
224.98323	2.8
227.99332	3.9
228.97783	13.4
230.99251	1.3
242.99358	14.9
245.01103	1.8
246.98840	2.0
261.00357	1.8
263.23514	1.5
319.19302	13.1
335.18939	1.8
337.20367	46.0
355.21542	2.2
360.22089	2.4
431.18539	2.5
455.18857	4.6
469.20020	5.1
473.19580	39.2
474.19925	2.6
487.21201	56.8
488.21335	2.1
544.96948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81700	0.8
55.92684	0.7
56.81643	0.8
58.56715	0.8
63.02300	0.8
65.03844	1.7
69.03342	1.9
76.02151	0.9
76.56151	0.8
78.11023	0.8
80.70199	0.7
81.03307	1.5
81.06949	1.0
84.08009	0.8
84.44386	0.9
85.02806	1.3
86.09647	0.8
91.04824	1.2
91.05398	26.2
95.62785	0.7
97.02776	0.9
103.05373	1.0
114.37693	0.8
117.03332	1.3
119.04887	48.2
120.05186	1.1
127.03856	0.8
145.02817	5.8
146.06012	11.5
147.03214	1.5
147.04385	47.0
147.06293	4.3
157.03844	2.9
162.05447	4.0
164.04620	1.1
175.03862	69.8
176.04121	1.3
177.05409	5.1
178.05765	1.6
179.07042	3.6
192.04134	1.2
207.06479	100.0
208.06818	1.4
225.07948	1.1
286.04630	3.2
301.06931	5.1
369.11636	2.0
475.20444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08487	0.3
53.03880	0.9
63.07413	0.3
65.03846	0.5
66.17125	0.4
69.03350	3.2
81.03330	6.8
85.02822	2.4
89.03826	0.9
90.99960	0.4
91.05408	27.2
96.95597	0.3
97.02834	0.6
99.04390	0.6
103.05367	0.7
107.04939	0.6
109.02823	1.9
117.03369	0.7
119.04901	55.8
120.05202	0.9
122.03637	0.4
123.32883	0.4
124.03908	1.7
125.68467	0.4
127.08844	0.4
129.03308	0.6
130.06500	1.8
131.04909	0.6
132.02022	1.8
135.04384	0.7
145.02829	2.8
146.05983	3.6
147.04393	48.4
149.02312	0.7
149.05927	0.6
150.84776	0.4
156.79169	0.4
157.03967	3.9
162.05475	2.9
163.03708	0.5
164.04689	1.6
175.03877	78.1
176.04286	1.9
177.05429	2.8
178.05850	0.6
179.07051	4.1
191.03178	0.4
192.04167	0.7
192.92654	0.4
205.97253	0.5
207.06505	100.0
208.06778	3.0
225.07576	0.6
282.02499	0.8
351.10831	3.5
369.11694	8.7
432.65131	0.5
443.42197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.2
55.01806	0.1
55.05452	1.7
57.03363	0.3
57.55434	0.1
59.75138	0.1
60.28103	0.1
61.02831	0.2
62.58059	0.1
65.03849	0.2
67.05421	0.6
69.03350	5.3
71.04900	0.2
71.12604	0.1
77.03819	0.1
79.05408	1.1
81.03326	0.9
83.04901	4.6
84.38354	0.1
85.02827	2.8
87.04396	0.2
91.05406	7.3
91.90195	0.1
92.10972	0.1
93.06942	0.3
95.04897	0.2
99.04394	0.6
101.02285	0.2
103.05396	0.7
104.06178	0.6
105.06989	1.5
107.07864	0.2
107.08540	4.5
109.06465	0.2
111.04398	1.8
113.05954	0.2
115.05408	0.3
117.06976	2.2
119.08539	100.0
120.08879	2.4
123.08016	0.9
126.54205	0.1
129.05431	0.8
133.06464	10.8
133.07489	0.6
133.10078	0.2
134.06781	0.1
135.08018	2.5
142.07774	0.2
143.08553	0.2
144.09180	0.1
145.10097	0.6
157.10127	0.2
177.31580	0.1
199.11133	0.2
235.14798	0.6
238.19005	0.1
243.10175	0.5
243.42401	0.1
261.11417	0.1
263.12698	2.7
264.13428	0.1
307.11740	0.7
397.20038	0.9
411.17941	0.7
531.27435	2.6
558.24866	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	548.319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07006	1.8
59.04950	2.9
67.98928	1.8
72.04058	3.9
72.04430	59.7
88.02139	100.0
108.33921	2.0
119.29576	1.9
120.33325	1.8
121.06456	2.8
148.64287	1.9
177.12672	9.6
204.12344	2.0
270.46545	2.3
311.14301	2.2
316.13559	2.5
328.13602	10.0
384.19891	10.4
436.19370	20.2
492.25449	13.0
548.31256	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	548.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24199	0.5
55.05444	2.6
56.04983	0.8
56.96495	0.7
57.43986	0.5
58.06550	0.9
59.78987	0.6
60.08098	27.9
64.41164	0.5
67.05424	3.8
67.38570	0.5
68.24731	0.5
69.06987	2.3
71.07286	9.9
72.00230	0.6
79.05426	0.8
80.10159	0.6
81.06964	4.7
86.09629	74.9
87.56310	0.5
92.10276	0.6
93.06963	0.7
93.41963	0.5
95.08546	3.6
96.66614	0.5
98.98402	6.0
104.10683	97.9
109.10115	0.6
124.99967	45.4
143.01035	0.8
154.94186	1.2
172.95186	4.8
184.07306	100.0
185.07704	0.7
186.96738	14.4
190.96217	4.9
204.97816	15.1
204.99442	0.9
209.98505	0.8
224.88362	0.8
228.97824	2.4
229.18668	0.6
242.99416	3.0
250.85425	0.7
321.21155	0.8
339.21994	3.5
475.21057	4.9
489.22903	9.6
530.35834	6.8
547.38177	2.4
548.37097	36.6
549.37262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1604
Annotation	Mollupentin 2'-O-rhamnoside
Peak:m/z	Relative Intensity
54.68685	2.1
55.01381	2.8
55.01815	17.8
55.05436	2.1
55.28298	1.7
57.03351	2.8
61.02843	4.1
69.03345	53.4
70.06496	4.6
73.02803	2.8
73.06468	22.6
79.05408	9.4
81.03331	9.1
83.01286	2.2
83.04896	2.6
84.04410	3.9
84.08047	3.4
85.02831	18.4
86.09610	2.6
87.04384	2.4
89.03831	3.3
91.05374	8.3
93.03328	2.1
93.06986	2.5
97.02811	13.0
99.04367	2.4
105.03332	24.7
107.04882	4.1
109.02823	8.2
110.07143	3.3
111.04384	3.9
117.03357	16.4
119.04885	29.7
121.02818	92.2
121.03700	4.3
122.03196	4.7
123.04367	17.1
124.03893	9.4
127.03863	9.6
131.04820	2.8
135.04407	5.4
141.01775	3.6
145.02812	52.9
146.03136	10.4
146.05966	17.1
147.04387	20.5
147.06264	3.5
149.05974	4.8
151.03775	2.5
159.04353	2.9
162.05479	48.6
163.03824	8.2
163.05841	2.6
174.05359	2.8
175.03867	10.0
177.05432	43.6
178.05769	15.0
179.03291	2.6
179.05887	3.1
181.04945	4.8
189.01811	8.7
191.03355	9.7
195.02866	13.9
195.10107	3.2
203.03345	27.8
205.04886	3.5
207.02917	21.2
207.06384	8.2
211.03722	2.1
215.03336	12.8
217.04881	15.3
219.02835	4.4
221.04419	18.9
227.03401	3.7
229.04955	5.1
233.04407	7.2
243.02649	3.1
245.04497	8.9
257.04257	3.6
261.03888	3.2
264.01794	3.1
267.06403	3.2
268.07364	3.9
269.04324	2.9
273.04010	3.2
279.06445	10.0
282.02728	11.4
283.05930	8.1
291.06476	4.3
292.07175	8.9
293.08072	11.2
294.05194	25.4
295.05942	96.9
296.06494	17.2
297.07529	14.1
305.08093	4.3
306.08783	2.5
307.05930	73.0
307.09198	5.1
308.06635	36.3
309.07532	44.7
313.07053	9.6
317.07916	4.6
319.05933	12.0
319.09299	2.6
320.06635	14.0
321.03925	4.5
321.07489	100.0
322.08109	17.7
323.05511	3.2
323.08978	12.0
325.06985	80.0
326.07352	2.8
329.07861	3.7
331.09521	3.8
333.07443	45.7
334.08148	12.7
335.05365	4.2
335.08954	33.4
336.06219	7.9
337.06995	64.6
339.08545	11.1
345.07480	21.4
347.09000	17.7
349.06970	83.7
350.07306	4.7
351.08508	33.5
355.08136	3.7
359.09024	8.9
361.06848	29.0
362.07425	3.5
363.08478	41.5
364.08942	3.9
367.07956	14.1
373.06931	23.3
374.07333	2.6
375.08643	27.4
376.09061	2.8
379.08023	58.7
387.08432	14.2
389.10168	4.6
391.07983	62.5
393.09656	25.2
401.10098	5.1
403.07425	15.9
405.09769	22.3
409.09076	54.4
411.10641	26.5
413.09894	4.1
415.07962	14.9
417.09842	3.0
421.08966	2.7
423.10419	3.0
427.10260	35.7
429.11267	3.9
431.10986	4.8
433.08966	15.0
441.10818	8.7
447.10733	17.3
459.10928	16.9
465.11758	31.8
477.11563	25.6
483.12701	58.3
495.12762	81.7
496.13132	4.8
513.13879	72.4
514.14014	5.3
531.14941	30.6
548.62897	3.6
549.15955	25.7
549.63458	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	549.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.6
55.05447	2.2
56.04971	3.3
57.03373	3.0
57.07007	10.4
61.02856	3.9
62.81110	1.5
67.05421	9.8
69.03350	24.3
69.06987	2.3
70.06525	16.9
71.04906	2.9
72.08061	3.3
73.02827	3.5
79.05367	1.6
80.59232	1.5
81.03336	13.9
81.06966	12.7
83.72139	1.6
84.04421	10.5
84.08067	7.5
85.02826	100.0
85.06457	8.7
86.09619	8.5
87.04388	1.6
89.03877	1.8
90.59979	1.7
91.05416	13.8
93.06973	6.6
95.04899	2.7
95.08530	27.9
95.73005	1.9
97.02830	24.4
99.04377	7.4
102.05438	1.6
105.06980	26.1
107.04899	8.9
107.08518	7.4
109.02830	9.8
109.06464	12.2
109.10126	12.9
110.07107	8.4
111.04324	2.3
112.08638	2.8
115.08710	1.8
117.03365	7.0
119.04913	6.2
119.08541	26.5
121.10099	11.8
123.08009	10.3
123.11659	38.9
125.05952	6.7
127.03842	18.0
129.10245	2.1
131.08514	3.4
133.06438	2.1
133.10144	1.9
135.11679	2.7
136.07532	3.6
145.02785	19.2
145.04945	15.8
145.10112	9.3
146.05971	3.4
147.04396	6.7
147.08067	2.2
147.11665	30.3
149.01205	3.4
149.09564	12.6
151.07533	7.5
156.09311	2.4
159.10179	2.3
162.05496	3.6
163.05959	3.9
165.12718	2.3
167.10602	1.8
171.11702	3.9
174.10365	1.8
175.03802	3.6
177.05481	29.9
189.12735	24.7
195.05371	3.0
207.06544	4.0
207.13788	34.4
225.14740	6.8
279.89954	1.9
325.10922	2.0
333.16849	7.9
339.10678	2.7
351.17960	13.3
369.19125	3.4
435.71216	1.7
548.76642	1.8
549.15625	3.7
549.25659	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	550.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78973	1.9
53.03870	2.3
53.91410	1.9
55.05190	3.4
55.05451	62.4
56.92970	2.2
57.03367	14.6
57.07015	30.5
63.10359	2.1
67.05080	3.2
67.05430	75.4
69.06989	100.0
71.04913	2.6
71.08533	15.6
73.02797	2.5
73.21936	2.2
75.04366	2.3
76.05756	2.1
76.55384	2.8
79.05402	29.3
79.99442	2.3
81.06516	3.1
81.06974	73.4
83.08539	66.0
85.02821	15.7
85.10094	11.0
86.09632	2.5
91.05360	2.5
93.06968	44.3
95.01260	19.7
95.08533	75.9
97.06460	12.3
97.10097	42.4
99.00715	2.5
107.08524	34.3
109.10107	38.4
111.08031	4.0
111.11660	14.2
112.57893	2.5
112.64272	2.2
113.02325	3.5
119.08556	3.0
121.10098	61.4
123.00851	2.7
123.11655	5.3
125.13224	2.7
135.11661	45.8
137.13188	3.4
139.11200	3.0
141.01811	18.6
149.13232	14.2
151.14796	4.3
163.14780	9.2
165.16298	5.7
172.95270	2.4
177.16322	2.4
186.88782	2.5
186.96767	2.6
191.17848	2.9
204.97838	4.2
211.93581	2.3
247.24176	44.3
265.25208	85.3
283.26288	11.8
339.28851	74.5
339.76953	2.6
357.29962	45.7
431.71118	2.8
550.46198	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	550.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	2.4
53.03863	2.1
54.81464	2.0
55.05453	58.1
57.03364	11.7
57.07017	34.1
57.81800	2.1
60.21394	2.0
62.97688	2.3
67.05431	69.7
69.06992	100.0
71.04916	2.9
71.08556	9.7
73.02846	2.5
74.09708	2.0
74.56504	2.0
74.94363	2.3
79.05409	28.3
81.06978	70.0
83.08090	3.9
83.08543	56.6
85.02835	11.4
85.10092	4.2
86.09637	2.9
91.05390	3.3
92.10929	5.2
93.06973	42.4
95.01264	9.5
95.08532	69.7
97.06463	16.1
97.10113	38.7
105.03361	19.8
107.08523	26.7
109.10111	37.3
110.52249	2.7
111.08046	14.3
111.11674	10.3
113.02339	2.2
121.10107	54.5
123.11670	5.3
125.09572	3.3
135.11665	47.3
141.01750	5.8
149.05975	10.7
149.13196	16.6
151.14825	4.0
163.14836	5.8
165.16396	4.9
172.95247	11.1
186.96776	26.0
190.96301	3.7
204.97829	29.8
232.19611	2.9
247.24190	29.9
265.25214	76.0
267.65390	2.5
283.26273	13.9
339.22363	3.0
339.28922	76.0
340.22589	3.3
340.29480	2.8
357.29996	22.4
476.21411	4.0
490.22977	14.1
515.32281	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	550.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04960	0.3
60.07792	0.4
60.08093	9.7
67.05417	0.5
69.06960	0.4
71.07290	3.9
73.32881	0.3
86.09631	50.0
98.98392	4.1
104.10692	4.3
109.10144	0.4
114.79808	0.3
124.99969	36.5
143.00992	0.9
145.02849	0.9
152.02852	0.3
177.05434	0.7
178.05734	0.5
184.07309	100.0
185.07692	0.7
217.64362	0.4
281.41681	0.5
303.57562	0.4
313.53943	0.4
344.43069	0.4
532.37347	0.8
550.38617	4.7
569.70844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3867
Annotation	Butenoyl PAF
Peak:m/z	Relative Intensity
50.77974	0.3
57.06997	0.4
60.08097	9.2
63.62608	0.3
71.07286	4.7
86.09630	48.8
87.09969	0.5
96.58021	0.4
98.98403	3.6
104.10707	3.8
119.08527	0.6
124.99966	35.4
143.01085	0.5
173.23698	0.5
184.07309	100.0
185.07629	0.7
259.85922	0.4
390.35434	0.4
437.32141	0.4
550.38525	5.1
575.64563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13924	1.1
55.05448	2.8
57.06999	1.5
59.04930	8.5
60.08098	23.7
69.06985	3.1
71.07283	8.6
71.99643	1.2
73.68184	1.2
74.48314	1.2
78.49847	1.2
80.31967	1.2
83.08531	1.7
86.09627	67.6
93.06940	1.4
95.08549	2.8
97.54258	1.2
98.98400	5.5
104.10682	91.9
119.08544	5.2
124.99966	41.0
137.50751	1.1
156.58984	1.3
181.06613	1.5
184.07306	100.0
239.40379	1.2
279.22153	1.4
328.15738	1.5
402.71875	1.4
470.10968	1.6
532.37469	5.6
550.38525	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	550.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	2.2
55.05453	0.9
56.86451	1.1
57.03385	0.9
57.07010	15.5
58.06528	1.3
58.42944	0.8
62.38515	0.9
67.05445	1.2
70.06513	19.2
71.08537	4.3
81.06987	1.1
83.04894	1.2
85.02813	8.3
88.07553	25.4
95.08537	1.7
99.04387	25.6
102.09115	16.8
109.10107	4.4
119.08545	1.6
127.03905	2.4
128.04662	14.7
129.04301	0.9
129.05466	0.9
133.10126	4.1
137.06015	1.8
137.09641	2.1
160.08807	1.6
161.09586	1.5
165.05434	1.8
175.11147	10.3
193.12267	1.6
203.10585	1.7
209.08130	5.0
221.11710	4.1
230.16685	1.0
256.26297	79.9
257.26685	2.2
265.14368	6.5
274.27472	1.4
297.12665	1.1
321.20517	13.6
532.43939	1.9
550.44598	100.0
551.44910	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	551.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74129	0.6
65.03857	5.3
70.07300	0.8
79.05459	0.8
80.72599	0.7
81.29814	0.8
86.80856	0.8
99.36108	0.8
104.53227	0.9
121.02813	1.7
139.03879	4.9
145.02853	1.2
147.04340	1.2
149.02318	100.0
149.03415	7.3
168.15395	0.8
193.04921	67.3
194.05283	1.5
248.46750	0.9
341.06543	3.2
359.07388	1.2
372.54065	0.9
385.09058	14.8
390.20139	0.8
533.10559	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26778	0.2
53.19886	0.2
57.03373	0.4
57.07092	0.2
61.02849	1.0
69.03352	2.5
69.28210	0.2
70.06514	0.3
73.02826	0.3
79.05412	0.6
81.03339	1.0
85.02837	7.0
87.04403	0.2
91.04823	0.2
91.05418	1.1
93.06974	1.1
97.02838	2.5
97.72955	0.3
98.97552	0.4
99.04422	0.3
103.05423	5.2
106.06506	0.4
107.04913	2.6
109.02867	0.3
110.00421	0.2
116.04946	1.1
120.08064	100.0
121.08391	4.4
127.03874	1.4
131.04895	2.7
134.06012	2.8
144.04391	1.8
145.04906	1.1
146.05917	0.3
149.05954	1.8
158.05969	0.3
162.05481	63.0
163.05838	1.0
164.03442	0.3
166.08612	19.9
167.08936	1.0
174.05484	0.6
176.06996	0.6
177.64575	0.3
186.05406	0.3
204.06546	1.7
206.04523	0.9
224.05519	1.4
228.06538	0.4
295.11249	0.2
324.10709	7.5
368.09711	3.3
386.10617	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96498	0.9
66.20367	0.2
85.02812	0.3
105.06976	0.5
117.86564	0.2
131.04922	0.3
131.08528	0.3
132.34119	0.3
133.10124	0.6
146.06003	0.6
153.74934	0.3
159.03256	0.5
166.01791	0.3
169.75562	0.2
184.02765	3.4
186.04280	0.3
187.02808	1.2
188.57054	0.3
197.05927	0.9
201.09126	0.5
202.03818	2.3
209.05859	0.3
215.07002	1.1
217.08568	2.3
219.10098	0.3
221.59845	0.2
227.07004	1.0
235.09613	2.1
237.14561	0.3
245.08037	0.5
247.11192	0.6
248.09758	0.4
254.10779	0.2
259.13446	0.3
263.10553	0.6
264.13864	1.4
265.12183	5.0
266.10544	4.0
267.13666	0.5
268.12183	0.5
277.26215	0.2
279.10004	1.9
281.11710	1.1
282.14865	1.2
283.13229	14.4
284.11578	5.2
291.10083	1.4
293.11685	0.6
297.11288	0.5
300.15701	0.3
301.14316	4.6
302.12680	0.4
308.12631	1.8
309.11136	9.2
310.11462	0.3
311.12732	1.0
323.17618	0.8
326.13855	1.3
327.12244	2.5
331.16910	0.3
341.18469	3.8
342.18570	1.0
346.21719	1.0
347.19919	0.3
356.16498	1.2
359.19650	1.3
360.19388	1.7
364.22748	1.4
371.21185	0.4
375.15616	0.5
381.25134	0.4
389.22137	5.8
390.22354	0.3
393.16904	0.4
405.21750	0.3
407.23184	12.6
408.23401	0.5
425.24243	15.1
426.24481	1.1
437.25894	0.4
451.57260	0.3
455.26898	1.3
473.21527	0.5
473.27890	6.6
474.28424	0.4
491.28943	100.0
492.29245	6.9
551.31030	7.4
552.31049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	2.2
54.70470	2.8
55.01804	10.9
55.05453	67.9
57.07015	73.9
58.14306	2.8
59.89621	2.4
67.05428	81.7
69.06992	34.0
71.04908	4.9
71.08549	51.3
72.19418	3.2
79.05411	39.4
81.03348	3.4
81.06976	100.0
83.04896	11.6
83.08550	41.0
85.06454	4.7
85.10102	16.0
91.05418	30.4
93.06979	41.2
95.04910	14.0
95.08538	62.6
97.06455	6.3
97.10113	22.4
99.08025	6.7
102.37309	3.5
105.06962	21.2
107.08548	32.9
109.06449	5.0
109.10098	25.6
111.08008	3.8
113.09681	2.9
117.07020	3.7
119.08539	11.7
121.10085	12.4
123.07971	3.4
123.11700	4.2
125.09493	9.8
128.18582	2.7
131.08585	4.9
133.10114	14.1
135.11694	14.2
137.13202	2.7
143.08453	3.6
147.11659	3.9
149.13287	5.5
151.11191	4.5
159.11597	3.4
161.13173	4.6
165.12611	3.4
177.12718	54.6
189.11194	14.2
195.13835	10.1
277.21585	34.9
433.36627	3.3
464.28845	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	552.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	4.1
55.01798	6.2
55.05438	5.8
57.03374	3.6
57.07004	0.9
61.02850	1.2
67.05413	6.9
69.03349	17.6
69.06972	3.8
70.06500	4.7
71.04903	2.4
72.08049	1.7
73.02820	1.8
76.02104	1.0
76.10410	1.0
79.05405	21.9
81.03338	21.8
81.06971	16.2
83.04888	8.7
84.04421	2.5
85.02344	1.6
85.02824	28.5
85.06430	1.0
86.00570	1.0
86.09613	1.3
91.05402	55.2
92.05714	1.5
93.06969	16.2
95.04902	12.5
95.08527	2.6
97.02820	17.0
97.06459	2.3
99.04348	4.8
103.03889	1.8
105.03318	1.1
105.06973	56.1
106.07278	1.2
107.04902	16.2
107.08518	9.9
109.02819	6.2
109.06482	13.6
111.04372	4.7
111.08002	1.7
116.98559	1.1
117.03324	2.6
117.06959	12.2
119.04904	8.5
119.08521	18.7
121.06445	11.4
121.10121	1.8
123.04319	1.8
123.08008	5.2
124.03928	1.6
125.05985	7.8
127.03870	7.1
129.06950	9.5
131.08521	41.6
133.06471	9.2
133.10091	100.0
134.10437	2.0
135.04352	1.4
135.08052	5.1
136.07498	1.9
137.05925	7.0
141.06967	1.6
142.07794	1.5
143.08528	8.9
145.02814	6.8
145.04910	2.3
145.06444	9.1
145.10095	18.6
147.04414	9.5
147.08017	13.3
147.11652	24.1
148.04778	1.5
149.06015	2.6
149.09579	7.6
151.07532	7.8
151.11111	4.3
153.05455	1.7
155.08463	2.0
157.10088	9.1
159.08026	4.9
159.11629	5.9
161.05925	1.7
161.09598	2.3
162.05467	7.9
163.07494	5.6
163.11090	1.1
165.06981	2.2
165.09038	1.8
167.06963	1.4
167.10649	1.1
169.10098	4.5
171.07997	1.5
171.11638	6.5
173.09549	8.9
175.03885	2.4
175.11131	30.6
175.14725	1.3
177.05423	8.5
177.09082	4.3
179.08592	1.1
181.09991	2.0
185.09552	5.5
187.11145	4.8
189.12746	1.5
191.10651	1.8
193.12204	33.3
195.11624	1.7
197.09560	1.9
199.11188	4.5
201.12946	1.3
205.12207	4.4
207.06427	6.3
209.09677	1.2
213.12604	1.9
217.12155	2.4
220.55869	1.2
223.11067	2.3
223.13104	1.6
233.11797	1.5
241.12166	5.6
255.13763	1.2
259.13196	5.7
269.10172	1.5
277.14328	1.1
282.02905	1.3
283.13165	4.6
301.14319	10.4
319.15298	19.9
337.16357	39.7
355.17413	22.0
491.28568	4.4
492.29498	2.1
552.13678	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	552.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07011	6.0
58.48841	0.9
60.07826	1.6
60.08098	24.9
71.07288	6.3
71.08564	2.0
81.06999	1.4
85.10152	1.2
86.09625	74.9
87.09971	1.6
87.14870	1.0
98.98402	4.6
104.10679	94.5
105.11031	1.1
124.99957	47.2
125.00834	2.0
132.97514	1.1
140.51738	1.3
155.56482	1.1
163.16783	1.1
184.07307	100.0
307.20493	1.3
369.33319	1.4
380.12445	1.3
515.39990	1.3
534.38873	5.0
552.40057	43.7
553.25323	7.0
553.39972	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	553.2558
Annotation	Oboflavanone B
Peak:m/z	Relative Intensity
51.22424	0.4
67.05413	0.4
73.24059	0.3
78.73915	0.4
112.81688	0.4
116.44360	0.4
160.21045	0.4
200.59837	0.4
419.18274	4.4
553.25519	100.0
554.25861	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	554.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51066	0.3
53.00233	0.4
53.03883	2.6
55.01805	3.1
55.05455	1.4
57.03372	6.6
57.07012	8.4
61.02854	12.8
62.85667	0.3
67.05431	4.4
69.03349	20.9
69.06993	5.7
71.01265	0.6
71.04900	3.0
73.02847	3.1
79.05405	38.0
80.05743	0.5
81.03335	9.2
81.06965	5.1
83.04891	11.9
83.05347	0.7
83.08527	0.5
84.53994	0.3
85.02826	100.0
86.03188	0.7
87.04382	1.5
91.03882	3.9
91.05408	5.2
93.06969	41.1
94.07281	0.7
95.04900	1.7
95.08534	4.1
97.02824	23.5
97.06456	6.2
99.04390	4.0
101.02320	0.8
103.03860	0.5
105.06982	2.3
107.04900	5.8
107.08533	14.6
109.02826	8.4
109.06524	0.8
111.07986	1.3
115.03870	0.8
117.06952	1.7
119.08508	0.7
121.06473	2.2
121.10069	1.5
123.08103	0.4
125.05944	18.4
127.03873	17.4
131.08537	2.1
133.10091	11.5
133.11037	0.7
135.08040	1.8
135.11655	94.9
136.11983	2.5
139.07526	12.2
145.04932	17.2
146.06041	0.8
147.04434	0.5
149.13235	10.7
150.13641	0.5
153.09050	2.9
153.12717	5.0
159.11644	2.5
163.05957	7.3
177.12708	12.3
178.13123	0.4
182.94618	0.3
195.13763	65.7
196.14053	0.8
196.61937	0.4
213.14844	1.4
220.11858	0.7
231.66064	0.4
238.81799	0.4
240.38329	0.4
325.11108	0.8
353.20325	0.4
421.16055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99973	1.2
53.16615	1.3
55.05446	2.7
57.07018	43.7
57.87719	1.3
67.05405	1.8
67.53379	1.5
69.06989	6.7
71.08546	36.0
73.06467	3.6
74.70373	1.5
79.11760	1.6
81.06969	3.0
83.08559	3.0
85.10098	21.0
87.04398	2.8
89.05957	100.0
91.05708	16.2
97.01384	1.6
97.10105	3.9
107.06990	7.1
117.09122	1.6
130.44217	1.6
133.08583	34.3
177.11154	10.3
221.13751	2.0
223.06317	3.4
225.04309	13.1
227.02266	1.8
250.57967	1.7
266.99759	2.3
268.97821	2.3
285.00842	2.0
299.06161	3.4
299.29456	7.6
327.20154	11.5
343.31906	2.3
352.76740	2.2
355.06824	4.0
371.10141	2.3
511.08093	1.8
537.43762	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45418	1.3
60.28904	1.6
65.03844	1.9
66.50249	1.7
67.05422	2.0
67.97000	1.6
73.08355	1.7
91.55050	1.7
95.04884	3.0
105.60080	1.6
117.76144	1.7
124.48242	1.7
130.06517	3.5
133.02733	2.4
145.02802	2.0
147.04378	6.7
153.01765	15.0
158.66508	1.6
162.05438	6.8
165.05464	3.3
167.06998	2.4
171.06540	1.8
177.05421	4.1
181.04912	18.2
208.07269	7.5
213.05418	3.4
222.62753	2.1
226.08257	3.5
229.04730	1.9
237.57060	1.8
241.04837	8.0
242.05644	7.0
253.04941	3.0
255.06470	100.0
256.07178	26.6
258.05170	9.4
270.05093	12.0
283.05969	6.7
284.06720	21.3
286.04602	10.3
287.05383	15.1
299.05450	59.0
300.05881	1.9
301.03375	6.8
311.05460	10.3
312.05969	2.4
315.04944	54.1
316.05521	8.0
329.06497	36.2
330.07269	12.9
331.08017	57.2
332.08444	2.9
342.14426	2.0
555.14868	72.2
556.14734	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	555.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	10.9
60.84202	2.1
69.03320	2.2
79.04552	2.1
81.03336	57.3
97.02818	5.7
99.04391	3.4
109.02161	4.6
109.02834	91.5
117.03363	3.9
127.03863	16.2
140.56572	2.4
141.47218	2.8
145.02831	11.5
146.03041	2.8
155.04132	2.5
177.05446	4.7
220.05188	19.8
221.05969	2.8
222.06708	4.1
235.07471	43.3
237.05319	2.8
248.04573	3.7
249.05275	3.0
263.06976	44.7
265.04895	14.0
265.08405	10.5
279.06400	4.9
280.07217	17.7
291.06485	4.4
307.05963	4.8
322.08322	4.7
323.09085	100.0
340.09363	91.8
341.10233	2.9
431.10593	3.0
449.12152	23.0
555.14276	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	555.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	12.8
53.07333	1.9
61.78075	2.1
63.05082	2.0
67.68370	2.0
70.06510	3.0
71.57452	2.6
78.03281	2.1
81.03335	62.7
88.55983	2.3
89.03839	2.3
91.05408	2.4
95.04923	3.0
97.02801	4.1
109.02830	100.0
109.59334	2.5
128.47806	2.4
145.02841	5.0
147.04361	2.4
149.05963	2.4
151.03893	3.4
177.05408	9.4
220.05186	10.5
235.07471	31.1
237.08940	4.5
248.04614	5.5
249.05374	3.7
263.06979	38.0
265.04865	16.1
265.08423	9.3
279.06384	10.1
280.07224	12.8
291.06345	4.8
307.06036	3.8
308.06656	5.4
313.10703	3.5
322.08350	9.5
323.09058	72.2
340.05493	4.5
340.09372	92.4
341.10287	2.9
449.12091	19.2
580.60205	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	555.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19574	0.9
51.80917	0.9
53.05025	1.0
54.81739	0.9
55.05444	5.6
55.27908	0.9
57.03371	11.7
57.06744	1.9
57.07013	38.6
57.16844	0.9
59.77716	1.0
59.94430	1.0
59.97429	1.2
63.03614	0.9
67.05428	12.6
69.03341	1.4
69.06999	8.0
71.08186	1.9
71.08545	26.8
75.26490	1.1
81.03338	8.4
81.06976	15.8
83.08549	10.5
85.10113	12.5
95.08535	23.7
97.10107	4.7
98.98398	100.0
107.64811	1.1
109.02822	7.4
109.10110	9.3
116.99450	4.8
144.75281	1.2
155.01009	94.6
194.93367	1.5
219.42715	1.1
220.42340	1.2
239.23643	4.2
240.40508	1.1
294.12430	1.2
313.27304	55.6
314.27637	1.9
317.06305	4.7
393.23978	6.7
401.28708	4.9
537.28058	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	556.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	4.2
55.01823	3.2
56.04997	0.8
57.03374	5.7
60.04456	1.5
61.02855	11.3
61.46783	0.7
67.05431	1.5
69.03348	22.2
70.06508	9.2
71.04897	3.3
72.08071	3.9
73.02823	5.3
79.05399	0.8
81.03345	13.5
83.04908	1.1
84.04430	3.6
84.08088	7.2
85.02827	100.0
86.03185	1.0
86.09624	1.6
87.04404	1.5
91.03885	4.5
91.05393	1.7
92.52504	0.7
92.64780	0.9
95.04887	25.9
96.04398	1.0
96.35330	0.8
97.02826	35.6
98.05969	1.3
99.04378	6.2
109.02829	8.7
110.07133	4.8
110.39635	1.0
119.04911	3.3
120.08113	0.8
123.04385	21.7
124.05199	7.7
125.02336	3.1
125.05986	1.0
127.03876	18.9
129.10202	1.0
136.03767	1.0
136.07587	1.9
137.05949	1.8
139.03871	1.5
140.04680	15.2
141.05479	1.6
144.06514	1.6
145.02876	0.9
145.04942	17.3
147.04372	12.2
150.05467	1.2
151.03883	1.2
153.01802	3.1
153.05434	0.8
155.07004	23.0
155.08177	1.5
157.04980	3.3
162.05447	4.8
163.05962	5.8
167.03363	1.0
168.04169	13.3
177.05502	1.7
183.06491	95.0
184.07050	4.6
185.04419	55.2
188.03439	0.8
189.03738	1.1
189.08589	0.9
200.06761	90.1
201.07150	3.5
207.10390	0.8
215.09114	74.9
216.09410	1.3
219.93236	0.9
287.67728	0.8
304.44330	0.9
380.60300	1.1
556.28571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	1.2
55.01808	4.6
55.05447	1.6
56.04967	3.6
57.03370	7.7
60.04455	1.7
61.02860	8.7
63.34525	0.7
65.03846	1.1
68.99693	0.9
69.03351	17.2
70.06512	8.2
71.04930	1.5
72.08084	5.8
73.02823	4.1
74.05985	2.0
76.02816	0.8
76.46879	0.7
77.48254	0.8
81.03354	9.6
81.98518	0.7
83.01279	1.0
83.04911	1.3
84.04433	6.4
84.08067	11.3
85.02830	72.0
86.06043	0.8
86.09628	1.9
87.04380	0.9
89.03860	1.2
91.03889	1.1
91.05394	4.4
95.04897	4.3
97.02819	25.5
98.03140	0.8
99.04371	3.9
102.05478	3.1
103.03831	0.8
109.02832	10.4
110.07100	1.6
111.04381	4.4
115.08623	1.0
119.04875	4.4
120.08096	0.8
123.04401	1.6
124.03893	1.2
125.02322	13.8
127.03905	15.0
129.10208	4.4
130.04958	1.7
135.04416	1.7
136.06172	1.9
136.07552	4.4
137.02278	1.9
139.03870	0.9
140.04663	9.7
141.05504	1.1
145.02887	3.4
145.04935	12.1
146.24335	0.8
147.04395	12.9
151.03876	1.9
153.01793	20.5
155.07005	17.3
157.04980	1.8
163.03870	5.3
163.06029	3.2
167.06987	1.1
168.04144	56.2
169.04890	4.1
170.53659	0.9
172.03708	1.0
177.05411	1.4
178.05925	0.9
183.06488	100.0
184.07111	5.5
185.04410	27.9
185.08234	1.1
194.23482	1.0
200.06772	28.5
202.10898	1.7
215.09120	58.8
236.21754	0.9
399.31888	0.9
556.22009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82127	0.2
56.96491	0.4
79.85668	0.2
91.05397	0.4
93.06974	1.2
98.97515	0.2
103.05399	4.8
107.04236	0.2
107.04882	2.5
112.30811	0.2
114.38177	0.2
120.08051	100.0
121.06482	0.3
121.08391	2.0
121.85629	0.2
131.04866	3.4
148.07594	0.2
149.02298	1.8
149.05977	2.7
166.08589	23.7
167.06990	3.0
167.08931	0.5
181.08572	1.4
182.27695	0.2
210.39703	0.2
211.09618	1.8
237.02769	0.3
391.09354	0.5
528.93140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.9
54.82035	0.4
56.62184	0.3
61.22727	0.3
67.01766	0.4
67.44759	0.3
67.87093	0.3
68.99705	0.6
70.41354	0.3
76.52792	0.3
76.56654	0.3
77.83029	0.3
81.03341	7.2
89.03844	9.7
90.67748	0.3
91.05421	0.6
95.04887	0.3
99.04385	4.8
106.04143	0.6
106.17104	0.3
107.50396	0.3
109.02820	7.1
117.03330	36.7
124.05066	0.4
127.03905	4.2
130.26552	0.4
134.03619	1.9
135.04382	2.1
145.02823	84.0
146.03200	0.5
149.05959	12.4
162.03062	0.7
163.03911	0.6
167.27043	0.4
169.03493	0.5
169.04924	15.0
177.05432	100.0
178.05785	1.4
186.05443	0.7
285.07562	2.0
303.08621	2.2
303.38748	0.4
317.17920	0.4
319.32010	0.4
345.09589	2.1
510.73575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	1.1
63.02292	0.4
67.01784	0.4
68.99693	0.6
71.04894	0.3
81.02895	0.4
81.03335	6.5
81.06160	0.3
89.03831	10.0
91.05399	1.1
99.04395	3.7
106.04094	0.4
109.02839	7.1
116.62199	0.3
117.03323	36.3
119.04898	0.4
127.03863	5.2
134.03564	2.2
135.04414	2.2
141.06914	0.4
145.02817	82.2
146.03185	1.1
147.04361	0.4
149.05945	12.0
163.03865	0.4
169.04926	13.6
169.06436	0.4
177.05426	100.0
178.05753	2.3
186.05450	0.5
203.41412	0.3
242.05620	0.4
285.07556	2.8
303.08539	3.2
345.09760	2.4
391.54926	0.3
403.37485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15841	0.2
53.03876	0.7
64.32716	0.3
67.01781	0.7
68.99701	0.6
76.14928	0.3
78.04605	0.4
80.52928	0.3
81.03326	6.4
83.47083	0.3
89.03838	9.4
91.05379	0.6
95.04881	0.3
99.04377	3.4
103.05373	0.3
106.04113	0.4
109.02816	7.2
109.90455	0.3
117.03326	32.7
118.03730	0.4
119.04842	0.5
119.08539	0.3
124.05101	0.4
127.03860	4.8
134.03593	2.2
135.04390	2.7
137.18095	0.3
145.02820	81.7
146.03134	1.2
147.04356	0.6
149.05962	11.2
163.03957	0.5
169.03464	0.6
169.04935	16.7
175.03865	0.5
177.05429	100.0
178.05795	1.7
186.05435	1.6
215.06917	0.5
247.08539	0.4
264.45496	0.3
285.07507	3.1
295.57193	0.4
303.08548	3.4
345.09741	3.0
350.73022	0.4
393.88242	0.3
449.82556	0.4
497.98694	0.3
572.08331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54001	0.3
53.03881	1.4
56.87562	0.3
61.09711	0.3
67.01774	0.7
68.41449	0.3
71.04900	0.5
79.99084	0.4
81.02897	0.5
81.03333	6.6
89.03309	0.5
89.03839	10.7
91.05402	1.4
99.04382	3.8
109.02827	7.4
117.03329	36.4
118.03589	0.4
119.04858	0.7
119.36491	0.3
119.57037	0.4
121.06465	0.4
124.05166	0.5
127.03875	4.4
134.03575	2.2
135.04385	3.2
145.02823	86.5
146.03140	1.6
147.04379	0.8
149.05968	14.3
159.56158	0.3
162.03085	0.4
163.03868	0.9
169.04936	14.6
169.06378	0.7
177.05434	100.0
178.05748	1.6
186.05487	1.6
275.75366	0.4
285.07446	2.0
303.08490	3.3
345.09570	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	557.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	1.3
55.42280	0.2
57.96996	0.2
63.02299	0.5
66.84134	0.2
67.01794	0.6
68.99715	0.5
70.06505	0.2
70.11243	0.2
72.08062	0.2
73.69508	0.2
78.04609	0.2
81.03339	6.5
89.03839	10.2
91.05406	0.9
93.06944	0.2
93.12968	0.2
95.04868	0.2
99.04374	3.6
103.05398	0.4
106.04129	0.3
107.70107	0.2
109.02832	7.7
115.05382	0.2
117.03330	36.2
118.03666	0.5
119.04923	0.8
124.05180	0.3
126.02459	0.3
127.03889	4.2
130.27869	0.2
134.03598	2.9
135.04402	3.7
141.33060	0.3
145.02824	86.4
146.03172	2.2
147.04405	0.5
149.05962	12.6
157.06607	0.2
163.03835	1.0
169.04935	15.7
177.05435	100.0
178.05841	2.4
183.44917	0.3
185.05896	0.3
185.09785	1.1
186.05441	1.5
187.07846	0.3
207.76064	0.2
221.04401	0.3
259.09653	0.4
285.07495	2.6
293.07431	0.2
303.08563	3.3
345.09598	2.8
346.09964	0.3
418.69308	0.3
424.22479	0.5
466.65253	0.3
513.31464	0.3
557.16095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.4
55.05474	0.1
57.03378	0.1
58.22165	0.1
62.72551	0.1
63.79239	0.1
64.33759	0.1
69.03352	1.0
70.06518	0.2
72.08087	0.2
73.00811	0.2
76.90182	0.1
81.03334	2.0
83.57935	0.1
85.02837	0.9
86.09624	0.2
89.03847	0.2
91.05386	0.3
97.02829	1.6
104.28905	0.2
109.02831	4.1
109.03524	0.2
110.07146	0.2
116.04945	0.2
117.03355	0.2
118.06496	0.8
119.04903	0.3
127.03869	1.3
128.04904	2.6
131.33141	0.1
132.04419	2.1
134.05978	0.7
144.04471	0.2
145.02806	1.3
146.05988	100.0
147.04405	1.2
147.06316	1.7
148.03900	0.3
157.69339	0.2
162.05467	30.8
163.05849	0.3
174.05467	10.0
177.05476	1.3
177.06833	0.2
186.05405	0.3
190.03249	0.2
190.04933	3.3
192.06523	6.2
204.06480	0.4
218.08047	0.2
222.07564	7.2
223.07614	0.2
246.07585	1.0
254.08031	0.6
264.08694	0.3
300.08588	1.0
318.09534	1.6
336.10669	0.6
392.70486	0.2
509.76636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36668	0.7
56.04961	4.1
56.96485	1.1
57.98749	0.6
59.30391	0.7
59.87675	0.7
60.04439	3.8
67.51500	0.6
69.03345	1.2
70.02871	33.0
70.06499	5.0
72.04429	1.5
72.08066	1.5
74.02364	6.1
74.05967	0.8
76.03914	12.1
84.04418	17.1
84.08055	3.2
85.02828	1.5
85.39499	0.8
88.03899	3.8
97.02809	1.8
98.97498	1.5
99.05515	11.1
103.04976	1.0
107.06004	1.2
109.07582	1.5
110.07130	1.3
116.03381	4.5
116.98581	0.9
117.06606	1.3
121.01041	1.4
125.07048	4.1
127.03973	1.1
127.04995	3.1
129.10197	1.3
130.04932	4.4
136.06169	1.7
136.07677	0.8
136.39635	0.8
143.74669	0.8
145.06053	100.0
146.05989	1.7
147.04422	1.1
148.03856	4.7
149.00536	5.7
151.02051	1.2
153.06575	3.4
155.08075	1.2
160.02188	1.0
162.03784	0.9
162.05478	1.7
163.02028	1.4
164.99976	3.6
165.03723	1.4
166.04994	6.8
167.05321	1.8
167.20404	0.7
169.06004	1.8
172.03894	3.9
178.03090	1.3
179.01582	0.9
179.03220	0.9
184.05986	3.5
185.04684	3.1
188.01573	2.9
188.03368	3.9
189.02345	0.9
190.03201	10.4
192.04848	1.8
192.99544	6.7
199.07138	4.7
201.04178	4.7
202.04979	0.9
204.99524	1.5
206.02640	5.0
206.04378	1.0
216.01106	4.8
218.02673	15.5
218.04619	1.3
234.02136	10.6
237.02998	0.8
241.03758	1.1
245.03738	1.5
274.10208	8.2
431.22861	0.9
499.11768	0.8
512.97034	0.8
557.30945	0.9
558.13251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27633	0.8
53.40113	0.9
55.05448	1.5
55.90333	0.8
56.04944	0.9
56.96515	0.9
69.03344	4.4
70.02862	1.4
70.06522	10.2
71.04875	1.5
72.08068	4.6
73.02819	5.7
75.29483	1.0
81.03343	2.0
84.04420	3.9
84.08051	7.6
85.02829	6.2
86.09624	6.2
89.03765	0.9
97.02794	2.4
107.04911	1.2
109.02837	1.6
110.07107	1.7
125.78734	1.1
127.03856	4.1
129.10139	1.1
130.04883	1.0
130.06482	2.3
145.06032	6.6
146.05916	3.7
147.04364	3.9
166.05003	1.0
169.04663	0.9
173.02925	1.5
177.05447	1.3
185.04202	4.2
201.03633	2.3
203.05299	2.0
210.06064	1.5
221.05016	1.7
245.04993	1.2
254.05096	2.2
259.07889	3.9
305.08179	1.8
306.04401	1.2
347.09415	100.0
348.09766	1.2
365.10431	31.6
393.09998	25.8
456.09460	1.4
498.10706	1.2
541.13562	1.8
557.29364	3.9
558.14087	27.7
558.30127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.9
55.05450	8.9
56.04963	4.6
56.10511	0.8
57.07019	7.1
58.06534	1.0
62.99956	4.2
67.05085	1.0
67.05428	22.7
69.06997	9.2
70.06489	1.9
71.08561	2.5
74.90195	0.7
76.04065	0.8
76.56030	0.8
79.05402	18.9
80.04930	6.8
81.05711	3.9
81.06975	18.7
82.06499	11.7
83.08515	3.5
85.10099	1.7
89.05961	1.1
91.04901	1.1
91.05410	17.9
93.04721	0.8
93.06975	18.8
94.05921	1.6
94.06494	40.9
94.07098	1.8
95.04875	5.1
95.07274	9.3
95.08537	12.3
96.08052	7.0
97.10070	1.6
105.06992	11.7
107.07304	1.0
107.08513	7.2
108.08051	4.2
109.10090	4.3
119.08543	6.8
121.08774	1.2
121.10093	4.1
122.09665	6.5
131.08553	0.9
133.10091	4.5
134.09618	0.9
135.11656	3.4
136.11110	0.9
152.70714	0.8
233.22639	1.0
234.22173	1.2
245.22520	1.6
250.25182	5.1
262.25247	100.0
263.25540	4.0
280.26279	13.1
355.14859	1.0
491.76486	0.8
505.66415	0.8
509.03778	0.9
522.46399	6.6
540.47736	17.2
541.47650	1.5
544.42853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.3
63.02300	0.1
66.96274	0.1
69.03358	0.6
71.04890	0.1
81.03339	1.7
84.08036	0.1
85.02806	0.4
91.05402	0.1
95.11277	0.1
97.02821	0.9
109.02834	3.0
109.83762	0.1
116.04924	1.1
119.04906	0.1
124.62887	0.1
127.03882	0.9
134.05980	3.0
144.04405	2.2
145.04918	0.1
146.06021	0.2
147.04521	0.1
148.03903	1.2
162.05470	100.0
163.05830	2.4
186.05466	0.1
187.57558	0.1
190.04951	8.9
191.05310	0.2
204.06523	0.2
208.06015	7.0
209.06390	0.2
234.07664	0.1
262.07056	0.5
270.07568	0.7
280.08130	0.5
298.07083	0.4
316.08066	1.1
334.09195	2.1
352.10205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02299	0.1
53.03883	0.5
54.58795	0.1
54.81785	0.1
57.03374	0.1
63.39612	0.1
63.41276	0.1
65.03857	0.1
69.03349	0.8
70.06508	0.1
71.04894	0.1
72.08117	0.1
81.03336	2.0
85.02827	0.5
89.03872	0.1
91.05405	0.3
92.04924	0.3
97.02834	1.0
99.04385	0.2
106.06476	0.1
109.02828	3.5
116.04918	1.4
119.04890	0.1
127.03877	1.1
134.05978	3.4
144.04416	2.3
145.02878	0.1
145.04893	0.1
146.06007	1.3
147.04395	0.3
148.03908	1.3
149.04193	0.1
161.04706	0.1
162.05466	100.0
163.05823	3.3
163.06845	0.1
169.11954	0.1
172.03972	0.1
174.05455	0.1
177.05409	0.1
186.05539	0.1
190.04948	9.2
191.05336	0.3
204.06543	0.4
208.06013	8.0
209.06360	0.3
234.07530	0.1
250.06976	0.1
262.07019	0.6
270.07529	0.7
272.57861	0.1
280.08133	0.5
298.07120	0.4
316.08008	1.1
334.09088	2.1
352.10080	1.0
499.92514	0.1
559.14929	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	559.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	2.4
70.06504	2.8
70.47368	0.5
72.08060	1.4
81.03330	2.7
84.04417	0.8
85.02825	2.3
86.09634	0.7
91.05403	1.0
93.07011	0.7
97.02825	2.3
105.06956	0.6
107.04895	1.0
107.08537	0.7
109.02866	0.8
110.07125	0.7
117.03342	0.7
119.03561	0.6
119.04919	1.3
124.03863	0.7
127.03890	0.7
134.63072	0.5
135.04427	0.7
136.07527	0.6
137.05922	0.5
145.02815	4.0
146.05981	17.3
147.04381	2.9
151.13983	0.6
162.05461	21.4
163.03954	0.7
163.05733	0.8
174.05443	1.3
175.03793	0.9
176.55402	0.7
177.05432	6.0
177.12787	1.0
190.05017	2.2
192.06519	0.8
203.14340	3.8
207.06407	1.0
221.05144	0.6
221.15320	7.3
275.07422	0.7
282.02701	0.7
305.08359	6.8
347.09229	0.8
365.10532	6.8
382.99689	0.7
559.23474	100.0
560.23462	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	559.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40125	1.0
59.57606	1.1
65.35162	1.3
69.22993	1.1
85.74622	1.1
86.42948	1.1
181.98737	1.3
559.51624	100.0
560.51892	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	560.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.3
64.85853	0.2
69.03353	1.2
70.06499	1.1
70.50442	0.2
72.08080	0.4
81.03322	1.9
82.50847	0.2
84.04440	0.4
85.02836	1.2
91.05418	0.7
93.99770	0.3
97.02829	1.8
98.99314	0.3
99.04419	0.4
108.09010	0.4
109.02834	4.6
116.04939	0.3
117.03351	0.4
118.06468	0.6
127.03900	2.1
128.04915	1.4
132.04369	2.2
136.97655	0.3
144.71443	0.3
145.02843	2.2
146.05994	100.0
147.04427	1.1
147.06360	2.5
162.05475	15.3
163.05812	0.6
163.21487	0.3
171.11887	0.3
174.05472	13.2
175.03851	0.4
175.05974	0.3
175.07484	0.4
177.05417	2.6
190.04967	1.6
192.06532	8.4
204.06485	0.5
207.06549	0.4
208.06017	2.9
214.19867	0.3
246.07626	0.5
264.08633	0.4
282.02866	0.6
300.08694	1.9
309.09772	0.4
318.09628	4.7
336.10815	3.1
360.71094	0.3
543.15979	1.6
559.38013	1.5
560.38434	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15715	2.1
51.21970	2.2
57.03366	2.8
60.69740	2.6
64.45820	2.5
69.03342	6.5
70.06520	24.0
72.08069	74.4
74.50700	2.6
81.03338	4.9
82.05312	2.7
84.04419	11.2
84.08051	12.9
85.02846	11.5
86.09627	4.2
97.02813	21.3
107.04944	2.9
110.07133	16.2
119.04882	4.5
121.02804	4.6
129.10217	3.5
130.06468	10.7
136.07622	3.6
141.03328	2.6
145.02821	2.8
146.05983	4.3
147.04379	10.8
157.07573	5.6
162.05444	5.8
185.53781	2.8
191.07005	3.9
201.05351	64.4
235.07481	13.7
236.06718	3.8
256.05994	42.2
263.06989	28.4
265.08621	12.8
271.10410	3.0
277.08490	4.2
280.07248	12.1
282.08688	3.5
291.06448	33.3
296.10306	6.8
298.10727	4.8
309.11142	3.2
323.09091	93.0
324.09308	4.5
394.16354	14.0
422.15881	32.8
439.18527	100.0
467.54910	3.4
560.12329	3.4
561.17816	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.3
55.75018	0.3
57.07006	0.3
61.02879	0.3
69.03347	0.6
70.06519	0.4
72.04425	0.7
81.03345	3.5
84.08112	0.4
85.02826	0.8
85.40612	0.4
89.03841	4.4
91.05411	1.9
93.05748	0.4
100.11217	0.4
107.04899	0.4
109.02827	1.5
111.95536	0.3
114.09148	0.8
117.03329	24.8
119.04897	2.0
121.06506	0.4
134.03600	1.4
135.04378	2.3
136.05170	2.1
145.02831	82.7
146.03178	2.4
146.05995	2.7
147.04402	2.0
149.05969	10.6
151.07481	1.8
162.03075	0.4
162.05495	0.8
163.03831	2.2
175.03908	0.6
177.05440	100.0
178.05801	2.3
186.05502	0.7
222.11224	35.5
223.11440	0.4
321.09549	2.0
321.13257	0.4
331.22980	0.4
339.10458	1.3
343.31311	0.4
486.15833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20710	1.1
52.43605	1.2
53.03884	1.5
56.04963	2.0
56.76966	1.4
67.67260	1.1
69.03320	1.2
70.06509	11.2
72.08064	8.9
72.14950	1.4
81.03354	1.9
84.04434	3.1
84.08070	3.1
85.02830	3.0
85.53344	1.7
86.09626	2.4
88.03919	1.6
91.05416	2.0
97.02824	6.9
105.06934	1.7
107.47830	1.4
110.07116	8.5
111.05510	1.2
119.04934	3.1
121.02852	1.7
121.19085	1.4
124.90006	1.3
129.10260	2.0
145.02893	1.9
146.06032	2.4
147.04428	10.1
156.68033	1.3
162.03688	9.1
164.06415	1.5
190.03134	1.5
197.69376	1.4
199.21356	1.3
201.05391	2.0
203.05312	2.8
211.52983	1.2
221.04175	14.8
236.06477	10.6
237.02715	1.6
245.06270	2.6
271.90338	1.6
323.09320	2.8
324.09445	2.0
347.09393	9.7
388.48950	1.4
439.18622	1.9
440.19019	1.8
443.32980	1.5
515.13409	7.9
561.17828	100.0
562.18115	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	562.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	2.1
69.03335	4.4
69.30290	0.8
83.04891	4.8
91.05411	8.8
105.35120	0.8
107.08521	5.5
109.27553	0.9
111.04363	1.7
115.70956	0.9
117.07004	1.7
119.08535	100.0
129.05444	1.2
133.06462	9.7
135.08023	1.8
151.48404	0.8
218.60379	0.9
221.79436	1.0
263.12720	3.1
397.19861	1.4
477.39240	0.9
531.27222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81475	1.3
57.07014	2.3
67.05426	1.3
67.60623	1.2
70.46951	1.2
71.08530	1.5
72.04434	27.0
72.99791	3.1
80.30814	1.1
88.02143	100.0
88.39169	1.4
89.05935	1.5
119.08508	1.5
121.10035	1.4
123.08036	1.7
144.99913	1.5
163.11179	2.9
165.04160	1.3
174.27783	1.4
204.59373	1.6
222.95546	1.2
250.12553	2.0
396.82007	1.6
400.22998	5.7
412.22977	7.6
499.87213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2433
Annotation	Geodiamolide K
Peak:m/z	Relative Intensity
50.95287	1.0
55.05466	1.4
61.37238	1.0
62.92439	1.0
63.24498	1.0
67.05409	5.4
67.05788	0.9
69.03331	5.1
69.06981	1.7
70.06517	2.0
73.02823	1.1
77.69082	1.1
79.05406	13.4
81.03325	5.9
81.06968	6.9
85.02805	2.1
86.09636	1.3
91.05404	7.0
93.06970	13.1
95.04910	1.7
95.08551	1.2
97.02811	2.5
97.06432	1.7
99.39050	1.1
105.06959	5.0
107.04907	30.4
107.08534	8.3
109.02848	1.5
116.04896	1.3
117.03310	2.1
117.06979	2.7
119.04957	1.3
121.06455	5.0
121.10115	1.9
127.03822	1.2
131.08507	1.7
133.10097	5.4
135.11649	5.7
136.06187	1.3
145.02827	7.5
146.05925	1.3
147.04364	7.1
149.13213	1.3
162.05473	100.0
163.05873	1.5
177.05447	8.7
177.12708	31.4
190.04990	10.7
208.06030	18.9
210.92015	1.4
267.09836	1.1
268.90451	1.2
292.45160	1.4
301.10703	4.6
302.10919	1.4
439.03137	1.4
505.19202	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	0.2
53.03886	0.2
55.01804	0.9
55.05443	1.3
57.03366	1.0
60.08088	0.2
64.76940	0.1
65.03886	0.3
67.05427	0.2
69.03351	3.3
71.04908	0.4
73.02821	0.9
79.05408	2.0
80.87234	0.2
81.03333	0.7
83.04906	3.9
83.08499	0.2
85.02834	1.2
86.09592	0.2
87.04338	0.2
91.05406	7.7
92.10315	0.3
92.63533	0.2
93.06979	0.7
95.04903	0.4
97.49262	0.2
99.04380	0.3
103.05400	1.0
104.06190	0.9
104.10675	1.1
105.06981	3.5
107.07863	0.2
107.08540	3.7
109.48943	0.2
111.04384	2.4
117.06972	2.2
119.08537	100.0
120.08862	1.7
123.08041	1.4
129.05420	2.3
133.06464	22.9
134.06746	0.2
135.08012	1.1
151.07532	0.4
264.59363	0.2
274.59482	0.2
279.12213	2.1
304.01529	0.2
413.19571	1.2
547.27026	2.0
564.32990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	0.4
55.05442	0.6
57.03371	0.6
64.32669	0.3
65.74127	0.3
69.03344	2.5
73.01871	0.4
73.02802	0.4
74.42237	0.3
75.16656	0.4
79.05402	2.8
79.62441	0.3
81.03368	0.6
83.04906	2.5
85.02827	0.5
89.39891	0.4
91.05412	1.8
103.05393	1.7
105.06972	7.3
107.08545	6.0
111.04408	3.1
117.06992	0.6
119.08537	23.6
123.08030	5.9
129.05426	1.7
133.06464	100.0
134.06822	0.7
135.08035	2.0
152.46123	0.4
183.38875	0.4
279.12289	5.4
395.18335	0.5
397.43332	0.4
413.19595	8.2
556.93817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1552
Annotation	Isomollupentin 2'-O-glucoside
Peak:m/z	Relative Intensity
54.81626	0.9
55.01814	5.6
57.03363	2.4
58.42775	0.9
61.02855	1.3
65.03864	0.9
69.03353	1.7
70.06509	1.3
81.03336	2.0
85.02843	6.1
91.05396	1.6
97.02814	5.0
107.04887	4.0
109.02806	1.8
110.07102	1.2
111.04372	1.7
119.04910	14.6
121.02818	53.3
145.02861	7.0
147.04373	5.6
151.03877	6.8
159.04440	1.3
162.05560	1.3
163.03836	1.4
173.06104	1.0
175.03894	2.2
179.03337	4.1
181.04930	4.5
187.03813	2.4
189.01790	8.4
191.03386	9.3
195.02856	11.7
201.05524	1.5
203.03415	15.7
205.04880	2.2
207.02852	14.0
211.03821	1.2
215.03372	6.5
217.04938	8.2
219.02896	9.4
219.06361	1.3
221.04512	8.1
227.03285	2.4
229.04933	5.8
231.06563	1.2
233.04427	6.8
235.05969	1.4
241.04964	2.3
243.02873	2.3
255.02776	2.1
257.04517	1.1
261.87738	1.3
262.41940	1.2
267.06488	2.2
268.07242	4.1
269.04523	2.0
273.03891	2.4
277.08701	1.6
279.06448	6.0
280.07080	1.7
281.08005	6.0
283.05923	11.4
285.03888	1.5
292.07220	1.3
293.08002	7.7
294.05164	26.5
295.05954	100.0
296.06577	10.3
297.07422	11.1
305.08096	1.8
307.05954	63.2
308.06668	20.2
309.07440	22.9
311.05258	1.1
313.06888	6.1
317.08090	1.4
319.05972	8.1
320.06845	8.3
321.07504	44.4
321.11298	1.4
322.08234	17.0
323.05493	1.9
323.08994	12.2
325.07004	78.0
329.08072	1.3
333.07513	25.8
334.08240	4.0
335.05444	2.4
335.08990	15.6
336.06223	3.5
337.06995	57.3
338.07062	1.4
339.08539	1.4
345.07458	4.4
346.08521	1.7
347.09134	14.0
349.06979	51.4
349.10672	2.5
350.07578	5.5
351.08536	22.4
353.06650	1.4
355.08081	6.5
357.07309	2.0
359.08978	1.7
361.06921	20.7
361.10779	1.4
363.08487	13.2
365.10165	9.1
367.08112	8.6
373.06934	7.3
373.11035	1.7
374.07553	1.2
375.08582	14.4
377.10223	2.1
379.08038	76.4
380.08359	2.1
385.07025	5.3
387.08548	6.0
389.10199	4.7
391.07904	22.4
397.09082	28.8
401.10196	1.9
403.07852	18.4
405.09488	9.3
409.09067	23.2
410.08875	1.3
415.10260	11.5
417.09634	4.1
419.11401	1.9
421.09137	11.4
425.59903	1.1
427.10236	13.8
429.09448	1.4
433.09149	19.5
439.10242	8.9
445.10965	22.6
451.10071	20.9
457.11090	22.1
463.10114	5.2
469.11154	32.3
470.10583	1.1
475.10074	6.2
481.11240	19.3
493.11118	18.3
499.12210	23.7
511.12277	21.4
512.12543	1.4
529.13348	28.3
547.14343	22.8
556.55078	1.2
565.15356	4.1
583.01208	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03370	1.4
57.06998	2.6
64.33398	1.6
64.38534	1.5
67.05434	2.3
67.86309	1.2
69.15254	1.2
71.08540	2.2
79.80411	1.3
81.06953	1.8
91.05469	2.0
138.92427	1.5
147.79729	1.6
162.69827	1.3
183.65445	1.3
199.29007	1.5
243.65445	1.5
253.10350	1.9
257.36273	1.5
282.27829	3.3
309.27728	1.7
310.31128	2.1
313.27609	1.9
521.37891	32.6
522.38672	2.6
537.37286	7.0
565.36969	100.0
566.37158	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	565.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54612	0.8
54.67445	0.9
55.05461	1.1
57.07002	11.8
57.47220	1.0
61.07624	1.3
69.06966	1.1
71.08531	4.9
81.01454	1.0
81.06960	1.5
85.10126	1.4
89.20602	1.1
90.20015	1.3
91.61264	1.0
95.08509	1.2
153.10948	1.1
156.95645	1.0
178.55385	1.0
183.07303	1.0
197.61029	1.6
205.66219	1.2
281.29391	15.1
282.27823	100.0
283.28116	5.1
299.30438	8.7
309.32584	22.3
310.30942	96.4
311.31247	5.5
327.33676	9.7
432.92953	1.1
463.43948	1.4
526.64771	1.2
565.56683	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	566.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	0.7
54.53587	0.6
55.37639	0.6
56.04964	0.8
57.03381	1.3
57.51303	0.6
67.05415	1.1
69.03362	4.2
70.06508	4.7
71.48219	0.8
71.66670	0.7
72.08074	3.4
74.23948	0.8
77.83235	0.9
81.03335	5.9
81.04090	0.9
82.89733	0.7
84.04417	1.5
84.08075	1.7
84.56782	0.8
85.02838	7.2
86.09627	1.6
86.44671	0.9
88.03882	1.0
91.05399	21.1
93.07034	0.8
93.07625	0.8
95.08532	0.9
97.02824	17.5
109.02793	3.2
110.07143	0.9
111.69094	0.9
119.04897	43.2
119.08476	0.9
121.02840	9.0
121.10038	0.8
127.03812	2.0
129.10181	1.1
130.05019	0.8
131.04926	1.2
135.04317	1.0
136.07562	1.1
145.02808	3.8
147.03210	1.6
147.04387	48.5
148.04704	1.2
149.09602	0.9
151.03896	11.1
152.04205	1.2
157.03944	1.6
162.05510	10.2
163.03905	0.8
163.05862	1.2
164.04640	0.9
175.03871	62.3
177.05412	4.3
179.07010	4.8
189.12653	1.5
204.10176	3.7
207.06497	100.0
207.13707	1.0
225.07596	1.5
246.79399	1.0
265.14371	1.0
269.36926	0.9
282.02811	1.2
294.45114	0.9
351.10736	1.3
369.11636	10.2
377.90500	0.9
452.82941	0.9
490.16791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.3
55.05447	20.4
56.04999	1.2
61.71021	1.1
64.29799	1.1
68.88772	1.0
69.03354	2.3
69.06980	6.8
70.06509	5.9
72.08063	3.1
75.45520	1.5
81.03344	5.0
81.06963	1.9
82.06499	1.5
83.08540	17.9
84.04441	2.4
84.08058	3.3
85.02834	8.4
86.09634	2.2
91.05404	7.9
96.04439	1.2
96.08046	5.5
97.02828	5.8
97.06475	1.5
98.09660	4.9
99.04361	1.7
100.07544	2.7
100.11182	100.0
103.03872	1.6
105.06969	1.3
106.02861	2.4
107.04880	1.4
109.02852	2.8
110.07074	1.7
111.04386	10.4
114.09116	11.8
117.03320	1.6
117.13872	5.2
119.04892	7.6
124.03870	10.3
126.09108	7.7
127.03883	5.5
128.07021	4.6
131.08527	1.7
135.04391	1.4
139.08658	1.7
140.07054	1.3
145.02826	5.8
146.05991	2.6
147.04384	11.4
149.06059	1.6
162.05453	14.6
172.94714	1.6
175.03905	5.6
177.05453	8.2
182.15350	22.6
195.15018	2.0
196.16946	19.1
207.06538	6.2
209.16470	17.7
210.14861	21.6
213.19579	10.0
226.19144	6.3
227.17482	1.6
228.16019	1.4
229.11334	1.6
282.02661	2.0
293.59482	1.4
322.24908	8.1
323.09122	2.7
326.27899	1.3
339.27524	5.9
341.24905	2.0
365.90039	1.3
439.36377	6.5
548.41675	11.3
549.41345	1.7
566.42670	97.0
567.42859	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	567.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14784	2.8
56.56740	3.1
56.96496	20.9
65.23715	2.8
84.95951	3.6
86.09618	5.8
98.97512	80.3
116.07023	6.2
116.98568	100.0
118.06474	7.7
124.03927	4.7
128.98550	16.3
130.06461	3.6
131.00102	3.7
134.99614	77.5
146.06013	37.1
146.99580	14.3
149.01149	3.9
153.00641	8.8
158.99605	26.9
161.01218	4.9
163.02707	3.8
170.05843	4.7
177.00650	58.3
188.07022	54.1
189.00618	4.6
189.07370	5.2
191.05876	19.2
192.34389	4.1
197.04858	4.3
203.02220	4.4
205.09686	4.7
209.06917	6.9
215.05904	38.0
217.07349	5.3
219.01781	26.8
219.05283	4.4
226.69604	3.5
229.15480	5.2
233.06917	17.9
237.02797	86.0
255.03696	4.1
257.06793	13.7
279.03711	5.1
307.06784	7.8
335.10046	12.4
363.09457	14.4
381.10590	72.9
399.11780	4.8
406.51813	4.6
567.18500	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84592	0.1
51.02280	0.1
53.03882	0.3
53.37422	0.1
55.01795	0.3
56.04945	0.1
57.03358	0.7
59.90248	0.2
60.04448	0.2
61.02839	0.9
65.03850	0.4
67.04146	0.1
67.05412	0.3
69.03345	1.8
70.06494	0.9
71.82270	0.1
71.88791	0.1
72.08045	0.2
73.02804	0.3
79.05382	0.2
80.04955	0.1
81.03358	1.1
81.03720	0.1
84.04410	0.3
84.08060	0.3
85.02345	0.3
85.02822	5.9
86.09612	0.3
87.41784	0.1
91.05408	0.3
95.03654	1.0
95.04893	14.2
96.05256	0.2
97.02825	2.5
98.97482	0.1
99.04378	0.4
104.56237	0.2
106.02857	0.7
107.03632	1.0
107.04866	0.2
109.02821	0.9
109.06480	0.3
110.05991	14.0
111.06300	0.2
119.03824	0.1
119.04830	0.2
120.04423	1.5
121.02811	0.3
122.03577	0.3
122.05979	8.9
123.04385	9.7
125.05946	0.2
127.03873	1.4
129.10201	0.2
134.02301	0.3
134.05936	0.1
134.66730	0.2
137.05963	0.3
138.05472	7.3
138.06548	0.3
141.05426	1.7
145.02765	0.3
145.04948	0.8
146.05969	0.3
147.04370	0.3
149.04718	1.9
150.01852	0.6
151.02626	5.1
162.05470	7.4
163.05748	0.4
165.04196	1.5
166.04958	100.0
167.05307	2.5
169.03687	0.2
175.03828	0.2
177.05412	0.7
184.06032	0.9
185.03543	0.1
190.04942	1.1
194.04457	13.1
195.05219	1.5
200.82581	0.2
208.06000	1.7
226.07059	10.6
227.07191	0.2
237.02750	0.3
259.09680	0.3
282.02777	0.3
295.47284	0.1
334.09271	0.2
357.10547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03868	0.4
54.33630	0.3
55.01816	0.4
56.04988	0.3
56.96493	0.8
57.03370	0.4
58.42811	0.3
61.02840	0.8
69.03352	3.4
70.06493	2.2
73.02804	0.5
73.74690	0.4
81.03362	1.1
84.04409	0.9
84.08072	0.5
85.02823	10.2
86.09580	0.7
91.05377	1.7
95.04881	0.4
97.02812	5.0
98.97424	0.4
107.04912	0.6
109.02820	0.8
109.05180	0.5
110.07132	0.9
112.19855	0.4
113.08601	0.4
117.03276	0.5
119.04805	0.5
120.04375	0.5
121.02789	0.5
122.05968	0.7
124.07537	0.4
127.03853	1.9
134.02322	0.6
135.03101	0.4
136.03848	0.6
136.07527	0.7
137.04684	8.8
145.02820	0.6
145.04938	2.0
146.84784	0.4
147.04332	0.5
149.22066	0.5
150.05460	1.4
152.03404	1.8
152.07068	0.4
154.04892	0.4
161.01172	0.5
163.02573	5.1
164.03374	1.6
165.04181	6.9
168.02846	2.8
175.03842	0.4
177.00656	0.5
177.05392	0.5
178.04944	21.2
179.05278	0.4
180.06512	44.9
181.06828	1.7
183.05257	3.8
190.04924	2.4
193.03647	14.3
207.06389	1.5
208.06003	100.0
209.06393	3.5
219.01707	0.4
226.07053	25.5
237.02809	0.9
268.04636	0.8
271.31662	0.4
354.86661	0.4
357.03900	0.5
376.07104	0.7
566.23938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96499	39.3
58.93495	0.7
69.03349	2.0
70.06500	3.5
72.08073	0.9
72.95951	12.5
74.97514	1.1
81.03319	2.9
84.04415	0.8
84.95954	4.7
85.02804	3.6
91.05396	10.7
92.10899	1.6
97.02786	4.0
98.97484	6.0
105.06947	0.7
107.04917	3.8
109.02853	1.2
110.07104	1.1
110.97617	0.8
115.97874	1.1
116.98579	4.3
119.04900	22.0
120.05208	1.0
120.08040	1.0
121.02822	4.1
128.98579	5.0
130.06487	4.8
131.00117	1.5
134.99619	3.3
136.07487	0.8
140.98546	1.4
142.89894	0.8
143.00114	4.7
146.06027	1.1
146.99583	4.3
147.04382	18.0
157.03867	1.1
158.99608	10.3
161.01215	8.1
162.05525	1.1
162.06807	0.8
164.04604	1.0
167.03784	1.5
170.02704	1.1
172.07597	0.8
175.02350	1.0
175.03859	30.3
177.00673	28.4
177.05475	1.4
179.07025	1.2
188.03723	2.7
192.03244	3.7
193.01695	0.8
195.01746	8.4
198.60078	0.8
201.00784	1.4
202.01689	1.0
203.02200	0.9
204.03255	2.9
206.04861	23.6
207.04544	1.5
207.06480	43.3
208.02634	2.7
208.06767	3.2
210.04312	1.6
214.01680	3.0
218.01157	0.9
219.01791	3.4
220.02789	14.9
222.04335	3.4
224.05850	8.7
226.03807	4.1
232.02618	1.7
237.02773	8.2
238.03812	8.3
250.03787	46.1
251.04077	1.3
252.63054	0.9
255.03822	3.8
268.04855	100.0
269.05258	1.7
286.05951	1.6
290.06894	1.4
291.06494	1.4
292.04849	11.0
294.06290	1.1
310.05981	4.6
316.04889	10.4
318.06363	1.4
334.05905	1.6
351.10767	1.2
369.11572	3.6
376.07065	8.3
380.13486	1.0
394.08002	50.1
394.55017	0.9
395.08316	1.8
412.09070	9.2
417.09860	1.2
448.08945	1.9
460.29718	1.0
508.11255	17.0
526.12103	1.8
568.13342	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	568.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	2.0
55.05486	1.3
64.33250	1.8
66.54901	1.2
69.03352	3.6
70.06509	3.2
81.03338	1.8
84.04395	1.7
84.08086	1.5
85.02833	3.9
86.09636	2.9
88.23669	1.4
91.05402	2.4
97.02847	3.0
105.06949	2.5
106.02841	1.9
107.04919	1.9
109.02841	1.8
117.03353	2.0
119.04913	2.1
124.03877	1.9
126.56228	1.6
145.02859	8.5
146.06050	3.9
147.04425	3.9
150.09164	5.7
157.45345	1.6
162.05481	9.1
167.06989	3.0
168.04222	2.5
169.04745	3.0
177.05501	7.3
178.08548	3.6
207.06602	3.0
214.04736	9.6
232.07051	9.5
256.05844	2.8
304.11942	2.1
342.09396	2.8
358.09009	11.7
568.17828	100.0
569.17725	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	568.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00226	1.0
53.03878	1.2
55.01813	2.0
55.05225	0.6
55.05453	11.5
57.03369	3.5
57.07007	1.1
57.09423	0.4
57.41344	0.4
59.04904	0.5
61.02860	4.7
62.83500	0.4
65.03875	0.9
67.05418	4.6
69.03352	42.4
69.06988	9.2
70.03692	0.5
70.06510	1.1
70.78812	0.6
71.04896	3.7
72.08076	0.7
73.02822	2.1
76.56401	0.7
79.05408	7.2
81.03333	4.1
81.06972	10.8
83.04894	2.7
83.08521	2.0
84.04428	1.0
84.08060	0.7
85.02830	46.1
85.06455	0.9
87.04399	2.0
91.03866	2.1
91.05409	25.2
92.04920	0.8
93.06980	8.5
95.04887	2.8
95.08527	10.4
97.02833	13.8
97.06437	2.2
98.05984	0.6
99.04387	2.7
103.05409	1.9
105.06978	93.5
106.07347	1.8
107.04872	1.0
107.08539	24.2
109.02839	4.6
109.06489	6.7
109.10088	3.0
110.07172	1.9
111.08021	1.3
117.06997	5.0
118.07719	0.6
119.08540	100.0
120.08879	2.2
120.88114	0.5
121.06451	2.0
121.10088	17.0
123.04351	0.5
123.08041	4.5
123.11665	9.8
125.09592	15.2
127.03885	10.0
129.06989	1.1
130.06517	0.6
131.08542	9.3
132.09283	3.1
133.10135	5.0
135.08035	9.3
135.11646	4.3
136.03935	6.7
136.07567	0.9
137.09550	0.6
137.13184	0.5
141.06609	0.5
143.08513	3.2
144.09288	1.1
145.04962	13.9
145.10103	12.5
147.04466	0.6
147.11668	78.8
148.11964	2.4
149.09581	5.4
149.13240	4.2
151.11194	1.1
153.09094	4.1
154.04971	21.3
158.10857	3.8
163.03874	1.1
163.05986	4.1
163.11113	1.1
163.14804	2.5
165.12727	34.6
167.10646	1.3
173.13225	18.6
178.04918	0.7
180.06506	0.8
191.14273	56.5
192.14569	2.8
202.28725	0.6
208.06033	2.7
209.06470	0.8
209.15338	40.4
210.15717	0.9
216.18089	0.6
224.05560	0.7
318.56024	0.6
325.11182	2.2
371.66336	0.6
444.83377	0.7
450.98151	0.6
569.14337	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11882	0.6
63.95400	0.7
64.32911	0.9
70.93458	0.7
120.25504	0.8
120.55978	0.8
131.14700	0.7
191.94792	0.9
200.71768	0.7
286.40942	0.8
405.31219	0.8
416.27792	0.9
569.22882	100.0
570.23273	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	570.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	0.8
55.05443	1.2
55.41930	0.6
56.04967	0.6
57.01018	0.6
57.03370	0.9
61.02853	3.2
67.05437	2.9
69.03343	7.9
69.06977	3.1
70.06509	5.9
71.04907	4.6
72.08064	0.8
73.02839	0.8
78.17640	0.6
79.05409	7.2
81.03326	3.6
81.06979	3.3
83.04902	3.2
84.04412	1.4
84.08050	2.7
85.02824	29.5
86.73519	0.6
87.04409	1.2
91.03884	1.1
91.05400	25.2
93.06981	4.0
95.04863	2.6
97.02806	9.6
98.97511	0.8
105.06969	21.6
107.04908	2.7
107.08514	2.6
109.02836	2.9
109.06468	3.8
110.07114	3.2
119.04803	0.7
119.08528	4.9
121.06388	0.7
121.10159	0.8
125.05945	4.6
127.03844	6.3
129.06909	1.3
129.10194	0.9
131.08528	12.2
133.10089	100.0
134.10445	1.4
136.07578	1.6
139.14751	0.7
142.07867	0.8
145.02888	1.0
145.04933	6.7
145.10068	1.4
146.06046	1.3
147.04359	1.1
147.11635	11.2
149.09627	1.0
151.07544	1.4
151.11108	5.0
152.43105	0.8
155.07042	0.9
157.10155	1.1
163.05930	0.7
165.12741	0.9
175.11162	10.6
177.05473	1.4
177.82275	0.7
193.12190	31.5
211.13264	8.6
289.67355	0.7
301.14438	0.7
337.16400	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05461	42.4
57.07001	7.1
63.00920	5.5
67.05431	93.1
69.06981	28.9
79.05408	84.2
81.06980	58.5
83.08537	11.6
89.05943	94.7
90.62778	5.9
91.05405	93.9
93.06982	78.0
95.04917	14.0
95.08530	53.8
105.06983	100.0
107.04898	6.6
107.08540	41.0
109.10114	25.3
113.42381	8.0
117.06973	32.5
119.08520	69.3
121.10088	38.1
123.07999	6.0
129.07033	10.7
131.08490	24.3
133.08565	25.1
133.10098	44.4
143.08540	8.8
145.10088	12.4
147.11676	26.5
157.10089	8.2
159.11617	9.9
159.65804	6.9
161.13309	10.1
185.13101	6.7
231.21088	6.4
241.19460	7.8
249.22133	7.3
259.20508	47.7
261.22049	8.0
277.21579	7.6
371.22733	24.1
455.53998	7.2
551.81311	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	571.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62399	1.5
53.00250	4.4
53.03886	12.0
55.01808	11.3
55.05452	52.1
57.03381	3.6
57.07007	10.3
57.27605	1.8
59.97929	1.5
67.05075	3.7
67.05428	93.3
69.03340	8.1
69.06994	57.5
71.04900	8.7
71.08561	11.0
73.06480	2.0
79.05411	78.7
81.03342	35.9
81.06977	85.0
83.04898	10.5
83.08543	14.3
85.06454	3.9
89.05972	14.8
89.92009	1.6
90.06261	2.0
91.05408	55.1
92.10202	4.1
92.63641	1.9
93.06973	100.0
95.04896	38.5
95.07975	2.9
95.08531	55.9
97.06476	13.3
97.10093	12.9
99.08003	2.6
105.04470	2.2
105.06975	56.6
107.04907	11.3
107.08544	42.3
109.06448	10.0
109.10107	24.5
112.69374	1.7
117.06974	17.5
119.08538	54.1
121.06386	2.1
121.10103	41.0
123.08006	3.3
123.11653	8.2
125.09496	2.2
129.06967	9.6
131.08534	24.8
133.08566	3.9
133.10094	37.6
135.08000	3.8
135.11652	15.6
137.09575	17.5
139.11139	10.0
143.08582	4.2
145.10094	22.3
147.11655	24.9
149.09605	1.8
149.13216	8.0
151.11165	13.7
157.10110	7.7
159.11702	11.9
161.13197	13.1
163.11172	8.0
165.12778	7.3
171.11708	8.1
173.13278	9.6
175.14748	3.9
183.11644	4.3
185.13173	8.0
197.13358	2.0
203.12779	7.6
211.14864	1.9
221.15363	2.4
222.72740	1.9
259.20477	7.6
275.17029	2.3
275.19974	47.9
276.20615	3.6
277.21579	93.0
278.21933	2.8
281.09109	2.1
293.20993	3.8
295.22632	45.6
372.22867	3.1
553.42236	7.5
571.43298	2.9
579.53210	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	573.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96491	36.1
68.85782	2.6
84.95944	25.7
85.02804	3.7
85.89915	2.5
93.56981	3.0
98.97498	72.1
102.97046	3.4
110.97510	12.3
116.07037	6.1
116.98566	79.5
128.98557	32.7
133.52087	2.7
134.99626	62.4
140.98521	3.9
143.00116	33.2
146.99615	51.7
149.01276	2.7
153.00647	5.7
158.99588	38.2
161.01172	100.0
161.99977	2.7
162.99092	6.8
165.00659	14.1
170.99623	29.2
173.01285	3.1
177.00671	59.8
179.02264	29.8
181.00122	3.9
182.99695	4.6
186.99081	4.6
189.00664	73.6
195.01733	12.1
196.05933	5.5
196.40041	2.7
201.00662	74.1
203.02266	16.2
205.00214	43.3
207.01736	17.3
219.01712	86.1
223.01208	29.9
227.02122	3.2
230.97890	3.4
231.01714	4.9
237.02711	42.1
243.01587	25.0
247.01216	3.8
248.99210	14.5
261.02795	59.7
267.00168	24.2
272.99243	2.9
279.03732	44.9
291.00092	26.2
291.03629	11.5
297.04834	3.1
309.01236	12.5
321.04852	17.8
351.05801	4.9
375.02118	5.8
381.07678	37.2
393.03320	15.7
399.08231	3.9
411.04236	17.4
417.88788	2.8
537.07281	6.1
555.08557	38.5
573.09509	78.7
574.10315	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	573.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10049	0.2
53.03901	0.3
55.05436	0.3
55.44662	0.2
67.49638	0.2
69.03339	0.5
70.06510	0.3
71.04906	0.3
81.03342	1.8
82.92231	0.2
84.04430	0.4
85.02821	1.2
91.05425	0.4
96.15683	0.2
97.02842	1.0
107.04869	0.3
109.02831	3.1
116.04925	1.2
117.06998	0.2
119.04865	0.4
127.03853	1.3
134.06000	3.1
144.04428	1.9
145.02875	0.3
146.06007	1.2
147.04411	0.9
147.09714	0.2
148.03896	1.3
162.05473	100.0
163.05821	2.2
177.05457	1.4
190.04967	9.0
194.04350	0.3
208.06033	5.9
222.07608	4.8
270.07513	0.3
316.08203	0.8
334.09222	1.3
352.10129	1.0
507.47015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83345	0.6
58.68739	0.5
69.03328	3.8
70.06493	3.9
70.38671	0.5
71.72085	0.6
72.08070	7.4
73.02804	1.0
81.03324	5.0
85.02802	2.7
86.09599	1.5
89.03809	7.1
89.10689	2.8
91.05406	8.2
92.10250	1.4
93.33633	0.7
95.04845	0.7
97.02802	4.1
98.05950	0.9
98.97497	0.7
107.04913	6.9
109.02852	4.4
115.08600	0.7
117.03326	29.9
118.79854	0.6
119.04888	22.3
121.02807	3.6
127.03895	1.1
128.04881	1.2
129.13823	0.7
130.06483	1.0
132.04420	0.7
133.02731	0.6
134.03633	1.4
135.04358	2.7
136.06149	0.6
145.02817	80.4
146.05980	97.4
147.04382	75.2
148.04720	3.1
149.05943	10.1
162.05423	6.9
174.05444	8.8
175.03848	3.4
177.05428	100.0
178.05727	1.5
179.06982	4.6
187.07477	0.7
192.06480	1.3
204.10226	0.8
207.06483	1.1
222.13452	0.7
246.07393	0.8
248.12680	4.0
264.01648	0.7
265.12662	1.0
265.15405	21.7
266.15698	0.7
282.02881	0.9
291.08652	1.2
309.09479	0.8
553.89850	0.7
573.24274	27.3
574.24377	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06495	0.3
60.48483	0.3
69.03333	1.3
70.06506	0.9
72.08066	2.7
77.81534	0.4
81.03345	1.0
84.04434	0.4
84.31013	0.3
85.02823	0.7
87.22120	0.3
89.03831	6.2
89.10730	0.4
91.05406	5.5
95.04930	0.4
97.02837	1.5
109.02820	0.8
110.07059	0.5
111.90135	0.3
117.03326	24.9
119.04891	11.9
124.03932	0.6
124.05168	0.4
130.06529	0.5
134.03639	1.6
135.04398	1.6
145.02824	78.6
146.03145	2.5
146.05988	2.4
147.04385	36.0
148.04800	0.4
149.05952	9.9
162.05467	5.8
163.03870	0.9
167.06888	0.4
177.05431	100.0
178.05760	2.8
186.05559	0.9
189.17410	0.4
190.05011	0.5
192.42871	0.4
204.02901	0.8
207.06369	0.7
218.11766	1.5
235.14400	6.4
247.14412	0.4
248.12654	1.5
261.12274	1.4
265.15445	6.8
282.02814	1.8
291.13406	0.7
411.19058	10.8
427.20694	7.2
573.23810	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	573.3034
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.00243	0.9
53.03890	0.5
55.05447	5.3
56.02411	0.3
57.03373	9.9
57.07011	47.3
58.07321	0.6
67.05074	0.5
67.05425	8.2
69.03370	0.4
69.06986	7.0
71.04893	0.6
71.08545	26.2
75.04398	0.4
79.05383	0.6
81.03340	6.6
81.06523	0.3
81.06976	9.6
81.81535	0.4
83.08531	7.7
85.02819	0.6
85.06464	0.5
85.10104	15.2
86.10411	0.4
89.05930	0.7
95.08530	16.4
96.08875	0.4
97.10107	3.3
98.98396	45.2
99.04389	0.6
99.11629	0.5
103.07511	0.8
109.02820	4.8
109.10091	6.0
111.11667	0.4
112.94086	0.4
116.99451	2.4
123.11649	2.6
127.03844	0.5
134.38927	0.4
137.13240	0.6
145.04918	0.6
155.01013	22.5
158.50214	0.3
163.05858	0.4
173.02084	2.1
178.87163	0.4
203.42107	0.3
219.67670	0.3
239.23592	2.7
243.02513	0.5
257.24655	0.5
261.03622	1.4
273.80038	0.3
274.13885	0.4
313.27304	100.0
314.27646	7.5
317.06281	3.3
335.07404	2.5
379.37814	0.4
393.23965	4.9
401.28986	2.8
537.28326	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	573.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	3.3
55.05455	55.6
55.77703	3.3
55.97847	3.2
57.07005	13.1
65.03854	3.6
67.05086	3.7
67.05427	100.0
69.03332	3.6
69.06984	31.8
71.08540	19.4
73.02824	3.2
73.81635	3.7
76.55154	3.8
79.05410	94.0
81.06969	91.5
83.04913	7.0
83.08526	22.9
86.57272	3.8
88.05025	5.8
88.07574	5.9
89.05954	3.8
91.05399	59.1
93.06976	81.2
95.04890	22.6
95.08535	58.6
96.75542	3.3
97.06467	5.2
97.10104	17.7
99.07997	6.9
103.73811	3.8
104.10646	6.9
105.06969	51.8
107.08548	52.8
109.10115	16.1
111.08009	3.6
117.06973	17.1
119.08545	38.0
121.06474	6.6
121.10081	19.2
123.11687	6.0
125.09578	6.5
129.06956	5.2
131.08537	41.6
133.10114	38.1
135.11661	21.3
143.08524	13.7
145.10103	15.6
147.11678	9.0
149.13228	4.9
151.11176	5.7
159.11647	5.8
161.13188	16.3
163.14774	4.3
173.13176	6.1
177.12727	3.9
189.11147	14.0
220.19099	4.0
261.22110	6.1
277.21506	22.5
282.41611	3.4
459.33630	5.5
516.26251	5.0
555.43774	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	573.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38264	2.1
53.03880	4.5
55.01809	4.7
55.05448	36.7
57.03357	3.5
57.07004	5.7
64.15669	2.6
67.05426	87.9
69.06985	37.2
70.06530	2.6
71.08527	12.5
79.04956	4.1
79.05405	84.4
81.06977	93.9
83.04894	11.3
83.08527	18.6
85.10090	2.9
91.05401	53.2
93.06969	100.0
95.04881	18.6
95.08530	62.2
97.06458	4.0
97.10101	5.8
105.05417	2.5
105.06971	42.8
107.08535	47.0
109.06477	4.3
109.10106	21.3
109.34200	2.7
111.07993	3.3
117.06986	10.8
119.08537	28.8
121.06386	3.2
121.10111	29.2
123.07939	3.5
123.11690	5.1
131.08519	20.9
133.10063	28.8
135.11604	18.2
137.09552	11.2
139.11137	3.8
145.10066	23.6
147.11668	19.8
149.09589	4.5
149.13228	11.5
157.10033	3.8
159.11642	6.0
161.13234	11.4
163.14816	4.7
165.12677	3.8
173.13181	4.5
187.14795	3.6
199.14870	3.2
243.21005	16.4
249.21928	3.2
261.22101	40.3
275.19940	13.1
277.21585	32.0
295.22644	14.6
537.42493	4.6
555.43469	5.2
574.40472	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	11.1
54.34952	1.9
55.01805	9.2
55.05452	40.6
55.77081	1.8
57.03373	3.0
57.07006	11.2
64.99733	1.8
67.05422	90.2
69.03358	8.0
69.06982	47.5
71.04913	4.5
71.08543	16.9
76.73969	2.1
79.05403	55.9
81.03330	39.3
81.06972	57.7
83.04903	18.8
83.08531	10.3
85.06450	4.6
91.05412	28.4
93.06973	77.5
93.31931	1.9
95.04897	35.9
95.07961	3.5
95.08529	59.3
97.06458	10.8
97.10095	10.4
99.08026	8.1
105.06957	23.8
106.04263	1.8
107.08531	33.5
109.06467	7.4
109.10098	28.4
115.04555	2.2
117.06953	2.3
118.63994	1.9
119.08533	23.5
121.10091	36.2
123.11585	2.3
129.07030	2.7
131.08525	11.8
133.10086	12.7
135.11658	17.5
137.09579	22.5
139.11156	10.4
143.08562	3.2
145.10097	4.3
147.11652	11.6
149.09578	2.2
149.13237	3.5
151.11172	21.9
157.10120	2.9
159.11638	9.1
161.13266	3.4
165.12686	2.5
175.11235	2.2
175.14804	3.7
179.14294	2.6
203.12764	3.8
221.15434	2.7
259.20547	4.2
261.22070	2.8
277.21567	100.0
278.22037	2.6
295.22635	75.6
555.43243	2.8
570.09735	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	573.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.8
54.81619	1.8
55.01796	14.3
55.05228	2.0
55.05454	39.1
57.03363	2.7
57.06999	14.7
62.50372	2.5
65.03849	2.4
67.05075	3.9
67.05427	90.5
68.05750	2.6
69.06989	26.9
70.65169	1.9
71.04897	3.1
71.08531	8.7
79.05408	90.4
81.06975	87.6
81.07449	2.9
83.04903	4.0
83.08523	16.7
85.06470	3.0
89.06012	2.2
89.35873	1.9
91.05406	45.7
93.06973	100.0
95.04910	15.0
95.08539	55.0
97.06442	5.0
97.10094	7.8
99.08000	4.7
101.32202	1.9
103.31073	2.1
105.04520	2.0
105.06976	45.6
106.07278	3.2
107.08539	47.3
109.06466	4.4
109.10117	17.4
111.08018	10.7
117.06950	15.4
118.88808	2.3
119.08536	26.7
121.10101	28.0
123.08044	2.8
129.06940	4.1
131.08540	28.2
133.10110	22.4
135.11655	21.7
137.13231	2.2
143.08572	3.7
145.10078	13.9
147.11659	14.6
149.13237	14.0
151.11140	4.5
159.11638	10.0
161.13199	10.2
163.14796	4.6
165.12714	7.7
173.13184	8.7
177.12802	2.2
241.19591	2.3
243.20959	4.1
259.20532	2.8
261.22055	18.3
277.21600	30.2
295.22577	5.1
309.92270	2.1
455.35110	4.0
464.82590	2.7
489.08658	2.2
555.43903	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	573.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	3.9
53.03880	4.9
55.01809	5.4
55.05451	57.7
57.06997	15.5
64.46582	2.6
67.05427	89.5
67.29816	2.3
69.03339	4.0
69.06985	31.6
71.08544	14.4
73.59155	2.5
79.05411	93.4
81.03353	3.1
81.06981	100.0
81.22870	2.5
83.04891	13.5
83.08546	29.4
84.63201	2.8
85.06435	4.8
85.10091	2.6
86.53080	3.2
89.05944	3.4
91.05405	55.4
92.21503	2.6
93.06439	4.9
93.06972	87.0
95.04868	17.9
95.08532	63.8
96.60002	2.9
97.06467	4.5
97.10123	21.3
99.08011	5.2
105.06979	53.7
107.08538	49.5
109.10093	20.6
111.08016	5.5
116.06143	2.6
117.07002	20.3
119.08549	36.1
121.10111	25.7
123.11636	6.0
125.09592	14.8
129.06975	5.9
131.08517	26.4
133.10086	16.8
135.07971	3.6
135.11681	14.6
143.08534	4.9
145.10097	19.8
147.11650	13.8
149.09552	3.7
149.13225	13.2
151.11143	3.9
155.08527	3.0
157.10143	3.7
159.11700	12.3
161.13213	15.3
163.11111	4.2
165.12703	5.2
169.10039	3.4
171.11664	3.5
173.13252	10.4
175.14848	4.1
187.14774	4.9
189.11180	13.6
189.16364	3.6
199.14853	3.4
213.16371	3.8
261.22067	15.3
277.21591	22.5
295.22446	3.7
387.32492	3.7
459.34521	4.9
473.35934	4.0
555.43799	12.1
573.44482	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	574.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81656	0.3
57.03387	0.4
61.02832	0.3
61.60283	0.3
65.90837	0.3
69.03352	1.5
74.02349	0.5
75.19019	0.3
75.55603	0.3
75.88910	0.3
81.03365	0.4
83.19958	0.3
85.02830	4.2
87.04407	0.3
91.05357	0.5
97.02856	1.4
109.02863	0.5
117.05723	0.5
117.06999	1.7
118.06495	24.7
127.03885	0.4
130.06523	2.8
132.04439	0.6
132.08061	7.4
134.05992	0.7
142.06494	2.7
143.07280	2.6
144.04459	0.8
144.08069	17.5
145.04959	0.4
146.05994	88.7
147.06322	1.5
159.09154	9.6
160.07547	1.4
162.05476	45.8
163.05853	0.6
168.58537	0.4
170.05989	6.4
178.26039	0.3
186.05490	0.4
188.07034	100.0
189.07295	2.0
190.04919	6.5
204.06532	1.4
205.09698	24.8
206.09984	0.4
208.06017	12.2
370.11194	5.7
472.92950	0.4
492.49466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34795	0.7
56.04977	0.9
56.96501	20.1
59.20016	0.7
60.04472	0.8
62.62990	0.6
63.80880	0.7
69.03345	3.5
70.06506	6.0
72.08067	1.6
80.75517	0.8
81.03339	1.0
84.04401	4.0
84.08042	1.8
84.95964	0.8
85.02818	3.7
85.08720	0.7
86.09624	1.5
91.05399	3.6
97.02807	3.5
98.97517	1.9
109.02834	3.4
110.07071	1.5
112.99054	1.3
116.98577	3.4
117.03305	1.1
119.04881	1.6
119.58727	0.8
124.03869	1.4
124.18719	0.9
129.10153	1.1
131.00143	3.8
134.05910	1.2
134.99641	4.3
145.02782	1.7
146.05992	4.0
147.04379	13.4
149.01190	10.4
151.03870	1.3
156.99524	0.8
162.05455	35.8
167.02309	1.5
177.00699	1.1
177.05415	4.0
178.24313	1.0
187.02824	1.3
187.47467	1.0
188.03368	3.7
190.04924	1.6
191.02223	2.1
195.03278	1.7
203.00029	1.0
208.06029	1.0
209.01259	1.5
211.02724	5.6
213.04341	13.1
221.01106	3.4
221.07916	0.9
229.03775	0.9
231.05392	1.6
238.99767	1.7
239.02217	45.1
240.02649	1.0
257.03256	100.0
258.03583	1.9
262.03757	1.9
265.03882	1.3
268.11786	1.0
275.04254	1.5
280.04709	1.7
282.02890	1.0
295.04761	5.6
301.79535	1.0
306.02692	1.2
313.05908	4.2
337.05853	29.1
355.06870	8.0
378.08310	1.1
441.08316	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	575.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07467	1.9
55.01804	4.9
55.05452	69.2
57.03353	2.8
57.07011	21.2
59.09240	1.9
67.05428	88.2
69.03329	2.3
69.06990	53.2
70.51006	2.1
71.04903	3.5
71.08544	17.5
75.75394	2.2
79.00243	2.3
79.05402	60.6
81.06970	100.0
83.04895	3.8
83.08526	34.0
85.06483	3.1
86.09625	3.6
90.65562	2.2
91.05399	38.4
93.06963	69.0
95.04885	4.7
95.08534	67.9
97.06434	3.9
97.10098	37.9
99.08006	3.3
104.10674	2.4
105.06976	54.5
107.08535	53.2
109.06403	2.4
109.10107	32.2
111.08031	3.2
111.11638	2.1
111.44505	2.2
117.06972	12.9
119.08527	63.0
121.10099	21.2
123.08033	4.1
123.11655	5.0
125.09570	19.2
129.06967	4.0
131.08505	28.1
133.10078	21.0
135.08075	2.5
135.11659	19.3
137.13228	3.1
141.06972	2.9
143.08528	5.7
145.10104	23.4
147.11659	13.4
149.13225	10.1
155.56123	2.3
157.10052	10.7
159.11673	11.6
161.13222	16.5
163.14786	8.7
171.11646	5.2
173.11781	3.1
173.13168	9.4
175.14844	19.2
177.16328	3.0
185.13203	4.1
187.13257	2.9
187.14796	9.3
189.11174	5.3
189.16359	3.5
199.14816	5.5
201.16344	4.4
203.17934	2.6
205.59502	2.4
227.17943	3.3
229.05205	2.7
231.21170	4.1
263.27267	2.5
269.22607	2.6
279.23108	5.1
291.23001	4.3
303.19733	2.7
371.33157	5.5
380.75616	2.7
387.36197	3.9
389.34079	58.1
403.35577	12.7
405.91180	2.7
425.33914	5.0
441.37192	2.8
455.33310	4.6
459.38129	2.7
461.35959	11.2
466.80124	2.7
475.37646	2.9
521.43176	9.3
539.44452	11.8
557.37964	2.7
557.45605	48.0
575.27936	14.3
575.47095	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	575.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25182	1.2
51.31618	1.4
53.03885	2.1
55.01804	7.1
55.05451	43.6
57.03372	1.7
57.07001	7.1
57.77022	1.6
67.05427	100.0
69.06983	27.8
71.04888	2.6
71.08549	16.0
79.05411	47.9
81.03316	2.4
81.06976	97.2
82.07278	1.7
83.04885	9.3
83.08541	23.9
91.05401	31.8
93.06972	49.5
95.04874	8.8
95.07963	3.2
95.08537	58.9
97.06461	6.8
97.10102	23.8
99.08020	8.3
105.06982	21.2
107.08534	32.6
109.06464	3.2
109.10122	22.9
111.08029	2.9
117.06939	8.5
119.08529	18.6
121.10103	16.3
123.08050	1.7
123.11660	7.4
125.09603	11.8
131.08510	6.5
133.10071	14.0
135.08031	2.2
135.11656	11.9
137.09587	3.0
147.11652	9.5
149.13242	7.6
151.11145	8.5
157.10048	2.6
159.11674	7.6
161.13210	9.5
165.12762	1.8
175.14720	2.1
177.12755	12.6
179.24962	1.6
180.57722	1.5
187.30984	2.2
189.11234	11.9
195.13795	5.8
199.14734	1.7
200.92641	1.6
205.42366	1.5
215.91539	1.6
263.23770	3.2
277.21524	26.8
278.21967	2.7
295.22583	3.4
356.35245	1.7
457.36563	3.6
575.40503	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	575.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	2.8
55.01822	12.9
55.05452	44.5
57.07006	10.1
67.05432	100.0
69.06995	33.2
71.08549	10.0
75.02139	2.3
75.85339	2.4
79.05412	39.1
81.06973	96.6
83.04897	6.1
83.08535	30.3
85.06470	3.4
85.10110	4.5
91.05400	28.8
93.06979	39.0
95.04916	11.4
95.08532	58.9
97.06467	10.2
97.10107	16.1
99.08033	2.8
105.06954	21.6
105.29956	2.4
107.08534	23.0
108.51472	2.4
109.06470	3.0
109.10100	17.4
111.08043	11.9
119.08532	15.9
121.10091	17.6
123.11667	9.7
125.09572	5.3
133.10100	11.0
135.11649	5.9
147.11678	12.8
149.09698	3.2
151.11134	4.8
159.11690	3.6
161.13205	4.8
165.12715	13.6
175.14868	3.0
176.79764	2.6
177.12784	4.0
189.11205	5.5
263.23639	11.2
277.21542	33.1
295.22757	22.5
575.40900	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34707	3.5
54.81269	4.3
55.01820	6.7
55.05455	43.4
57.07017	10.2
67.05426	100.0
69.06999	30.2
69.07325	5.3
71.08545	8.0
79.05402	43.3
81.06978	89.6
83.08528	19.4
85.10101	5.2
91.05394	24.3
92.58083	4.2
92.71942	4.9
93.06969	42.7
94.06494	5.0
95.08521	62.7
97.06463	4.9
105.06969	24.1
107.08548	28.2
107.54030	3.9
109.10140	19.9
111.08004	6.1
119.08530	19.8
121.10069	6.8
121.50555	4.6
123.11639	6.2
131.08531	6.2
133.10144	8.0
135.11700	4.5
135.44989	4.6
145.10097	5.9
147.11690	5.6
151.11168	5.0
161.13290	6.0
177.12700	7.4
185.13127	5.3
213.35162	5.5
277.21643	19.9
575.41199	26.0
575.49750	9.4
579.62909	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	575.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59313	0.4
52.88306	0.5
53.00249	0.6
53.03879	1.2
55.01812	3.7
55.05187	0.9
55.05450	22.1
55.13319	0.5
57.03371	0.8
57.07015	3.1
62.45954	0.6
65.03865	3.2
65.35578	0.6
67.05429	99.7
68.05757	0.8
69.03309	0.6
69.06987	24.3
71.04898	3.1
71.08547	4.5
73.57698	0.5
79.05412	24.7
80.35824	0.6
81.06976	100.0
82.07341	0.7
83.04901	4.0
83.08536	8.7
85.06454	3.3
91.05398	10.9
92.65769	0.6
93.06975	26.9
95.04896	2.8
95.08535	73.5
97.06447	4.2
97.10100	5.6
99.08031	1.3
105.06989	7.8
107.08537	17.7
109.06465	1.5
109.10102	26.3
109.13484	0.6
111.07994	1.1
117.06962	4.3
119.08556	6.3
121.10101	12.5
123.11672	9.6
125.09588	2.6
131.08549	7.8
131.27126	0.6
133.10080	4.9
135.08002	1.1
135.11655	10.1
137.09599	1.4
137.13246	5.2
139.11113	1.0
142.96870	0.6
145.10103	4.7
147.11694	4.9
149.09615	2.4
149.13242	4.1
151.14821	1.5
159.11693	3.2
161.13217	1.5
163.11183	2.6
163.14813	3.1
173.11800	1.0
173.13113	4.7
175.14798	0.7
177.16379	0.7
181.12172	0.8
187.14728	2.4
195.13899	1.0
205.15895	1.0
209.15334	2.7
223.16757	0.9
243.20993	2.6
257.32745	0.7
261.22119	5.3
279.23111	27.8
297.24240	1.1
557.45691	1.1
575.46509	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	575.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70565	4.2
53.03868	4.4
54.81623	3.9
55.01795	6.3
55.05447	39.9
57.06999	19.3
65.30377	4.3
67.05125	5.9
67.05428	96.9
69.03326	5.5
69.06983	49.9
71.08529	27.0
73.06456	5.4
74.11704	4.3
79.05398	47.1
81.03331	36.6
81.06966	89.4
83.08537	20.0
86.32298	4.3
91.05386	27.3
93.06971	54.7
95.04876	24.4
95.08534	73.0
95.60506	5.2
97.06445	5.6
97.10103	19.0
97.71275	4.9
98.26470	4.6
105.06984	8.1
107.08519	19.4
109.06441	5.9
109.10107	35.7
114.83103	4.8
119.08525	20.5
121.10081	31.2
123.11671	7.4
131.08525	6.2
133.10080	22.4
135.11658	9.9
137.09521	11.2
147.11609	8.9
148.73373	4.6
149.13226	5.2
151.11121	22.9
170.93155	5.2
183.10109	5.1
239.79071	4.7
277.21619	65.5
295.22562	100.0
299.97620	5.4
372.71246	5.1
575.40814	34.6
575.49731	44.5
592.80322	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	575.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	17.7
57.07001	6.6
61.83841	0.8
65.03844	1.7
67.05433	96.3
69.06990	15.8
71.04914	1.4
71.08553	14.0
79.05024	1.3
79.05413	23.5
81.06982	100.0
83.08548	10.4
85.06473	1.8
85.10109	2.2
91.05414	12.7
92.10301	2.2
93.06974	28.1
95.04890	1.1
95.08538	70.2
97.06462	4.7
97.10074	4.3
97.77521	1.0
99.08021	10.5
105.06984	9.1
107.08561	13.7
109.10113	19.0
111.08020	1.3
113.09631	3.6
115.28176	1.1
117.06997	1.3
119.08530	7.3
121.10116	11.1
123.11660	10.0
125.09617	1.1
131.08516	6.4
133.10083	5.7
135.11664	7.2
137.13246	7.6
145.10112	2.6
147.11674	8.9
149.13246	4.6
151.14835	1.7
153.12724	1.5
159.11652	2.4
161.13219	1.7
163.11229	1.1
163.14790	3.9
165.12704	2.2
173.13235	5.0
181.12157	1.6
187.14893	1.4
190.00160	1.3
195.13765	1.4
201.98631	1.0
209.15306	2.3
223.17018	1.8
243.21036	2.0
253.69612	1.1
261.22034	4.0
279.23135	44.3
280.23364	1.8
297.24030	1.5
407.91977	1.1
425.13913	1.3
557.44763	1.6
575.46448	15.8
596.94055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02324	0.3
51.54666	0.2
51.79363	0.2
53.03885	0.3
53.14309	0.2
57.03362	0.2
58.12371	0.2
61.43410	0.2
65.03858	1.8
67.05415	0.3
69.03349	1.4
70.06503	0.5
75.16631	0.2
76.03075	0.3
77.03828	1.2
81.03344	4.7
84.04425	0.5
85.02821	2.1
86.09625	0.4
89.03828	1.0
91.05405	40.2
92.05712	0.4
92.10837	0.3
95.04901	0.5
97.02839	0.8
99.04389	0.3
103.05424	0.5
105.03379	0.4
107.04890	1.6
108.05674	0.4
109.02818	1.3
111.04382	0.5
117.03311	1.0
118.04192	0.3
119.04894	67.0
120.05225	1.1
121.02900	0.3
122.03600	0.3
123.11844	0.2
125.29110	0.3
127.03814	0.3
129.03333	1.3
131.04875	1.0
132.02014	3.0
133.02817	0.4
134.05960	0.3
135.04384	1.0
136.05156	1.1
145.02838	2.9
146.03548	0.3
146.05978	1.2
147.04385	58.1
148.04700	1.7
149.02306	1.9
149.05956	0.2
150.05479	0.5
151.03905	0.9
153.66096	0.2
157.03952	4.9
160.01549	0.2
162.04114	0.5
162.05463	15.1
163.03900	0.5
163.05894	0.3
164.04642	2.0
175.03868	83.0
176.04182	2.6
177.05423	2.6
179.06987	5.8
190.04990	1.6
192.04076	1.0
207.06491	100.0
208.06635	2.3
209.09621	0.4
230.84668	0.2
269.11667	0.6
299.24298	0.3
319.19238	0.3
327.52866	0.3
339.11069	0.2
351.10596	1.6
360.94577	0.3
369.11679	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	576.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96749	0.2
51.02313	0.2
52.46624	0.1
53.00243	0.2
53.03880	0.2
55.01795	0.3
57.03379	0.3
63.65781	0.1
65.03861	1.3
66.00668	0.2
69.03340	1.4
69.87312	0.1
70.06514	0.6
73.27144	0.2
73.89483	0.2
77.03837	1.1
79.05425	0.2
81.03333	4.6
84.04392	0.2
85.02831	1.8
89.03837	1.2
91.05401	37.5
91.55106	0.2
92.05739	0.6
95.04887	0.3
97.02837	0.6
99.04372	0.3
100.11204	0.2
101.03613	0.2
103.05396	0.9
105.03328	0.8
105.06967	0.2
106.02788	0.2
106.06451	0.2
107.04866	0.3
108.05681	0.2
109.02843	1.4
111.04377	0.2
117.03327	0.3
118.04103	0.9
119.04890	61.4
120.05229	1.3
121.02936	0.3
122.03622	0.3
124.03902	0.7
127.03876	0.3
129.03308	1.0
131.04875	0.3
132.02034	1.9
133.02759	0.6
134.05997	0.7
135.04369	0.8
136.05174	0.8
144.04404	0.3
145.02876	1.6
146.05966	1.1
147.04381	54.9
148.04724	1.3
149.02319	2.0
150.03151	0.3
157.03944	4.6
160.01552	0.3
162.03249	0.6
162.05460	19.0
163.03816	0.3
163.05814	0.7
164.04636	2.5
164.05930	0.3
175.03860	76.8
176.04185	2.0
177.05420	0.4
178.02496	0.2
179.07004	4.6
190.04976	1.9
192.04152	0.9
193.04732	0.2
207.06483	100.0
208.06546	3.2
351.10648	3.1
352.10760	0.3
369.11740	2.6
575.67511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15662	0.1
53.03878	0.1
63.14879	0.1
69.03354	0.9
70.06509	0.3
72.08073	2.0
73.02834	0.2
81.03345	1.8
85.02812	0.8
86.09631	0.2
89.03831	0.1
89.22759	0.1
91.05400	0.8
92.04934	0.2
92.10914	0.3
93.06964	0.5
95.04856	0.2
97.02818	1.4
98.05923	0.1
99.04364	0.4
103.05340	0.2
107.04840	0.2
109.02826	3.8
110.07096	0.2
116.04935	0.9
117.03340	0.2
118.84363	0.1
119.04867	1.1
121.06452	2.0
123.86740	0.1
124.03905	0.5
127.03886	1.2
130.06502	0.2
134.05980	2.7
137.05948	0.5
144.04401	1.6
145.02847	1.1
145.04893	0.2
146.05983	0.6
147.04362	1.0
148.03873	0.9
150.05461	0.2
162.05469	100.0
163.05840	3.0
174.05463	0.1
175.03871	0.5
177.05434	1.1
178.05783	0.2
190.04944	8.8
191.05298	0.6
201.05376	1.1
204.06601	0.2
207.06471	1.1
208.06013	7.3
234.07095	0.1
235.07462	0.2
237.08949	0.2
245.01698	0.1
250.06134	0.1
256.06006	0.6
262.06989	0.7
263.07004	0.2
265.08521	0.6
270.07489	0.6
280.07800	0.3
282.08804	0.4
291.06439	0.5
296.10336	0.1
297.11209	0.5
298.06787	0.2
308.06830	0.2
316.08221	1.2
323.09018	1.9
334.09146	4.2
352.10199	2.3
414.10651	0.1
422.15710	0.5
439.18552	2.1
441.78012	0.1
460.17343	0.3
488.16663	0.7
559.15417	1.0
576.27246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90886	0.7
56.96502	10.0
57.07005	1.9
58.07353	0.8
67.05419	1.8
69.06973	1.1
71.08527	0.8
81.06984	1.9
85.10092	1.6
87.35050	0.7
90.48163	1.0
92.64173	0.8
95.04853	0.8
95.08546	1.4
95.68474	0.7
100.63211	0.8
102.92530	3.4
113.06234	0.8
114.37241	0.9
128.98494	0.8
136.93086	2.0
146.99742	1.1
147.36378	0.8
154.94139	14.6
172.95195	71.1
179.97238	1.4
190.96251	58.4
195.96750	1.9
197.08627	0.8
197.98351	17.1
208.97240	1.1
210.96770	11.1
215.99440	21.3
228.95659	1.8
228.97816	35.5
230.99408	1.6
246.98819	7.1
278.18356	0.9
314.27609	1.6
319.19348	10.1
335.18939	1.3
337.20453	32.3
338.20926	1.5
355.21451	1.8
399.15829	4.1
455.18533	10.0
473.19690	100.0
474.19928	7.5
496.21167	4.5
516.23871	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91441	0.5
53.81017	0.4
56.96499	4.7
81.06985	0.6
83.63580	0.5
92.11009	1.1
102.92557	2.1
122.95445	0.5
128.06984	0.5
136.93011	1.5
149.01234	0.6
149.02339	2.9
154.94130	10.2
163.54999	0.5
172.95186	53.9
190.96230	44.4
192.95598	0.9
195.96759	2.1
197.98349	6.5
208.97301	1.0
209.60832	0.5
210.96756	10.2
212.98288	0.7
213.97806	1.2
215.99342	6.9
216.97859	0.6
228.97789	32.1
230.99324	1.0
246.98792	6.1
251.99437	2.0
319.19400	6.2
335.18921	2.1
337.20413	25.5
355.21695	0.8
360.22186	0.9
399.16110	1.9
417.17368	1.7
455.18427	12.3
473.19641	100.0
474.19901	4.1
487.20471	0.6
496.21460	3.8
516.23969	4.8
577.13245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	16.8
55.05450	17.8
55.39710	1.6
56.04969	2.3
56.53378	1.5
57.07014	12.0
60.78580	1.7
66.96992	1.8
67.05432	32.0
67.75811	2.0
69.06980	8.7
70.02869	3.3
70.06507	4.5
71.04906	23.2
71.08538	1.9
71.76808	1.9
77.92042	1.8
79.05408	14.5
80.04919	3.7
81.06969	23.4
83.04882	3.0
83.08551	10.1
91.05418	4.0
93.06973	8.2
94.06483	2.2
95.08554	14.6
96.08073	9.8
97.10090	16.9
98.09629	30.3
105.06973	2.0
106.06528	1.7
107.08547	4.0
108.08083	8.5
109.10120	4.0
119.08561	4.0
120.08051	7.0
122.05994	23.3
124.07570	16.5
125.09602	7.1
131.08560	2.2
136.07547	30.5
140.07025	18.4
148.07549	17.2
149.08345	12.7
160.07593	2.4
162.09097	2.7
184.75974	2.0
232.16887	13.2
250.18010	28.9
260.16354	42.7
268.19159	3.2
278.17441	24.0
296.18491	48.1
546.75757	2.0
558.41473	100.0
559.41425	9.8
575.48975	4.5
576.50067	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	577.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81620	0.5
56.96481	0.8
57.07017	0.7
65.03867	6.5
67.05409	0.8
69.06984	0.8
79.05402	0.6
81.06966	2.1
95.08527	1.1
102.92521	0.8
103.21690	0.6
114.37222	0.5
120.96914	0.5
121.02821	5.1
128.07039	0.6
139.03893	5.4
147.04393	0.8
149.02319	100.0
149.03410	7.1
150.02631	1.0
154.94144	2.8
159.61090	0.5
172.95207	11.3
175.03860	0.9
186.96729	0.8
190.96234	9.6
191.07048	0.7
191.66441	0.5
193.04922	44.9
204.97842	1.1
210.96716	0.9
215.99370	2.1
219.06560	1.1
228.97791	5.9
246.98962	0.7
269.04581	0.5
273.96991	0.7
297.03946	1.3
313.07077	0.9
319.19348	0.7
337.20490	3.3
338.20752	0.7
341.06537	3.1
359.07645	0.9
385.08997	5.7
401.53049	0.5
407.78531	0.5
455.18491	1.1
456.19278	0.9
473.19690	12.9
474.19867	7.2
487.21243	0.7
504.45691	0.7
536.20685	0.5
577.13239	36.9
577.51685	1.1
578.13507	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	577.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.3
55.01810	0.2
55.05443	0.2
58.03112	0.1
63.02286	0.3
65.03851	0.9
67.05415	0.6
69.03336	1.0
69.83877	0.1
70.06195	0.1
70.06513	1.5
72.08070	5.2
73.02805	0.2
78.04617	0.2
79.05412	0.2
81.03338	2.9
84.04443	0.2
84.08060	0.4
85.02824	1.3
86.09615	0.4
89.03839	7.0
89.04386	0.3
89.10710	2.0
91.05394	0.7
95.04901	0.6
97.02834	1.1
98.05989	0.7
103.05368	0.3
104.00439	0.2
106.04157	0.3
107.04865	0.2
108.02000	0.2
109.02834	1.4
110.03711	0.2
111.04376	1.8
115.08639	0.7
117.03326	31.1
118.03661	0.3
119.04888	0.6
121.02808	0.2
121.06468	0.2
122.03371	0.2
124.05175	0.2
124.13674	0.1
125.05952	1.1
127.03866	0.6
134.03584	2.0
135.04388	2.6
139.93367	0.1
141.05441	1.6
144.04286	0.1
145.02821	85.9
146.03166	2.1
146.05998	0.3
147.04370	0.8
149.04939	0.2
149.05951	10.3
151.03880	46.5
151.04916	2.6
152.04227	0.7
162.03146	0.4
162.05484	1.4
163.03870	3.1
163.05174	0.2
163.05853	0.3
169.04944	2.7
171.53595	0.1
177.05432	100.0
178.05786	1.8
181.73387	0.1
186.05438	1.4
246.11238	0.3
248.12794	3.7
265.15399	22.9
266.15610	0.3
282.02747	0.3
295.08051	2.2
307.16360	0.2
313.09058	2.2
403.68530	0.2
407.01801	0.2
449.72040	0.2
523.20758	0.3
543.27533	0.2
560.21588	0.2
577.23810	7.7
577.32367	0.3
578.24084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	27.1
58.99526	15.4
61.50728	5.3
67.05424	83.1
67.28152	7.1
69.06986	7.8
71.04908	6.7
71.08545	8.0
76.02142	41.9
76.03558	6.0
76.78673	5.7
79.05413	14.3
80.06567	5.3
81.03337	15.0
81.06979	45.6
83.04910	8.4
83.08556	16.0
84.04427	100.0
85.02825	12.1
86.36012	6.3
86.98939	10.8
91.05410	32.1
91.21551	6.1
93.06962	14.5
95.04877	10.2
95.08539	39.3
97.10065	10.0
98.05981	7.0
99.07979	7.6
105.00037	12.0
105.06964	9.2
107.04927	8.7
107.08542	9.2
109.10132	62.6
113.00529	10.4
114.81673	6.3
117.03352	8.2
119.04891	10.9
119.08550	8.4
122.02702	71.2
123.07951	7.8
125.09616	10.9
126.03706	28.6
130.04970	10.2
141.61772	6.9
142.03175	9.5
145.02821	24.1
172.04301	8.3
173.11714	15.4
177.05437	31.9
182.10033	13.2
188.03737	6.9
221.80823	6.8
228.10524	88.6
233.05743	7.4
234.93056	7.5
251.06863	14.3
291.19559	26.3
305.15479	6.8
412.21442	55.9
430.22501	72.5
448.23514	10.2
541.25665	24.2
559.26923	8.2
577.27985	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92168	5.3
53.03894	6.6
53.91218	6.0
54.82041	5.0
55.01819	6.2
55.05450	82.2
57.07008	42.1
59.04919	34.5
67.05428	97.9
69.06981	64.1
71.08538	24.8
79.05407	60.3
81.06969	100.0
83.04917	10.0
83.08537	48.0
91.05398	30.2
93.06969	41.1
95.08529	69.5
97.06443	7.1
97.10098	54.9
99.08022	9.0
105.06989	13.2
107.08512	33.1
109.10094	39.5
119.08546	10.6
121.10113	25.4
123.08112	6.1
125.09570	11.1
133.10150	19.3
133.63051	6.3
135.11682	14.1
149.13271	8.0
151.11157	8.4
177.12691	13.6
181.22354	6.1
189.11166	11.9
247.24040	6.4
265.25089	10.4
277.21503	39.6
304.41428	5.7
353.86005	6.4
577.37207	8.4
577.51575	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	577.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79189	4.2
53.00255	4.0
55.01807	18.1
55.05228	5.4
55.05453	91.7
55.84989	3.2
57.07006	23.6
58.12560	3.4
58.69598	3.8
59.04934	3.5
67.05426	88.9
69.03347	4.2
69.06983	69.8
71.08545	10.5
79.05404	59.9
81.03333	6.0
81.06975	100.0
82.07309	3.8
83.04908	9.3
83.08535	70.3
85.10089	9.0
91.05392	41.4
91.81859	4.1
93.06958	68.8
94.06471	5.6
95.04886	8.1
95.08529	74.9
97.06447	9.5
97.10103	57.9
99.07986	5.7
100.99957	4.2
105.06956	22.0
107.08525	27.6
109.04084	4.1
109.06438	5.6
109.10089	27.4
111.07996	9.9
111.11691	5.0
112.00611	4.6
113.09557	4.3
119.08533	8.8
121.10081	25.8
123.11652	8.5
125.09566	23.9
125.68434	4.2
133.10077	17.0
135.11676	16.6
147.11685	8.9
149.13258	8.0
161.13071	5.2
165.12665	5.4
189.11189	18.0
196.17657	4.0
262.25131	15.3
263.25516	6.9
265.25214	5.5
277.21414	37.6
295.22778	29.2
353.92993	5.2
437.68631	4.4
551.44324	4.3
577.51563	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	579.1711
Annotation	Isovitexin 6'-O-rhamnoside
Peak:m/z	Relative Intensity
55.01814	7.3
69.03352	59.1
70.06512	14.4
71.04901	3.2
72.08041	4.2
75.46535	2.9
76.85447	2.9
80.09022	2.5
81.03330	12.0
83.40140	2.9
85.02860	4.6
89.03851	3.4
91.05404	12.0
97.02823	4.8
105.06979	4.5
107.04876	6.3
109.02845	6.5
117.03326	5.0
119.04895	12.6
124.03935	15.8
135.04372	5.4
137.02307	7.7
145.02826	13.8
146.05992	53.6
147.04401	25.5
147.06328	15.7
149.05968	16.4
150.05516	6.5
151.03885	61.3
162.05482	39.4
163.03877	18.9
174.05460	3.7
175.03847	12.9
177.01813	4.3
177.05423	18.8
187.03886	3.3
189.01808	4.1
195.02853	5.4
203.03369	14.3
207.02888	14.4
217.04852	5.0
219.02866	12.5
221.04411	12.2
231.02722	4.8
231.06401	3.7
233.04405	4.8
245.04483	3.3
271.05920	28.6
294.01871	3.5
295.05969	4.7
308.06766	4.9
310.04581	13.8
310.07932	4.0
312.06146	4.9
313.07053	5.8
321.07349	5.1
322.04822	9.4
322.08099	6.0
324.06271	26.7
325.07031	53.2
326.07474	6.8
327.08508	13.6
331.08118	6.2
336.06317	23.9
337.06903	53.4
338.07761	30.1
339.08484	19.7
340.05420	4.1
347.08838	4.9
348.05908	6.0
349.06976	6.7
350.07715	16.8
351.08615	54.7
352.05499	7.4
352.09399	7.0
353.05984	3.5
353.10150	5.9
355.08026	55.5
362.07611	6.9
363.08527	27.4
364.09393	4.2
365.10049	20.1
366.07227	7.1
367.08102	53.8
374.07855	5.8
375.08536	5.0
377.10123	5.5
379.08118	52.3
381.09637	24.2
385.09018	4.6
389.10193	5.1
391.07974	19.6
393.09494	30.7
397.08990	15.3
400.08542	4.0
402.07437	3.8
403.07788	11.8
403.18967	3.9
405.09412	29.2
407.11594	4.8
409.09177	52.7
417.09460	21.6
421.09167	33.3
423.10547	19.4
433.08850	6.0
435.10791	30.7
439.10168	33.1
441.11710	12.6
447.10934	3.5
453.11667	21.0
457.11340	25.6
459.10852	4.3
461.12463	5.7
463.10043	14.6
471.12402	15.2
475.12329	5.0
477.11761	7.4
481.10925	20.0
489.11316	26.0
495.12396	11.7
499.12292	39.7
504.92755	4.1
507.12756	32.6
513.13788	27.3
525.13867	100.0
526.13708	6.0
543.14899	98.2
544.15460	4.1
561.07806	4.3
561.15741	30.9
562.16168	5.1
579.17102	14.0
579.36023	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	579.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.3
55.05216	1.0
55.05450	14.7
57.03373	9.3
57.07000	1.8
57.49519	0.7
65.03867	1.3
67.05426	50.3
67.05787	1.8
69.06983	10.7
72.77800	0.7
79.05402	13.5
81.03336	11.5
81.06973	49.4
81.07453	1.6
83.08530	5.6
85.02813	1.1
91.05404	11.5
92.10971	1.8
93.06971	14.3
95.04896	1.2
95.08533	38.6
96.08803	0.7
97.06429	1.5
97.10088	3.3
98.98394	100.0
99.07999	1.4
105.06979	6.2
107.08537	10.0
109.02831	4.4
109.10097	16.3
111.08008	0.8
116.99467	4.2
119.08567	5.4
121.10088	5.8
123.11661	3.7
125.09554	0.8
125.51001	0.7
133.10103	3.8
135.11636	2.8
136.19008	0.8
137.13240	1.6
140.44548	0.7
147.11668	1.5
149.13239	1.8
151.14844	1.0
155.01012	59.7
158.84198	0.8
161.13239	2.7
163.14856	1.5
175.14787	1.3
203.17999	0.8
245.22522	6.6
263.23569	11.7
264.36896	0.8
317.06281	5.3
337.27286	30.5
338.27502	1.4
350.25037	0.8
425.28998	1.8
500.62427	0.8
561.28571	1.7
584.66962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94298	1.6
53.03895	1.7
54.44096	1.5
55.01809	1.7
55.05441	10.8
56.04962	1.9
57.07006	2.5
65.03854	1.9
67.05424	30.2
69.03356	2.4
69.06973	7.9
70.06494	2.7
71.04910	2.6
71.08533	10.9
72.08076	2.8
74.00588	2.4
76.02130	2.5
79.05402	10.6
81.03352	21.2
81.03758	2.5
81.06971	16.0
83.04896	12.3
83.08539	4.2
84.04427	28.7
84.41923	1.8
85.02866	1.9
85.06461	2.2
91.05414	12.6
93.06967	8.3
95.04900	23.7
95.08530	11.2
97.10089	4.0
98.05968	8.4
99.07990	3.5
105.06960	7.3
107.08532	2.8
109.10120	20.1
115.08607	3.0
117.03307	7.9
119.08546	7.5
121.10102	2.3
122.02647	14.3
129.06610	2.4
130.04977	9.5
131.08540	7.0
133.10048	3.1
137.09573	2.7
139.11162	16.6
145.02800	26.0
146.05991	4.3
147.04399	3.1
149.05989	3.7
149.09610	2.3
151.11159	100.0
152.11606	1.6
155.10632	2.1
157.10063	2.2
159.11635	2.8
161.09610	2.1
162.05498	3.4
163.11284	2.6
165.12717	2.1
173.11775	13.0
173.18611	1.8
175.68575	1.7
177.05444	29.3
177.12724	12.3
188.03754	2.1
199.07004	1.8
214.76942	2.2
226.95392	2.1
249.05418	3.7
251.06873	37.7
252.07210	1.9
275.19992	8.2
293.21042	83.7
294.21445	2.9
311.21655	2.5
432.24023	2.7
469.85388	1.9
561.27924	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	96.0
57.07019	56.5
63.80793	4.0
67.05424	69.8
69.06989	95.6
71.08559	32.9
71.08865	3.5
71.29713	3.6
79.05403	31.7
81.06973	100.0
83.04883	4.9
83.08549	64.3
85.10106	6.9
86.09650	6.9
91.05405	24.6
93.06998	24.1
95.08528	90.4
97.06458	5.9
97.10108	43.6
104.10703	5.6
105.06964	22.3
107.08554	8.8
109.10112	37.9
111.08024	9.9
111.11693	10.4
119.08559	32.0
121.10103	22.7
123.11694	16.7
133.10091	17.9
135.11702	5.4
147.11684	8.9
149.13249	5.6
161.13252	9.0
175.14812	5.4
179.14307	4.6
202.36273	4.8
228.78143	4.8
245.22589	6.9
263.23550	8.2
281.24655	8.6
299.25696	18.8
336.98694	4.8
579.49634	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	13.9
55.05433	2.9
56.81371	3.0
57.03356	5.9
58.99506	4.5
59.23630	3.1
59.42735	2.5
61.02865	2.7
67.06676	2.7
69.01196	2.7
69.03350	7.1
70.06505	25.3
72.08064	11.9
73.25925	2.6
76.02144	41.7
76.56189	3.1
81.03314	15.4
84.04424	7.3
84.08072	4.2
85.02800	16.3
86.09598	4.8
91.05391	13.5
97.02817	21.0
105.06957	6.4
107.04889	6.7
109.02880	3.6
110.07135	7.9
115.05418	12.1
116.01581	13.2
117.03275	3.5
118.65752	3.1
119.04889	7.8
120.08067	2.9
121.02760	6.2
124.03878	3.8
127.03872	4.1
133.06409	11.7
133.72136	3.1
135.04378	13.6
136.07573	3.9
137.02313	52.1
137.05910	5.1
144.01123	5.2
145.06422	6.6
146.05971	47.3
147.04385	22.2
147.06331	6.0
147.11610	2.7
154.23531	3.0
157.17462	3.4
159.04375	6.6
161.02322	6.6
161.05888	12.9
162.02098	7.1
162.05502	5.9
163.03862	5.4
167.06982	21.2
175.03941	4.9
175.07451	5.0
177.05421	15.6
179.03395	3.4
179.04764	11.2
180.08606	3.2
181.04958	4.2
187.07414	4.2
189.01781	11.9
190.06322	4.3
191.03407	7.1
195.02856	12.9
196.09773	5.5
203.03349	15.7
207.02879	16.5
207.06404	3.8
217.04912	5.7
217.08501	4.9
221.04478	11.6
231.06453	3.7
233.04384	6.0
242.10110	6.0
277.08606	3.3
282.02643	4.4
283.05798	3.9
284.06656	3.6
295.05756	4.7
299.05362	7.3
299.31564	3.4
310.04587	23.7
311.05429	100.0
312.05972	15.8
313.06943	7.0
323.05408	58.7
324.06195	25.6
325.06894	20.7
335.05307	4.4
336.05997	5.8
337.07016	50.8
338.07578	17.6
339.08502	4.2
341.06473	78.6
342.06586	4.2
349.06903	22.3
351.08502	13.0
352.05682	4.4
353.06415	67.3
363.08496	14.6
365.06461	52.9
367.08121	29.6
371.07300	4.8
377.06458	30.1
379.07950	14.8
381.09589	4.8
383.07162	7.4
391.08084	6.6
395.07504	85.0
401.06384	4.2
403.08008	3.9
405.09622	5.8
407.07449	23.1
413.08649	28.6
419.07407	19.3
421.09033	5.0
425.08524	22.7
431.09293	5.9
437.08472	14.4
443.09100	16.2
449.08405	13.5
455.09613	7.2
461.10675	26.9
467.09305	19.2
473.10513	31.5
485.10657	30.3
486.10449	3.4
491.09268	4.3
497.10568	23.1
509.10779	23.4
515.11707	29.6
527.11981	27.8
545.12604	46.6
563.13715	38.2
581.15240	5.7
581.23718	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	581.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.5
53.94816	1.2
64.79710	1.3
65.03862	5.1
67.05413	1.3
72.17351	1.1
74.14356	1.0
75.04375	1.9
78.04623	1.8
79.05423	2.8
81.03324	1.4
89.03870	2.0
91.05411	40.1
93.03323	3.3
93.06973	2.7
95.04887	5.3
103.05396	6.5
105.06969	3.0
106.04120	24.1
117.06961	1.7
119.04893	61.9
119.08511	2.2
120.05283	1.7
121.06456	23.0
121.34008	1.2
125.05939	7.2
134.03558	1.6
135.08009	2.5
137.05940	2.8
145.02876	2.6
147.04391	100.0
148.04813	2.8
149.05983	28.5
151.07513	2.0
153.09070	3.0
163.07513	2.1
165.09065	5.9
167.07045	5.1
176.63652	1.4
177.05458	16.3
179.06982	3.2
181.04916	5.2
181.08539	10.2
191.07088	1.7
192.07796	1.3
204.98358	1.3
207.06537	2.4
207.10182	1.9
209.08052	23.5
246.65059	1.3
284.77924	1.4
341.00159	1.3
375.29749	1.5
385.12595	2.7
417.15469	10.4
421.20624	1.8
528.98029	1.5
548.43439	1.6
567.44110	1.5
592.94043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.6
54.81586	0.3
55.01807	0.7
56.96486	0.5
57.03368	0.7
59.65124	0.3
60.05999	0.4
61.02841	2.1
65.03866	1.7
67.05409	0.8
69.03355	4.7
70.06497	2.2
71.04909	0.5
72.05871	0.4
72.19960	0.3
73.92621	0.4
80.04910	1.4
81.03329	2.3
81.05700	0.5
82.04087	0.4
84.04426	0.4
85.02353	0.7
85.02830	14.8
87.04362	0.6
92.04930	0.9
92.10287	0.5
95.01246	0.6
95.04873	0.8
97.02818	6.2
97.06456	0.4
98.05981	0.4
99.04354	0.4
107.03621	1.6
108.04401	1.9
109.02860	2.7
109.05204	0.9
110.03609	6.4
110.05981	0.6
110.07091	2.0
111.04395	0.9
120.04443	0.5
122.02319	0.6
122.06005	0.8
123.04384	7.1
125.04683	2.7
125.05945	8.3
127.03895	3.0
134.02313	0.6
136.03929	6.2
137.04698	28.6
140.06978	0.5
145.04933	1.9
146.05959	0.4
147.04358	0.8
148.03929	0.7
150.01871	0.7
150.05501	0.8
151.02620	0.9
152.07037	2.9
153.04179	4.4
153.05447	12.3
154.04903	0.4
163.02533	0.5
163.05907	0.5
164.03397	5.9
165.04239	3.3
166.01323	10.7
168.06494	3.3
177.05519	0.9
179.05728	15.8
180.02870	4.5
181.03664	26.3
182.04298	0.7
192.02876	0.5
194.93158	0.4
195.05286	1.4
196.06023	63.5
197.06401	1.6
207.05125	0.9
224.05502	100.0
225.06067	4.2
229.48546	0.4
237.02766	0.5
242.06546	35.0
243.06857	0.6
430.25916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97147	0.4
54.81488	0.6
56.26463	0.5
61.34311	0.5
62.60823	0.5
70.06538	0.7
72.08071	15.4
73.97372	0.5
80.38931	0.6
81.06971	0.8
91.05408	21.3
94.81215	0.7
98.42104	0.5
107.52647	0.6
108.06914	0.6
119.01773	0.6
119.04901	42.0
119.05757	1.4
120.05210	0.9
126.70791	0.6
146.06013	0.7
147.04388	100.0
148.04738	2.9
177.05388	0.7
183.37086	0.7
253.02704	0.6
291.06479	0.9
306.05112	4.3
316.05945	1.2
318.05179	2.6
321.07437	1.1
336.06396	1.1
345.66498	0.6
346.06775	1.1
348.08740	0.8
349.06876	3.9
362.06677	0.8
366.09512	1.1
367.08060	1.0
378.09622	30.7
379.09933	1.0
420.14331	14.4
437.16980	45.1
438.17212	3.8
463.14636	3.2
583.20221	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	583.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	0.2
54.55156	0.1
55.05438	0.1
57.07012	5.9
57.07289	0.3
58.06523	0.2
62.06002	0.2
64.32841	0.2
66.51982	0.1
67.96800	0.1
70.06509	9.4
71.08546	3.0
75.65337	0.1
81.43456	0.1
85.10090	0.8
86.05989	0.2
88.07555	15.5
102.08472	0.2
102.09113	3.9
106.07897	0.3
106.08610	8.4
212.23759	0.2
230.24712	0.6
256.26285	5.9
274.27347	100.0
275.27682	4.0
351.20361	0.1
444.21194	0.2
450.95181	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	584.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83399	2.2
55.01802	5.7
61.01075	2.3
62.10533	2.2
64.03017	2.7
70.06530	2.8
71.06029	19.8
72.04432	6.3
74.00538	3.9
76.02144	3.8
77.00529	22.4
78.03690	12.0
84.04425	19.0
85.03944	11.9
86.00588	3.1
86.06017	9.1
92.01604	5.1
92.98251	5.6
99.05497	6.3
102.03694	12.0
109.07548	5.0
113.03428	6.2
113.05939	4.5
116.98550	3.4
118.03191	49.9
119.73109	2.7
124.07543	3.4
130.03175	19.4
130.04971	15.7
131.04474	30.8
131.06329	4.4
132.04761	2.6
139.03217	4.2
142.08640	5.3
143.55550	2.7
147.04723	4.3
147.05853	93.4
149.07416	43.7
153.06572	6.3
155.08107	13.0
159.02158	4.9
162.05420	6.7
177.03268	51.6
181.04605	4.0
181.06053	6.9
183.11180	3.4
185.03764	36.6
199.07166	4.5
205.04599	3.8
209.00557	5.1
231.04308	61.3
254.06357	3.8
288.06390	6.3
293.09732	2.9
325.09933	100.0
362.17453	3.3
379.10925	5.0
437.15155	10.8
454.14252	42.0
507.08334	3.2
560.24817	3.6
566.19263	11.2
584.19849	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	584.2753
Annotation	N1,N5,N10-Tricoumaroyl spermidine
Peak:m/z	Relative Intensity
58.06530	0.2
58.30849	0.1
64.33437	0.2
65.03845	0.6
70.71358	0.1
72.08070	4.9
84.08061	0.9
85.02802	0.1
91.04826	0.2
91.05403	7.0
112.11184	2.7
119.04897	21.3
120.05247	0.2
129.13834	1.6
146.05988	0.3
146.16496	0.8
147.04388	100.0
148.04738	1.3
155.11766	0.9
172.14401	0.6
203.11745	2.6
204.10172	35.0
205.10516	0.5
217.13295	1.0
218.11737	3.9
221.12819	0.7
274.19101	0.7
275.17453	5.0
292.16849	0.2
292.20142	7.3
318.18063	0.6
420.22739	11.8
421.21561	1.0
438.23792	25.6
439.24094	1.1
584.27319	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03857	0.7
65.93079	0.6
70.06506	0.9
72.08067	9.2
81.43441	0.7
81.58286	0.7
89.03827	1.3
91.05411	21.4
117.03315	3.1
119.04896	51.3
120.05225	1.1
120.41369	0.7
138.60167	0.7
145.02844	6.7
146.53537	0.7
147.04390	100.0
148.04756	1.1
165.09148	0.8
177.05466	7.7
191.06938	1.2
201.05386	13.8
201.06744	0.7
237.09053	1.0
256.05994	8.2
263.06976	1.3
265.08450	1.5
291.06448	4.9
308.06546	3.2
309.11099	1.0
323.05640	0.9
323.09076	15.8
352.11877	0.9
394.16867	1.1
420.16516	0.9
422.15872	5.6
439.18539	31.9
440.18765	3.0
585.21777	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	586.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67162	0.3
57.03363	0.7
57.89555	0.3
61.02843	0.5
65.03851	0.7
69.03339	2.5
70.06501	2.4
72.08063	0.6
73.02795	0.4
81.03345	0.9
84.08080	0.5
85.02820	7.4
91.05403	100.0
92.05731	0.8
95.48243	0.4
96.51477	0.4
97.02820	3.7
109.02843	0.8
110.07101	1.5
116.98614	0.5
119.04899	0.5
123.04417	0.5
125.50671	0.4
127.03881	0.8
137.02298	0.5
137.04739	0.5
137.05882	0.4
145.02797	0.5
145.04977	0.4
146.06097	0.4
149.05965	0.6
151.03894	0.5
153.05412	0.5
157.08372	0.4
162.05496	0.7
177.05449	0.9
196.06039	0.5
218.54851	0.4
224.05450	0.8
237.02756	0.6
245.07994	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	586.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90657	0.9
69.03321	1.1
69.23392	0.9
70.06512	1.9
71.23629	1.0
75.59744	1.0
80.40665	0.9
84.04396	1.3
84.08057	1.2
86.05988	1.4
86.09605	1.2
97.77512	1.1
100.59168	0.9
110.06089	0.9
130.06506	2.2
146.06047	1.6
162.05461	2.0
249.15707	100.0
250.15981	2.3
322.67285	1.3
410.02432	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	3.0
57.07016	52.0
65.12791	1.2
69.06980	2.4
71.08551	28.1
73.06449	10.3
79.03343	1.2
79.88785	1.2
83.08537	1.8
85.10108	19.0
87.04385	6.0
88.16772	1.3
89.05954	100.0
97.10080	2.3
99.11646	1.8
107.07021	2.3
117.09108	2.6
133.08578	26.7
136.06161	10.3
149.05968	2.2
155.17894	2.6
164.32167	1.3
167.91231	1.2
177.11195	15.0
199.20554	2.6
221.13719	1.8
243.23190	9.2
287.25751	5.7
291.49567	1.7
327.20175	2.0
415.25754	4.9
569.42365	15.0
586.44910	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	586.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	3.6
55.01818	4.6
55.05186	3.8
55.05453	87.7
55.43145	2.4
55.61619	3.6
55.69582	2.4
57.07010	18.9
64.33527	3.3
67.05428	96.6
69.06995	35.5
71.04916	3.5
71.08547	69.7
76.28181	2.8
78.44903	2.9
79.05404	59.9
81.03337	7.8
81.06974	93.4
83.04908	12.5
83.08539	61.9
85.06443	5.4
85.10111	7.9
89.05983	3.7
91.05415	36.0
93.06969	53.1
95.04908	11.9
95.08537	65.0
97.06454	7.4
97.10107	74.0
99.08021	38.9
105.06971	25.3
107.08534	42.7
109.06472	3.9
109.10099	33.9
111.08027	5.9
117.06960	5.9
118.91431	3.2
119.08559	24.7
121.10094	19.5
124.09337	2.9
125.09609	52.5
126.37863	3.0
133.10086	18.8
135.11671	15.1
139.78967	3.0
145.10109	5.2
147.11710	5.6
149.13181	6.7
151.11163	48.7
153.09114	3.6
159.11511	3.2
161.13159	22.0
163.11143	19.1
173.11702	13.3
177.12714	21.6
179.14275	15.4
189.11209	46.4
189.12767	5.1
195.13789	5.1
239.23561	5.6
241.19421	4.1
259.20462	4.5
277.21567	100.0
295.22635	31.5
329.96292	3.6
409.17719	3.2
462.87186	3.2
597.78168	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	586.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	2.8
55.01810	25.9
55.05451	62.4
57.07014	88.7
67.05428	72.4
69.06983	50.9
71.08549	63.0
77.67258	2.5
78.54796	2.4
79.05408	37.4
81.03331	6.9
81.06974	91.3
83.04891	13.5
83.08537	51.0
85.10108	33.2
87.33507	2.6
89.05960	7.0
91.05407	27.7
91.67329	2.5
93.06971	48.5
95.04903	14.1
95.08533	72.0
97.06435	15.5
97.10078	34.9
99.08042	5.7
105.06959	25.7
107.08527	36.3
109.06451	4.7
109.10110	30.8
111.08031	17.2
113.09618	4.2
117.06953	5.6
119.08512	14.6
121.10097	16.7
123.08064	3.9
123.11641	16.3
125.09586	18.0
127.12282	2.7
131.08546	4.6
133.10115	14.6
135.11685	12.4
137.13179	3.7
139.11143	4.0
145.10037	4.0
147.11661	16.1
149.13274	11.9
151.11153	13.2
159.11638	4.1
165.12709	18.6
177.12701	18.2
189.11182	5.6
195.13768	12.5
207.13841	3.3
239.23631	38.3
259.20526	5.9
277.18823	4.4
277.21600	90.7
295.22617	100.0
296.22870	3.9
393.35709	3.0
455.81641	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	586.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	4.6
55.05452	96.8
57.07005	32.8
62.48203	2.8
64.57907	2.7
67.05080	4.4
67.05422	96.3
69.03363	3.7
69.06982	32.1
71.08546	76.8
79.05403	49.2
81.03336	3.6
81.06964	82.6
83.04889	7.5
83.08529	62.1
85.10090	6.9
91.05408	37.8
93.06960	63.7
95.04881	13.5
95.08521	60.6
97.06461	12.3
97.10095	95.7
99.08013	36.7
105.06950	28.7
107.08521	47.4
109.06456	4.7
109.10083	25.5
111.08016	3.4
117.06958	6.2
119.08545	20.0
121.10093	13.4
125.09577	57.6
129.07005	4.5
133.10086	20.0
135.11656	16.2
145.10052	5.2
147.11623	4.9
149.13226	4.4
151.11169	41.5
161.13220	17.1
163.11122	19.4
173.11635	3.5
177.12631	23.1
179.14268	21.1
189.11160	47.3
195.13808	4.1
200.89352	3.3
241.19467	5.2
259.20557	6.4
277.21536	100.0
295.22638	24.7
582.40997	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	586.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78772	0.7
55.01798	1.0
55.05451	10.7
57.03360	4.5
57.07021	6.6
59.04926	5.6
61.65655	0.6
67.05427	85.6
68.05764	0.8
69.06966	4.9
69.45043	0.9
71.04921	1.7
79.05388	4.0
81.06973	17.9
83.04897	1.3
83.08543	9.1
85.06455	1.9
89.05975	0.9
91.05386	4.5
93.06962	8.7
95.03123	0.8
95.08535	7.9
97.06439	0.9
97.10082	1.8
105.06979	1.7
107.08508	4.2
107.09164	1.0
109.10106	97.2
110.10405	1.8
111.08009	3.5
111.78397	0.8
119.08531	8.8
121.10045	1.1
125.09602	3.2
135.11615	0.9
137.09557	5.6
147.11752	1.0
155.10635	11.2
165.84091	1.0
170.03665	1.0
173.11694	100.0
174.12061	3.2
193.74596	0.8
195.13789	1.1
250.06256	5.9
277.21637	6.5
295.22626	8.5
306.12457	4.0
362.18658	4.5
418.24927	4.7
474.30963	3.8
475.31458	1.0
530.37103	3.7
551.05438	0.9
586.43115	1.9
587.54169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03372	0.5
69.03342	2.7
70.06512	6.4
72.08057	1.0
81.03332	2.5
84.04429	0.5
84.08041	1.1
84.16047	0.5
85.02821	2.7
86.09631	0.9
91.05396	2.3
97.02827	3.6
99.04390	0.7
106.64796	0.4
109.02812	3.9
110.07093	1.8
119.04874	2.5
122.74290	0.5
125.39548	0.4
127.03867	2.3
128.04887	1.7
129.10184	1.1
129.13046	0.5
132.04419	0.8
136.06129	0.4
136.07538	1.1
141.10152	0.5
145.02829	2.1
146.05991	100.0
147.04428	4.1
147.06294	0.8
155.11755	0.5
162.05478	2.2
163.03888	0.9
174.05482	12.9
175.03929	0.7
177.05415	1.0
192.06523	10.6
204.10132	0.5
229.08572	1.7
246.07468	0.6
264.08545	0.5
269.41400	0.5
318.09741	2.8
336.10675	3.2
403.73065	0.5
445.82925	0.5
460.96234	0.5
468.67514	0.5
498.07117	0.5
612.82166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.254
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08049	2.9
81.07008	2.5
91.05402	9.8
94.49330	2.4
94.75314	2.0
102.04562	2.5
119.04887	16.0
119.96192	2.5
122.03562	4.8
125.66198	2.0
137.05957	84.0
145.02817	3.6
147.04399	66.6
158.03583	5.8
161.05943	9.0
162.05498	3.8
162.06747	3.9
173.05922	10.9
175.03839	2.5
177.05380	2.9
178.07639	3.1
186.03084	4.5
189.06921	4.4
201.05455	74.0
202.05817	3.1
205.06447	11.4
206.07190	10.7
213.05392	10.3
217.06485	4.3
221.07970	3.6
231.06300	2.6
233.05885	9.2
234.06741	35.6
235.07446	10.1
235.14304	3.4
243.48380	2.6
245.05788	4.7
248.08084	2.9
249.09039	10.5
250.06087	2.7
251.07156	4.6
261.05389	3.6
261.12341	2.8
262.06204	34.4
263.06833	10.0
265.08426	9.6
273.05441	5.9
274.06085	4.3
277.08542	38.1
278.05890	2.7
279.06482	4.2
287.07132	3.9
290.05658	59.1
293.07880	5.0
294.08807	10.5
295.09454	4.5
304.07333	3.5
305.08032	85.7
306.08777	2.7
307.06210	3.0
307.09647	11.4
309.11316	4.9
319.09564	9.3
322.08163	4.3
325.10635	13.7
327.77094	2.3
337.10648	100.0
355.11691	26.8
443.21603	4.1
459.47879	2.7
460.58627	2.6
559.24548	3.8
589.24542	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	589.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45052	3.4
55.05446	24.0
57.07024	7.4
59.80257	3.9
67.05433	38.2
69.06994	19.4
71.08543	18.9
73.60532	3.8
73.82958	4.1
79.05442	31.3
79.05843	4.7
80.20167	4.2
81.03340	22.0
81.06983	33.1
83.04927	5.6
83.08534	4.3
85.10128	9.1
91.05408	27.4
93.06971	40.0
95.04897	18.0
95.08534	40.8
97.06454	6.3
105.06989	10.2
107.04889	6.3
107.08549	25.8
109.10121	6.3
113.09644	9.1
117.06995	4.5
119.08541	17.0
121.10075	15.7
127.84494	4.4
133.10146	6.6
135.11719	9.6
137.09583	7.1
147.11607	4.7
151.11169	9.6
158.41116	4.9
161.13274	5.6
165.12749	22.4
179.14328	30.8
190.91664	4.3
202.35115	3.8
277.21545	100.0
295.22665	58.9
381.64120	5.7
457.36081	5.0
589.44092	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17632	1.5
53.80873	1.3
64.33060	1.4
65.03851	2.5
65.93395	1.2
66.50155	1.3
69.03334	2.1
70.06521	7.7
72.08074	3.5
81.03340	4.0
84.08070	3.2
86.09599	1.9
88.49104	1.5
91.05412	40.8
109.02842	3.2
110.76870	1.6
117.03387	2.6
119.04900	64.8
124.03900	1.8
145.02841	8.3
146.05986	2.9
147.04393	64.2
147.05518	3.4
147.71240	1.6
157.03954	7.5
157.60126	1.6
162.05457	35.7
164.04668	2.4
175.03877	95.0
176.04346	1.6
177.05461	5.9
179.06969	4.0
190.05035	2.6
207.04535	3.5
207.06493	100.0
208.06761	2.8
222.07553	6.5
235.07498	1.6
268.14853	1.7
351.10938	2.4
370.91980	1.8
488.63657	1.7
532.91968	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	590.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	0.4
55.05442	0.4
69.03345	0.9
70.06506	2.9
72.08076	0.4
81.03332	3.8
84.04391	0.4
84.08076	0.7
85.02840	1.5
86.09617	0.7
89.03843	1.0
91.05380	0.7
97.02814	2.6
99.04379	0.6
99.91589	0.4
109.02840	5.4
117.03321	2.3
124.03912	0.6
127.03893	2.3
128.04941	0.6
132.04395	1.8
134.05968	0.4
135.04381	0.9
145.02814	5.8
146.05989	100.0
147.04384	2.4
147.06335	1.7
150.05391	0.6
162.05463	3.9
163.03886	3.9
163.05762	0.7
174.05484	10.2
177.05399	6.8
192.06505	7.7
237.07430	0.5
300.08615	1.9
318.09637	2.4
336.10751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90623	0.8
53.03878	1.2
55.01812	4.1
55.98151	0.7
57.03380	6.7
61.02850	10.4
69.03353	22.7
69.07001	6.1
70.06530	1.1
71.04902	1.8
73.02824	3.8
81.03339	8.3
84.04426	1.2
85.02828	100.0
86.03165	0.9
87.04404	1.4
91.03880	5.1
97.02829	26.1
99.04389	4.1
103.03883	1.1
109.02821	9.5
110.07116	1.2
115.03864	1.1
127.03869	24.3
135.60762	0.9
145.03862	1.6
145.04938	30.8
156.21350	0.8
162.05463	3.2
163.05978	14.6
185.13403	0.8
239.75848	0.8
271.08160	1.0
282.02808	0.9
289.08942	1.0
325.11273	7.9
438.81366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63045	2.1
53.03877	15.4
55.01804	5.8
55.05443	5.4
56.04974	2.9
57.03371	12.6
59.04925	14.0
61.02845	6.0
68.99712	11.6
69.03348	62.3
70.06525	18.1
70.06847	2.2
71.04921	5.7
72.08057	9.6
73.02825	10.6
73.06458	4.3
81.03331	78.1
83.04887	12.1
84.04422	5.1
84.08073	6.3
85.02822	100.0
86.09616	6.2
87.00754	26.0
87.04394	16.0
95.04906	3.5
97.02816	54.9
98.97495	3.3
99.04384	27.8
101.05975	3.1
103.03913	9.5
105.01818	10.2
105.05454	3.3
109.02825	76.2
109.03532	4.3
110.07143	3.9
111.04379	16.5
119.04863	4.9
121.02827	2.9
123.04362	5.2
125.02448	2.4
127.03871	99.1
129.01772	12.6
129.05438	4.5
130.05009	2.5
130.06502	5.6
137.06049	2.5
141.01816	11.0
145.02832	6.5
145.04927	22.0
146.06009	29.2
147.02878	3.6
147.04399	16.8
151.03905	6.3
155.08368	2.6
159.02921	3.3
162.05449	4.3
163.03874	4.6
177.05406	18.6
181.08531	9.9
185.22032	2.5
213.03954	10.3
231.04929	5.0
285.09570	4.9
303.10690	4.2
311.75058	2.9
325.59641	3.0
339.07074	10.4
357.08057	18.0
375.09088	35.4
393.10205	11.3
447.14728	12.4
465.16183	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	590.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63045	2.1
53.03877	15.4
55.01804	5.8
55.05443	5.4
56.04974	2.9
57.03371	12.6
59.04925	14.0
61.02845	6.0
68.99712	11.6
69.03348	62.3
70.06525	18.1
70.06847	2.2
71.04921	5.7
72.08057	9.6
73.02825	10.6
73.06458	4.3
81.03331	78.1
83.04887	12.1
84.04422	5.1
84.08073	6.3
85.02822	100.0
86.09616	6.2
87.00754	26.0
87.04394	16.0
95.04906	3.5
97.02816	54.9
98.97495	3.3
99.04384	27.8
101.05975	3.1
103.03913	9.5
105.01818	10.2
105.05454	3.3
109.02825	76.2
109.03532	4.3
110.07143	3.9
111.04379	16.5
119.04863	4.9
121.02827	2.9
123.04362	5.2
125.02448	2.4
127.03871	99.1
129.01772	12.6
129.05438	4.5
130.05009	2.5
130.06502	5.6
137.06049	2.5
141.01816	11.0
145.02832	6.5
145.04927	22.0
146.06009	29.2
147.02878	3.6
147.04399	16.8
151.03905	6.3
155.08368	2.6
159.02921	3.3
162.05449	4.3
163.03874	4.6
177.05406	18.6
181.08531	9.9
185.22032	2.5
213.03954	10.3
231.04929	5.0
285.09570	4.9
303.10690	4.2
311.75058	2.9
325.59641	3.0
339.07074	10.4
357.08057	18.0
375.09088	35.4
393.10205	11.3
447.14728	12.4
465.16183	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	590.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	44.7
55.97487	5.2
57.03379	7.9
60.36321	5.5
67.05431	59.2
69.06988	90.5
71.04921	8.0
79.05407	80.1
79.82100	6.6
81.03373	5.6
81.06969	79.1
83.04890	12.5
91.05402	71.0
92.63291	7.1
93.06976	100.0
95.04894	40.5
95.08524	56.4
97.06416	11.7
105.06995	85.8
107.04890	79.6
107.08543	32.5
109.10094	10.1
117.06969	25.4
117.68772	7.3
119.08543	51.1
121.10103	33.2
121.26721	6.6
127.67753	7.1
128.19341	7.5
131.08548	12.6
133.10085	32.5
135.08031	48.8
136.59770	7.1
139.11140	10.6
145.10146	10.8
147.11667	8.3
151.08501	6.6
203.12881	8.4
235.12880	7.3
237.14729	13.5
275.19940	99.5
293.21045	99.5
294.21625	7.0
298.76105	7.4
312.28717	8.4
335.21835	27.7
402.76157	6.8
591.46082	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36298	3.7
54.81624	4.7
55.01801	7.7
55.05449	35.4
67.05429	73.5
69.06986	48.9
70.79063	5.3
71.04903	9.0
71.08557	5.0
75.32391	5.0
79.05411	67.1
81.06980	62.7
83.04896	9.0
89.05920	5.5
89.98887	4.7
91.05399	33.7
92.64148	5.1
93.06971	100.0
95.04905	21.6
95.08532	58.8
97.06483	8.7
97.10078	8.2
105.06960	35.2
107.08515	28.6
109.10101	34.1
117.06971	10.0
119.02357	5.1
119.08527	37.2
121.10080	31.5
123.08041	7.4
123.11597	6.6
131.08575	5.8
133.10132	8.0
135.11649	8.6
137.09593	12.2
139.11130	7.7
147.11714	7.4
173.13260	6.5
179.14357	5.1
261.22073	31.9
277.21542	38.9
295.22604	44.5
356.70367	5.3
445.45584	5.3
590.44434	11.7
591.45703	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	590.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	3.7
55.01803	6.9
55.05461	30.4
57.07005	5.2
67.05426	65.0
69.03359	5.1
69.06982	28.0
71.04903	4.2
71.08547	25.4
79.05409	40.0
80.59006	3.5
81.03338	30.7
81.06980	51.4
83.08556	4.9
89.05953	7.3
91.05405	27.9
93.06968	53.0
95.04926	30.7
95.08549	41.7
97.10098	5.9
99.08037	16.4
105.06974	9.9
107.08540	20.9
108.10815	4.3
109.10112	19.4
117.13099	4.7
119.08537	18.1
121.10078	15.6
131.08620	5.6
133.10045	15.5
134.20549	4.2
135.11653	6.8
137.09624	18.3
139.11201	5.1
149.13199	4.1
151.11134	19.9
237.70001	5.0
277.21545	90.0
295.22626	100.0
328.08478	4.6
372.68124	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	591.459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81823	1.1
63.84896	0.9
65.84055	1.0
67.05424	1.8
92.10919	3.0
108.38603	1.1
177.46767	1.1
178.37021	1.2
195.09882	49.5
335.21851	55.3
335.25647	2.4
426.61780	1.3
591.45886	100.0
592.45685	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	591.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59069	0.7
59.97226	1.1
61.71302	0.9
64.10867	0.9
67.05439	1.0
74.79211	0.9
89.05933	1.2
172.21736	0.9
213.42503	1.0
267.92459	1.0
274.76175	1.0
335.21841	2.1
337.63470	1.0
357.44421	1.2
555.74420	1.1
591.45837	100.0
592.45959	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	591.459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14406	2.8
55.05445	3.8
67.05419	3.4
71.85998	3.0
72.90352	3.2
75.85560	3.2
81.06963	4.7
91.65919	3.0
93.06960	3.8
288.31583	4.2
335.21860	20.1
591.45886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06987	2.2
93.06956	2.4
105.06964	2.3
112.42095	2.4
124.36419	2.1
128.86955	2.5
141.80222	2.3
195.09872	12.2
235.13051	5.5
335.21835	39.9
591.45862	100.0
592.45996	5.4
612.15540	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	591.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	4.2
55.01804	7.7
55.05448	55.7
55.90260	4.1
56.99968	4.7
57.07005	9.4
62.63460	3.5
65.03880	3.7
67.05428	100.0
69.06992	39.2
71.08553	6.0
79.05408	43.9
81.06973	93.2
83.08528	21.3
85.10100	5.6
91.05412	35.0
92.10236	7.6
93.06425	5.9
93.06963	58.6
95.04895	6.3
95.08535	68.9
97.06458	5.0
97.10089	19.9
105.06976	35.0
107.08551	39.0
109.06473	4.9
109.10114	51.5
117.06947	17.9
119.08569	38.2
119.09296	5.6
121.10090	28.3
123.11588	8.1
125.09621	7.0
131.08542	9.9
133.10095	7.1
135.11682	9.0
142.36252	4.6
145.10123	7.4
147.11641	15.6
148.39420	4.5
149.13200	8.8
159.11671	5.3
161.13191	5.4
164.31865	4.3
173.11739	15.6
173.13284	4.7
175.14693	5.5
185.07845	4.1
185.13298	5.5
185.85483	4.3
187.14767	5.1
277.21506	17.4
279.23105	10.3
387.32782	12.7
389.34128	43.8
401.33945	9.9
555.43701	24.3
573.44684	6.4
590.43250	9.4
591.43695	21.5
606.60345	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	591.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18684	3.8
55.01809	8.1
55.05457	41.7
57.06993	5.9
62.79391	3.7
67.05431	89.9
69.06989	29.4
71.08537	4.9
78.97214	3.4
79.05399	47.0
81.06982	100.0
83.04904	5.8
83.08536	9.9
91.05412	32.0
93.06979	56.8
95.04925	5.1
95.08529	70.9
97.06433	6.5
97.10099	6.9
99.08064	5.7
105.06959	34.0
107.08537	35.1
109.10117	21.1
111.08045	7.1
112.97020	3.9
115.05445	4.6
117.07013	7.1
119.08541	37.8
121.10095	27.5
123.07994	4.4
123.11687	8.1
127.58217	4.1
131.08516	27.6
133.10083	9.9
135.11662	8.8
143.08527	5.0
145.10089	15.9
147.11635	7.1
149.13277	8.1
159.11642	18.7
173.13321	5.9
187.14838	5.4
195.13828	17.0
213.14857	7.8
240.31572	4.8
259.16101	4.0
277.21600	16.1
279.23096	9.5
360.33081	4.5
459.34219	5.6
461.36069	33.5
537.42871	5.2
555.43640	15.2
591.37958	7.9
604.56152	4.9
619.05475	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	591.5822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59641	2.3
54.81566	2.5
55.05453	23.6
57.07001	5.4
57.56067	2.0
58.13820	2.0
60.14823	2.7
67.05424	12.7
69.06987	22.8
70.31174	2.6
70.97595	2.3
72.04430	100.0
78.75497	2.1
79.05384	4.9
80.70531	2.2
81.06955	19.7
83.08549	5.3
89.53897	2.4
91.05391	3.4
93.06961	5.5
95.08537	14.2
97.10097	2.7
99.72351	2.4
105.06943	3.1
107.08525	3.8
109.10098	4.9
114.09138	16.8
117.24046	2.2
119.08513	2.8
120.08034	3.5
128.10707	9.8
142.12259	5.5
147.11661	2.8
151.80638	2.6
154.12131	3.0
178.58914	2.7
260.57629	3.1
262.25204	2.7
284.29449	16.5
308.29434	96.4
407.33188	2.3
591.38306	3.5
618.82581	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	592.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	1.4
55.01802	1.1
55.05438	1.5
55.92058	0.8
56.04974	1.3
57.03376	1.1
60.04461	3.2
61.02862	3.0
61.92934	0.7
62.06016	26.3
67.05424	1.0
69.03352	11.3
70.02862	3.4
70.06503	10.8
71.04910	1.4
72.08060	6.5
73.02846	0.9
79.39899	0.8
81.03342	8.0
84.04434	4.7
84.08072	8.8
84.95945	0.8
85.02833	15.5
86.06005	1.0
86.09628	1.4
87.00756	0.8
88.03918	2.0
91.05390	5.0
92.10178	1.4
95.04896	1.6
97.02815	11.6
98.09610	1.5
98.97509	1.9
99.04384	1.7
103.03850	0.9
109.02831	4.6
109.06478	0.9
110.07107	1.7
111.04377	1.4
115.05408	4.5
116.98556	1.2
117.03315	1.3
117.06997	1.0
119.04897	5.6
120.20316	0.8
122.03587	1.3
123.04383	0.9
127.03876	5.7
129.10138	3.2
130.06496	2.0
131.00090	1.2
131.04851	1.4
134.99695	1.1
136.07547	1.2
137.05956	22.2
143.04881	4.8
145.02849	3.3
145.06416	1.0
146.03622	1.2
147.04382	13.9
149.05951	0.9
151.03873	17.5
151.04987	1.5
151.07506	5.2
152.05647	2.0
152.85901	0.9
160.05110	6.3
161.05960	5.7
163.07527	1.1
175.07530	8.2
177.05415	5.5
177.06918	3.2
186.03104	3.6
188.04581	1.5
189.05455	4.7
191.07019	4.7
194.07240	4.5
196.09645	3.2
201.05344	33.3
203.06967	5.8
205.06456	17.9
207.08032	1.4
209.05762	0.9
209.09436	0.8
217.04909	4.1
220.05103	6.9
221.06065	1.4
222.06700	11.4
230.02031	1.0
233.05905	9.8
234.06729	5.7
234.11142	1.8
235.07494	25.6
235.09818	1.2
236.08307	1.4
237.02780	1.0
237.05408	1.4
237.09045	30.8
239.06865	1.1
243.06348	0.9
244.05818	1.1
245.04370	23.2
247.07570	1.4
248.04674	6.4
249.05450	4.3
250.06168	15.2
251.06880	3.2
253.08432	1.0
262.06055	1.0
262.10663	6.0
263.04236	1.7
263.06958	31.1
264.07739	5.8
265.04922	10.5
265.08524	45.7
266.09003	2.0
267.06384	4.5
270.07599	4.0
276.03970	6.4
277.04669	1.0
278.05737	1.1
279.06555	1.6
280.07324	14.1
281.07855	2.0
282.08786	10.3
288.08722	1.4
291.03455	1.7
291.06458	19.0
292.07199	6.6
293.04364	4.8
293.08002	14.1
294.08722	1.6
295.06497	0.8
295.09488	6.6
297.11090	12.0
307.09433	3.6
308.06674	25.0
309.07324	1.6
310.08221	3.5
313.10660	3.9
319.05658	1.3
323.09070	100.0
324.09488	1.6
325.10614	39.2
336.06174	5.0
341.10199	9.2
351.08493	28.4
352.09122	1.0
369.09680	11.6
384.14258	14.5
386.11176	1.5
386.15869	29.2
390.02524	0.9
394.12766	4.2
412.13785	17.9
430.14896	33.5
469.09595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.1
55.01798	2.8
57.03371	4.7
58.18032	0.4
61.02857	10.8
67.08028	0.5
69.03008	1.0
69.03350	18.2
70.06499	3.1
71.04903	1.3
72.08041	0.6
73.02829	3.9
81.03326	6.9
82.47252	0.6
84.08098	0.5
85.02829	100.0
86.03167	1.1
87.04369	1.2
89.19790	0.5
91.03856	4.1
97.02238	1.2
97.02828	27.2
98.05938	0.7
99.04379	4.3
109.02829	8.8
115.03862	0.8
127.03882	22.4
136.06088	0.8
136.18802	0.5
145.02950	1.0
145.04933	27.6
150.05495	4.9
154.59027	0.6
162.05490	3.1
163.03864	0.7
163.05994	11.2
168.06609	0.9
168.86253	0.6
177.05421	3.1
181.94817	0.6
237.02715	0.8
251.14857	3.3
265.15341	0.9
325.11130	3.9
467.41064	0.6
475.45456	0.7
598.19830	0.8
605.25433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	2.6
53.03868	2.3
55.01810	13.3
55.05445	37.9
57.03354	3.0
57.06995	8.1
59.04931	1.2
65.03841	1.4
67.05424	100.0
67.39523	1.2
69.03336	2.2
69.06983	53.1
71.04893	8.1
71.08539	10.0
73.06446	2.0
79.05403	52.1
81.03333	7.7
81.06971	83.3
83.04897	11.8
83.08542	11.3
85.06461	1.7
86.18688	1.2
91.05405	29.5
92.11006	2.6
93.06370	2.1
93.06967	64.2
95.04890	12.6
95.08526	85.8
97.06462	12.4
97.10073	8.6
99.07996	7.2
105.06981	23.0
107.04893	2.1
107.08530	26.3
109.06429	3.5
109.10095	39.0
111.08018	3.4
117.06950	5.7
119.08530	25.1
121.10084	30.4
123.07991	9.3
123.11649	10.4
129.07007	3.4
131.08517	7.5
131.30139	1.3
133.10088	16.3
135.11664	12.9
137.09590	26.0
139.11147	10.5
143.08516	2.1
145.10088	3.0
147.11635	11.8
149.13199	9.1
151.11168	9.9
157.10075	5.7
159.11595	3.4
161.13246	11.0
163.14754	2.8
165.12775	1.9
167.14264	2.3
171.11603	2.4
173.11746	2.0
174.25285	1.5
175.14790	3.4
179.14247	1.9
181.12184	2.8
193.15808	1.7
195.13800	2.3
207.13889	1.9
221.15347	2.1
228.33673	1.5
231.21046	2.4
245.22554	2.2
249.22105	9.1
254.23456	1.5
259.20496	3.5
263.23654	11.3
277.21555	58.6
295.22598	63.8
321.71436	1.6
539.44037	6.5
557.45380	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	592.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29711	1.0
53.03878	5.7
55.01805	5.5
55.05451	23.3
57.03364	4.6
57.07003	4.9
66.29852	1.0
67.05427	49.9
69.03343	4.0
69.06985	23.6
71.04883	3.8
71.08543	13.4
73.06499	1.4
79.05407	32.3
80.27003	0.9
81.03339	30.0
81.06973	38.2
83.04891	11.9
83.08517	5.9
83.39412	1.0
85.06448	4.2
91.05411	14.5
93.06968	48.4
95.04900	23.9
95.08537	35.9
95.09139	1.8
97.06475	8.7
97.10089	6.0
99.08017	9.3
105.06960	10.8
107.04891	1.6
107.08534	19.4
109.06454	6.5
109.10104	23.9
114.36504	1.4
117.06960	6.2
119.08537	14.1
121.06435	1.1
121.10098	18.4
123.11665	4.4
125.09532	1.2
131.08517	4.0
133.10121	8.9
135.11646	10.2
137.09599	20.8
137.13248	1.6
139.11166	4.8
143.08516	1.6
145.10146	1.1
147.11649	5.2
149.09561	1.1
149.13216	5.6
151.11143	17.8
157.10121	1.3
159.11653	2.2
161.13235	2.5
165.12700	2.3
173.13287	2.0
175.14740	1.4
179.14256	1.9
195.13821	1.2
208.95395	1.1
218.86116	1.1
221.15337	2.2
241.19463	1.3
249.21938	2.2
277.21579	75.1
278.21860	1.8
295.22620	100.0
296.23105	4.8
339.53018	1.0
502.93323	1.1
528.32764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	2.3
57.03366	3.9
69.03354	10.5
70.06509	1.8
72.08047	0.9
73.02843	1.5
79.05425	1.4
81.03336	10.0
83.88258	1.0
85.02825	12.9
85.64809	1.1
91.04408	0.9
91.05392	6.6
93.06970	2.2
95.04906	1.3
97.02821	6.7
99.04401	4.0
103.03881	4.3
105.06987	1.1
107.04896	100.0
109.02817	6.1
110.07105	1.3
110.47076	1.1
117.03295	1.9
119.04910	8.6
119.72116	1.0
121.06429	1.8
122.28474	1.0
124.03886	4.2
127.03876	12.1
131.04892	56.2
135.04315	1.8
144.05688	7.3
145.02832	6.9
145.04922	2.3
145.06468	7.3
146.05992	9.6
147.04387	11.5
149.05949	20.7
151.03917	4.3
153.05415	1.1
157.06415	1.0
162.05476	12.9
173.05957	25.5
173.89233	1.1
175.03842	5.8
175.96623	1.0
177.05447	13.2
180.42853	1.0
195.06573	1.1
197.05928	7.1
207.06480	8.6
215.06987	9.7
219.06442	1.6
237.07376	1.4
261.07504	1.9
279.08563	1.9
282.02679	2.0
283.03009	1.4
297.09628	2.1
301.10620	4.2
303.08389	1.7
321.09665	1.7
363.10907	1.3
387.11057	1.2
426.71579	1.2
530.09857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45576	0.8
60.53883	0.8
64.69884	1.0
66.11992	0.8
69.37283	0.8
89.03830	1.5
92.17480	1.0
92.63672	0.9
95.76366	0.9
98.12823	0.8
115.28246	0.9
117.03338	7.5
137.05956	8.1
145.02792	16.4
147.04375	1.1
152.06140	2.1
153.06946	5.3
169.06473	1.0
170.07205	1.2
177.05415	15.9
180.05661	1.8
181.06416	14.0
182.07231	1.1
197.06039	1.0
198.06702	7.3
208.05141	0.9
209.05951	9.3
211.07515	1.0
212.08359	1.0
213.09033	4.4
225.05327	1.0
226.06189	7.6
227.07033	1.3
237.05341	1.5
241.08533	13.6
241.63962	1.1
243.06552	4.4
254.05664	4.8
255.06393	1.9
258.08722	1.5
265.15503	3.3
269.08026	28.2
270.08606	3.9
271.05893	10.7
272.20258	1.0
273.11111	5.6
276.94199	0.9
286.08307	5.7
290.55441	0.9
291.13248	1.9
297.07581	1.7
301.10645	100.0
329.10089	23.0
417.20001	5.9
593.24890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81545	0.7
63.77062	0.6
64.38451	0.6
84.04424	1.5
86.09617	1.8
89.03845	1.5
91.05402	1.1
96.32853	0.8
99.16323	0.7
117.03323	8.3
129.70921	0.7
137.05965	6.3
137.98123	0.8
145.02817	19.7
147.04410	3.0
149.05930	1.7
152.06235	2.7
153.07008	6.9
165.06952	0.8
165.66483	0.8
170.07198	0.8
177.05400	20.1
180.05638	1.7
181.06433	12.8
182.07262	1.5
183.04292	1.0
197.05936	1.4
198.06776	5.9
209.05948	8.4
211.07542	2.8
213.09052	6.4
226.06165	8.7
227.07092	1.1
237.05495	1.3
239.06929	1.1
240.07635	1.0
241.08528	13.3
243.06467	4.9
254.05721	5.3
255.06412	3.3
258.08762	1.7
265.15387	4.4
269.08035	29.1
270.08499	3.2
271.05981	8.6
273.11218	4.5
286.08276	6.6
291.13245	1.7
301.10645	100.0
302.10934	4.0
329.10156	20.8
381.70114	0.8
417.20139	5.9
593.24835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81892	0.6
69.03362	1.5
70.06511	1.7
70.54981	0.7
71.04916	1.0
72.08074	1.7
76.02163	0.7
78.12506	0.7
81.03358	1.4
81.06993	0.9
84.04424	0.9
85.02815	1.8
89.03827	1.3
91.05408	1.5
93.28509	0.9
97.02828	1.3
101.30950	0.7
105.69534	0.7
107.04861	1.2
109.02858	1.0
117.03353	9.1
119.04888	1.3
124.03909	1.5
135.04335	0.8
137.05983	5.7
145.02829	19.1
146.05945	5.5
147.04376	4.1
149.05972	3.2
152.06209	3.8
153.06982	5.8
162.05449	4.4
170.07301	1.2
177.05446	21.5
180.05698	3.5
181.06436	12.3
182.07205	1.6
184.05212	0.9
190.87891	0.9
197.05975	1.8
198.06779	5.6
207.06442	1.5
208.05212	0.8
209.05925	9.9
210.06689	0.9
211.07478	1.5
213.09082	5.7
219.83803	0.9
226.06230	9.7
227.06918	1.5
237.02371	0.9
237.05342	2.9
239.06984	1.4
241.08521	16.8
243.06471	4.4
250.21120	0.8
254.05624	6.1
255.06477	1.9
258.08902	1.7
265.15280	3.3
269.08044	27.0
270.08752	3.0
271.05881	9.0
273.11093	4.0
286.08246	5.0
291.13388	3.3
297.07526	1.0
301.10666	100.0
302.10895	3.1
313.07028	3.3
329.10147	22.5
343.08118	5.5
365.09933	1.3
367.08011	1.1
379.09137	0.9
393.09796	3.1
411.10663	4.0
417.20206	6.6
447.12671	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	593.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	1.1
57.03367	0.8
58.86341	0.9
64.33678	1.1
65.03864	1.2
69.03326	2.3
70.06500	2.3
72.08055	1.2
72.21252	0.9
79.05358	1.3
81.03333	4.9
85.02827	1.5
89.03830	1.6
91.05389	6.6
93.06925	0.9
95.04891	1.4
97.02818	2.4
102.91743	1.1
105.06950	1.3
107.04876	2.2
110.07040	1.2
117.03339	10.1
119.04898	7.9
124.03911	2.0
128.53294	0.9
135.04422	1.2
136.07550	1.4
137.05965	7.7
145.02798	24.2
146.05995	8.6
147.04362	12.0
147.67465	1.0
148.04791	1.9
149.05861	2.1
152.06229	1.2
153.07014	7.2
159.07906	1.2
161.27084	1.0
162.05447	14.4
163.05853	1.4
175.03862	6.9
176.04178	2.1
177.05429	23.8
180.05717	1.8
181.06400	17.0
183.08075	1.8
185.95361	1.0
194.77701	1.0
198.06726	7.2
207.06491	8.6
208.06795	2.5
209.05978	9.4
213.09064	5.4
224.05414	1.1
226.06227	10.3
227.06975	1.5
231.13739	1.6
237.05490	3.9
239.06807	1.2
241.08614	15.3
243.06316	2.5
254.05713	7.9
255.06393	2.3
258.08838	1.7
265.15277	4.4
269.08017	32.4
270.08829	1.8
271.05936	8.2
273.11102	4.7
286.08255	5.8
300.11166	1.2
301.10648	100.0
302.11063	1.5
329.10092	24.5
417.20105	5.6
593.15881	1.3
593.24670	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	593.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	13.9
55.90065	5.3
59.82366	6.8
59.88916	6.5
65.81517	5.5
67.05424	66.0
69.07002	14.5
79.05002	6.5
79.05377	48.8
81.06980	100.0
83.04886	8.4
83.08546	10.1
91.05411	12.5
93.06977	65.6
95.04884	8.8
95.08540	55.9
107.08543	46.2
109.10107	12.2
121.10088	12.0
133.10060	13.2
135.11674	7.9
146.86473	7.2
147.11751	8.4
149.13214	29.3
195.13841	48.8
213.14841	13.3
242.21761	7.0
258.15125	8.0
273.91611	6.7
277.21500	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	594.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61176	0.3
65.03854	5.5
69.03353	0.5
75.40016	0.4
83.31403	0.4
83.36234	0.4
95.04897	0.7
97.02815	0.4
121.02832	2.0
129.05453	0.4
131.04921	0.4
136.37224	0.3
139.03868	5.0
146.08157	0.4
147.04395	1.5
149.02319	100.0
149.03397	6.8
150.02679	1.7
155.14955	0.4
156.30132	0.4
175.03871	1.8
177.05363	0.6
190.49643	0.4
191.06985	0.9
193.04927	39.9
209.42639	0.4
219.06493	1.8
256.97131	0.5
269.04388	0.6
289.08496	0.4
297.03873	0.8
313.07037	1.9
329.69940	0.4
341.06491	5.1
342.07205	0.5
359.07501	1.9
385.09088	11.5
533.10907	0.8
577.13300	53.4
578.13641	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04963	0.5
56.96489	1.4
58.06512	0.5
58.86730	0.2
60.08093	8.4
71.07287	4.9
72.08065	0.5
81.68552	0.3
81.97510	0.2
86.09626	18.5
92.98603	0.3
102.92547	1.9
104.10677	100.0
105.11002	1.0
118.92050	0.3
120.10198	0.3
124.51672	0.3
124.99959	0.5
129.73445	0.2
132.51051	0.3
154.94156	2.8
162.94632	0.5
172.95197	11.5
180.95694	3.7
184.07112	0.3
190.96242	8.2
190.97818	0.5
198.96756	35.2
210.96844	1.3
216.97812	41.5
221.98372	1.6
228.97774	5.0
234.98988	1.3
236.98250	0.4
239.99495	2.4
246.98788	0.3
254.99240	2.1
258.04196	0.7
275.53006	0.3
313.20309	2.0
331.21506	2.8
393.16959	0.4
419.18466	0.5
431.18570	0.4
437.19675	1.4
446.25806	0.3
449.19482	2.5
467.20752	0.5
475.21262	1.7
476.62085	0.3
478.26086	3.6
534.28522	5.2
591.80524	0.3
594.30615	17.6
595.31329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46323	0.2
55.01812	0.2
65.03860	5.7
69.03336	0.3
71.44645	0.2
81.43781	0.2
81.57478	0.2
85.14470	0.2
93.03361	0.2
95.04887	0.9
97.02838	0.2
103.01771	0.3
105.03310	0.3
111.04342	0.3
111.92725	0.2
121.02810	2.8
127.87241	0.2
135.22813	0.2
139.03880	4.2
147.04387	0.8
149.02319	100.0
149.03371	5.1
150.02655	2.4
153.06969	0.2
175.03923	0.3
177.05371	0.3
193.04929	65.9
194.05296	1.9
211.05817	0.2
219.06482	0.4
225.05400	0.8
237.07533	16.9
238.07857	0.4
269.04303	0.9
297.03888	1.0
313.06915	0.8
341.06451	3.7
356.58435	0.2
359.07504	2.1
385.09064	13.1
386.09201	1.0
429.11752	4.8
496.96704	0.2
533.10492	0.4
577.13232	13.4
578.13208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Vitexin 7-O-glucoside
Peak:m/z	Relative Intensity
55.01830	3.6
69.03342	4.9
84.02737	2.8
84.12049	2.4
85.02831	5.7
91.05415	4.1
97.02803	6.0
99.00822	3.2
107.04901	3.5
109.02787	4.3
110.07072	2.6
113.07219	2.4
117.94685	2.4
121.02760	3.2
124.03883	5.0
137.02277	2.7
143.27719	2.9
145.02823	4.8
146.14310	2.3
147.04419	6.0
147.09451	2.6
149.05937	13.1
151.03877	47.9
151.04990	3.0
162.05424	12.4
163.03891	13.6
175.03873	6.3
177.05489	6.0
189.01828	4.9
191.03424	4.0
195.02844	4.7
203.03334	5.9
207.02840	13.9
215.03392	5.0
219.02806	5.1
221.04443	5.3
229.04964	3.7
281.07968	3.4
282.02802	3.1
297.07385	3.3
298.08197	3.7
308.06677	3.0
309.07648	5.4
310.04749	18.4
310.07956	4.1
311.05496	4.9
311.08926	3.4
312.06305	6.5
313.06946	12.5
322.04611	10.3
323.05545	9.7
323.09036	4.4
324.06320	30.1
325.07010	100.0
326.07834	3.4
327.08423	4.3
334.08337	3.5
336.06177	19.3
337.07001	69.1
338.07825	22.9
339.04929	3.3
339.08585	21.7
343.07816	3.1
348.06052	5.7
349.07065	3.8
350.07709	15.0
351.08597	29.3
352.05624	9.8
352.09369	6.4
353.10071	5.5
355.08069	73.6
362.07831	4.6
363.08496	17.8
365.10019	12.8
366.07187	4.1
367.07999	56.9
376.05637	4.5
377.10117	6.3
379.07986	46.2
381.09470	17.0
385.09241	6.0
391.08011	27.6
393.09854	5.1
395.11359	3.6
397.09097	10.7
403.07596	4.2
404.08725	3.0
405.09448	15.6
409.09091	79.3
421.09164	23.1
427.10129	29.0
433.09097	18.0
435.10498	10.8
439.10239	19.4
445.11014	14.8
451.10059	10.6
457.11407	18.9
463.09995	17.2
469.10983	4.3
475.11978	20.5
481.11066	19.2
487.12183	26.6
499.12399	31.1
499.18643	4.3
505.11081	5.2
511.12350	30.5
523.12286	26.7
529.13477	23.6
541.13342	32.4
559.14508	41.4
577.15643	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
54.82806	1.5
56.04959	2.6
57.03375	2.5
59.68973	1.3
70.06512	11.3
72.08087	1.8
73.02829	2.1
76.40305	1.6
81.03332	3.6
83.06032	3.8
84.04430	42.5
84.08053	2.3
85.02836	9.8
85.04757	2.3
86.06038	2.4
86.09636	22.8
88.03902	3.2
88.29190	1.5
91.05408	15.8
93.04444	2.4
97.02811	3.0
101.07082	1.8
103.03887	2.6
107.04925	3.4
109.02821	6.4
110.07121	57.3
111.04319	1.8
111.07468	2.9
111.82182	1.6
119.04897	19.7
121.02819	46.9
135.04361	3.5
136.07555	37.8
144.06535	32.4
145.02805	13.3
145.06841	2.2
146.06047	1.9
147.04367	7.6
148.27884	1.6
151.03859	2.1
161.02264	2.5
161.09143	17.6
163.03853	29.9
164.04224	4.0
171.04413	1.6
175.03847	2.4
177.05373	3.2
181.04935	3.1
185.44949	1.7
189.01802	6.4
191.03340	6.4
195.02872	8.8
201.05406	2.2
203.03334	9.5
205.04778	2.1
207.02864	12.8
207.06377	1.8
209.04330	1.8
217.04904	6.8
219.02827	8.6
221.04419	2.0
225.03711	2.5
229.04889	2.8
249.52185	1.6
257.62067	1.8
267.06549	2.0
268.07275	4.0
273.04025	1.8
279.06479	8.1
281.07977	7.6
283.06018	5.9
285.03915	2.8
293.08121	3.3
294.05188	26.8
295.05975	97.5
296.06653	9.9
297.07465	11.0
307.05957	55.1
307.09470	2.8
308.06671	24.5
309.07437	17.3
313.06903	7.3
319.05890	6.8
320.06641	6.6
321.07565	38.8
322.04880	1.8
322.08133	12.3
323.05453	3.0
323.09183	3.8
325.06989	100.0
333.07501	9.7
335.05566	2.3
335.08966	14.6
337.06992	63.6
337.10956	3.2
338.07166	2.6
345.07379	3.3
347.09103	11.3
349.07007	33.1
351.08578	24.8
355.08200	15.3
361.06906	18.0
361.11011	5.7
363.08566	9.1
365.10123	12.1
367.07889	6.4
373.07053	2.4
375.08716	12.4
379.08078	41.0
385.06903	3.3
387.07855	1.9
389.10095	7.1
391.08066	32.1
403.08035	22.9
409.09097	29.7
415.08307	2.5
421.09183	20.0
427.10269	24.0
433.09027	2.2
439.10156	19.8
445.10486	2.5
457.11252	61.8
458.11560	2.2
475.12561	15.3
481.11258	18.3
496.19467	2.1
499.12234	16.6
505.10962	5.9
511.12427	18.0
523.12250	16.2
529.13165	7.8
541.13385	19.5
542.74084	1.9
559.14264	19.8
577.15027	10.3
587.75995	2.2
595.21991	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	595.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	2.2
55.05447	17.4
57.03363	14.5
57.38426	1.6
58.21946	1.6
67.05421	69.8
69.06981	15.0
69.20068	2.1
71.04887	1.7
79.05416	36.6
81.06973	50.7
83.08537	2.7
83.41090	1.7
91.05387	16.6
93.06969	35.8
95.04894	3.3
95.08523	37.3
96.63338	2.0
98.98388	17.7
103.45850	2.4
105.06956	12.5
107.08535	18.4
109.02831	4.1
109.10105	14.2
112.18693	2.0
117.06966	2.3
119.08567	3.0
121.10108	10.7
123.11673	3.8
131.08577	2.9
133.10086	3.5
135.11646	2.9
137.13211	2.0
145.10004	2.0
146.10106	1.9
154.14622	1.8
155.01080	3.2
261.22113	2.4
335.21793	4.2
335.25696	100.0
336.25879	3.8
359.53763	2.2
622.15552	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	597.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37893	0.7
53.03881	4.4
53.42274	0.8
55.01806	7.0
55.05451	0.9
61.02847	1.6
65.03859	8.7
67.05422	2.2
69.03349	4.5
70.06499	4.2
71.04876	0.9
72.08054	1.3
75.04398	7.8
78.04621	4.1
79.05394	5.0
81.03326	5.5
81.06964	4.0
82.04159	0.9
84.08033	0.9
85.02831	14.2
86.09651	1.0
89.03830	2.1
89.05944	1.5
91.05408	31.5
93.03333	23.1
93.06969	14.3
95.04900	16.0
97.02831	7.1
97.06459	7.5
103.03951	1.2
103.05400	13.6
105.03334	2.0
105.04428	1.4
105.06975	5.8
106.04115	63.3
107.04913	8.1
109.02802	3.4
109.06468	4.7
110.03619	1.3
110.07193	1.0
111.04401	1.8
116.98622	1.1
117.03333	4.1
117.07022	1.2
119.04897	4.2
119.08497	1.8
121.06455	67.6
122.03589	1.0
123.04382	3.8
124.03884	1.8
124.05171	1.2
125.05961	17.8
127.03855	4.4
131.04858	4.1
133.02838	2.4
133.06473	4.1
133.10077	1.4
134.03596	9.0
135.04370	4.3
135.08061	1.2
137.05928	13.4
138.06743	1.8
139.07504	6.0
145.02789	8.7
146.05986	2.2
147.04382	5.0
147.11626	3.6
148.05165	6.8
149.05954	97.0
150.06348	1.9
151.03860	1.4
151.07518	6.1
152.08301	1.8
153.05453	5.7
153.09071	24.2
155.06992	1.7
162.05475	48.5
163.05832	1.0
163.07555	7.5
165.05415	6.7
166.06215	4.1
167.07034	6.7
175.03917	1.9
175.11156	2.0
177.03879	1.6
177.05434	45.9
179.07007	1.2
180.07803	4.9
181.04938	22.8
181.08525	28.1
182.05389	1.3
190.04973	4.4
191.06900	7.1
193.04926	1.2
207.06490	2.4
208.05806	2.2
208.07329	5.0
209.08049	100.0
210.08412	1.8
225.07578	7.8
226.08232	1.1
233.07849	1.1
282.02875	1.4
334.09241	1.0
352.10107	3.8
359.29205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07470	0.5
55.05193	1.0
55.05451	27.7
57.03095	0.9
57.03371	19.3
57.07013	4.0
61.79303	0.5
65.03849	0.8
65.96886	0.5
67.05426	56.9
69.03331	0.9
69.06986	36.2
69.53313	0.5
70.58485	0.5
71.04897	0.8
71.08533	1.0
76.56271	0.6
79.05409	13.9
81.03325	2.2
81.06972	53.1
83.04860	1.1
83.08537	13.1
85.06500	0.6
87.75513	0.7
90.25514	0.6
91.05402	8.6
93.06967	15.0
95.04877	0.8
95.08530	38.3
97.06450	3.3
97.10094	5.9
98.98389	10.2
99.07999	0.7
105.06989	6.2
107.08554	7.1
109.02814	0.8
109.10088	11.6
111.08041	0.8
111.11652	0.9
119.08556	4.4
121.10140	4.6
123.07949	0.6
123.11633	4.9
133.10109	3.8
135.11635	1.2
137.13245	0.8
147.11687	2.5
149.13188	1.1
155.00986	0.8
161.13226	2.1
163.14841	0.6
212.80209	0.6
245.22572	0.9
263.23538	1.0
273.90836	0.8
299.91016	0.6
336.30850	0.6
337.27283	100.0
338.27679	7.1
342.81943	0.6
491.46301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3031
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.41542	0.5
53.00240	0.7
53.03870	0.9
55.01801	0.5
55.05451	27.5
57.03371	17.1
57.07000	3.1
63.10549	0.5
65.03849	0.8
65.41394	0.5
67.05426	53.6
68.05754	0.7
69.03330	0.7
69.06985	31.9
71.04888	1.3
79.05411	14.0
81.03347	1.2
81.06970	53.9
83.04882	1.3
83.08538	14.6
91.05403	10.2
93.06969	13.5
95.04886	1.4
95.08528	37.3
96.08851	0.8
97.06462	3.6
97.10084	6.2
98.98393	11.7
99.07986	0.9
100.23759	0.5
105.06958	6.5
107.08551	6.7
109.02800	0.9
109.09391	0.8
109.10104	13.2
109.43585	0.5
111.08018	0.8
119.08515	5.4
121.10074	4.6
123.11654	4.7
133.10077	3.4
135.11659	1.4
137.13213	0.8
147.11636	2.9
155.01039	1.3
161.13196	0.9
170.18472	0.6
175.14787	0.9
194.81508	0.6
263.23679	2.8
337.27295	100.0
338.27740	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	597.3331
Annotation	hexadecanoyl-4'-phosphopantetheine
Peak:m/z	Relative Intensity
51.45038	1.5
55.01799	2.6
55.05442	4.0
57.07016	36.7
60.71212	1.8
61.01079	12.9
63.59568	2.1
64.84102	1.9
67.05439	16.2
69.06984	4.4
71.08548	18.5
72.04427	39.1
73.02815	4.0
78.03721	4.4
79.31637	2.2
81.06975	18.0
83.08531	11.4
85.06452	10.8
85.10123	4.8
88.02143	27.2
95.04900	2.7
95.08527	21.3
96.08124	2.2
97.10076	2.7
98.98405	12.1
99.05518	19.1
102.03710	3.3
109.10110	3.7
113.05957	4.8
114.03689	10.9
124.07539	20.8
129.71495	2.3
130.08560	6.7
132.04742	35.9
135.75516	1.9
142.08603	47.0
158.02737	2.5
159.05878	20.5
166.08588	3.5
173.47586	2.1
175.05330	7.6
183.04196	9.9
184.09653	20.8
213.84700	2.2
243.11580	8.2
247.09535	2.0
261.12625	81.4
337.27417	3.0
359.10416	23.1
387.30136	2.2
430.31729	2.1
496.18155	2.2
499.35550	100.0
500.35504	3.5
526.80542	2.3
531.33356	2.2
597.32935	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3331
Annotation	hexadecanoyl-4'-phosphopantetheine
Peak:m/z	Relative Intensity
55.05440	4.4
57.07009	32.3
61.01070	8.0
67.05400	15.8
69.06982	9.0
71.08530	24.3
72.04433	41.1
79.44545	3.0
80.75069	3.9
80.75568	3.7
81.06962	18.8
83.08528	5.5
85.06450	7.2
85.10086	16.6
86.09623	5.2
88.02131	44.6
95.08517	14.5
98.98400	15.6
99.05510	17.3
102.03676	5.1
109.10137	6.3
112.07617	4.3
113.05964	6.7
114.03678	18.5
124.07556	22.5
128.10043	3.6
132.04753	29.8
142.08591	52.4
153.06633	3.6
159.05798	16.6
175.05266	6.9
184.09691	21.6
243.11539	7.3
243.33272	4.1
261.12604	72.6
359.10303	19.1
499.35559	100.0
500.35989	6.8
597.33258	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	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97091	0.6
53.03886	1.9
55.01800	1.4
55.05452	0.9
57.03357	1.5
60.75094	0.8
61.02846	2.0
65.53062	0.7
65.56161	0.7
66.26103	0.7
69.03358	8.0
70.06487	4.3
71.29432	0.8
73.02831	0.8
74.66846	0.7
78.04608	0.9
79.05402	8.0
81.03333	27.4
81.06943	0.9
84.08047	1.6
85.02818	20.2
91.05399	7.2
95.04856	3.6
97.02814	7.2
99.04392	1.0
103.05402	3.6
105.06962	4.8
107.04900	15.7
109.02809	4.8
110.07106	1.7
114.96959	0.8
115.05424	13.5
117.06969	32.6
119.04903	1.6
119.08527	1.2
121.06444	1.1
123.04389	7.2
124.03928	1.0
124.05157	5.0
125.05945	1.9
127.03849	5.4
128.06174	0.9
129.03047	0.9
129.06938	4.5
130.04166	1.0
131.04872	3.1
131.08528	5.0
133.06424	3.8
133.10062	0.9
135.04330	1.1
141.06944	1.6
143.04884	1.6
144.05667	7.0
145.02792	1.0
145.06462	77.3
146.05974	12.7
147.04356	6.3
147.08012	3.5
149.05991	0.9
151.03845	0.9
152.04602	1.6
153.05469	1.8
155.06023	6.4
155.07077	1.1
156.05655	14.7
157.06398	4.2
158.07196	0.9
159.08022	12.3
160.05260	1.3
161.05977	9.4
162.05466	11.3
163.05836	1.3
167.06998	81.5
168.07271	0.9
173.05946	100.0
174.06343	1.4
175.03925	1.3
175.07495	4.4
177.05487	3.3
180.08592	3.6
184.05174	3.6
187.07472	9.0
190.06219	62.2
191.06877	5.0
193.08553	3.7
197.06023	1.0
202.06232	10.0
203.06981	10.2
204.07671	1.3
205.08562	95.3
206.08881	1.2
207.06523	4.5
217.08565	60.9
218.09229	1.0
218.11670	0.9
219.08206	1.5
219.10185	5.7
223.09633	3.9
231.08116	1.3
235.09590	26.9
239.25192	0.9
247.07326	3.1
247.09607	9.6
248.08183	3.7
249.08899	1.0
263.06982	0.9
263.10553	1.5
264.07700	1.8
265.10669	37.7
266.03308	3.1
269.08038	1.7
271.09503	1.4
279.10089	1.7
282.02698	4.7
291.10098	1.9
293.07861	1.2
299.09064	1.5
307.09427	1.2
308.10141	1.1
315.08524	5.8
319.09329	1.6
323.12561	1.3
330.10904	7.7
331.11673	4.8
339.12079	1.4
351.12103	3.7
353.10138	0.9
371.14786	1.9
383.14835	14.0
401.15997	13.5
598.18536	3.6
598.66675	6.6
599.16217	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34000	4.0
53.00248	4.7
53.03885	7.4
54.81782	3.5
55.01800	19.9
55.05445	7.3
57.07014	60.8
57.98257	3.6
67.05421	21.1
69.03340	38.0
69.06984	4.9
70.17449	4.2
71.04895	18.2
71.08559	38.5
73.02822	7.2
81.02971	4.3
81.03348	59.6
81.06966	24.0
83.08533	18.2
84.04429	14.9
85.02805	27.6
85.10088	17.7
92.64231	6.1
95.08521	28.7
97.02828	56.9
97.10078	7.7
99.04379	99.6
109.02840	65.1
109.10085	9.3
111.72786	4.2
112.02957	3.9
127.03868	100.0
130.04959	6.6
145.04878	20.4
239.23647	9.8
271.09622	4.6
383.27750	45.8
401.28836	67.1
402.29135	5.4
430.18564	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	598.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36913	1.1
53.00241	1.9
53.03881	7.9
55.01811	14.6
55.05450	9.6
57.03374	15.9
57.07011	66.0
61.02848	5.0
66.11601	1.2
67.05424	16.0
69.03349	76.0
69.06980	12.5
71.04902	2.8
71.08549	46.1
73.02828	6.2
76.55997	1.1
77.53587	0.9
81.03335	52.5
81.06965	23.5
82.09917	1.0
83.08528	15.9
83.09305	1.1
84.04417	8.3
85.02829	100.0
85.09642	1.4
85.10104	25.4
86.03133	1.7
87.04391	1.2
92.10110	1.7
95.07960	1.8
95.08531	34.3
97.02228	2.0
97.02827	51.7
97.10088	7.3
99.04383	16.3
99.11672	1.3
101.02319	9.0
108.04412	1.2
109.02829	31.8
109.10088	18.2
115.03908	2.1
123.11621	8.5
127.03873	71.2
130.04941	2.7
137.13232	1.9
145.04955	21.3
148.06046	2.3
163.05898	1.2
180.08649	2.4
221.22618	1.6
239.23628	22.4
252.40675	1.3
257.24814	4.6
333.51779	1.3
383.27814	42.4
384.28043	2.2
401.28873	78.9
402.29153	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32009	1.0
67.05422	1.1
67.14028	1.1
72.34784	1.2
73.74803	1.2
92.10943	2.2
92.36661	1.2
99.51853	1.3
161.90558	1.3
415.96722	1.5
442.12860	1.3
598.47961	100.0
599.48566	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	599.3187
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
52.68857	0.6
53.00245	0.7
55.05192	1.2
55.05452	31.3
57.03371	12.8
57.07013	15.2
59.04924	0.6
59.93587	0.6
67.01427	0.5
67.05083	0.7
67.05429	20.9
69.06987	41.8
70.07307	0.6
71.04901	1.0
71.08537	5.2
77.53306	0.5
79.05408	8.2
81.03330	4.0
81.06508	1.0
81.06972	23.8
83.08539	27.4
85.10117	2.6
86.63632	0.5
91.05387	1.3
92.05758	0.6
93.06966	12.7
95.08530	22.9
97.06455	2.9
97.10097	13.4
98.98398	31.2
107.08552	6.4
109.02815	3.1
109.10105	8.4
111.08011	1.5
111.11657	3.4
118.35825	0.6
121.10095	10.7
123.11654	2.8
125.09529	0.9
135.11649	7.8
145.81857	0.6
149.13213	2.9
151.14769	0.9
155.01012	13.9
163.14774	1.1
165.36250	0.7
173.02191	1.0
174.55817	0.6
200.42944	0.6
247.24115	1.4
265.25195	4.9
317.06241	1.2
333.90530	0.6
339.28867	100.0
340.29236	5.8
419.25397	0.7
423.61746	0.7
427.30588	0.9
563.29565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	1.3
53.03876	0.6
54.09021	0.5
55.01788	0.6
55.05450	34.1
56.84076	0.5
57.03373	19.8
57.07011	17.5
67.05079	0.9
67.05428	20.5
69.06989	48.9
71.08541	6.8
73.06447	0.9
79.05409	11.4
81.03338	2.3
81.06976	23.9
83.04900	0.7
83.08537	25.2
85.10101	2.8
91.05422	1.3
93.06970	13.8
94.04378	0.7
95.07957	1.1
95.08532	21.0
97.06467	4.8
97.10095	13.5
98.98397	13.5
107.08522	9.8
109.02817	1.3
109.10107	9.8
111.08040	1.1
111.11682	3.1
112.48114	0.6
118.68064	0.6
121.10105	9.4
123.11660	2.9
135.11668	7.1
137.13220	1.0
139.11139	1.1
141.37422	0.7
149.13211	3.2
155.00996	5.6
163.14812	0.7
172.63596	0.8
247.24135	1.4
265.25244	1.3
339.28882	100.0
340.29178	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	599.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02765	0.2
57.06997	0.8
67.05423	0.8
69.06983	1.0
73.44873	0.2
74.57224	0.2
79.05388	0.2
81.06958	0.9
89.20658	0.2
90.63195	0.2
91.05418	0.2
91.46495	0.2
92.64703	0.2
93.06942	0.2
94.04092	1.2
95.08556	0.4
109.10116	0.5
113.09991	0.2
114.09109	0.2
122.03595	5.1
133.10001	0.3
135.11653	0.5
137.05949	100.0
138.06293	1.2
141.12695	0.3
153.12694	0.3
162.53275	0.2
170.15367	0.9
182.15367	1.7
226.33078	0.2
228.36899	0.2
293.71906	0.2
294.20514	1.6
306.20468	3.6
375.24420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81345	0.4
55.01812	0.4
55.05452	0.4
56.04980	0.3
65.03864	1.7
67.05410	0.5
69.03345	0.5
69.07001	0.4
70.06513	1.5
72.08075	0.6
79.05420	4.2
81.06992	0.9
88.11732	0.3
89.03837	0.6
91.05412	22.5
92.10910	0.5
95.04903	0.7
107.04910	8.3
109.06480	0.4
117.03324	1.8
117.06907	0.6
119.04905	52.4
120.05279	0.4
120.08073	4.3
123.04440	0.5
124.05202	0.9
125.05977	0.7
126.18749	0.3
128.06215	0.4
129.07008	0.8
133.06465	0.9
137.06046	0.6
141.06979	1.8
144.05690	0.6
145.02835	6.7
145.06456	0.5
146.06050	1.4
147.04399	100.0
148.04726	1.6
149.05930	1.5
152.04611	0.5
152.57880	0.5
155.04919	0.4
156.05638	0.8
157.06474	0.7
158.07262	1.5
158.44649	0.5
159.08061	1.7
162.05493	0.4
167.07019	14.5
170.07254	2.3
170.23204	0.4
172.05176	0.4
172.74815	0.3
173.06023	0.4
177.05435	8.4
185.05887	0.5
186.06729	2.3
187.07538	2.2
188.08328	0.4
189.07085	0.3
191.08456	0.7
193.08492	0.6
200.08275	0.5
201.09064	2.5
202.07748	0.5
202.99118	0.4
203.08646	0.5
205.06552	0.5
205.08464	0.5
217.08574	1.9
219.08075	3.5
220.08820	1.6
229.08563	2.2
230.07176	0.6
231.08040	1.9
231.10185	3.4
232.08734	0.5
233.09665	0.5
234.06885	0.7
236.08276	0.6
245.09679	0.8
247.07501	4.4
248.08214	2.9
249.08980	1.2
251.06876	0.6
251.10666	0.6
259.07574	0.9
260.08234	0.7
261.05258	0.5
261.09009	0.6
262.09851	1.9
263.06912	0.5
263.10693	1.7
264.07794	0.9
265.08530	1.7
275.07025	1.8
276.07935	2.5
277.08542	2.4
279.06555	0.8
279.09933	0.5
290.09296	0.9
291.07288	0.4
291.10117	3.5
292.07205	2.2
293.08008	3.7
294.08774	1.5
305.08038	1.3
305.11533	0.7
307.09644	2.4
308.10483	1.5
309.11111	0.9
310.08392	0.4
319.09677	1.8
323.12726	1.8
325.10760	0.5
335.09113	0.6
336.09882	1.3
337.10757	2.6
338.07800	0.6
350.11438	1.6
351.12375	3.4
352.13077	0.5
353.10031	4.2
368.12518	4.3
383.14822	35.7
384.15231	1.9
401.15967	1.6
406.14911	0.4
508.59641	0.4
517.18176	0.6
547.19678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.5
55.90119	0.4
60.11712	0.5
65.03854	1.0
67.05435	0.6
73.91601	0.4
76.02139	4.1
77.75460	0.4
79.05403	4.5
81.03328	0.6
81.06982	0.9
84.04417	1.0
91.05404	19.6
93.06950	0.8
95.04890	1.8
95.08536	0.7
105.06963	1.7
107.04901	8.0
107.08547	0.8
116.01643	0.9
117.03299	0.5
117.06943	0.6
119.04891	45.5
119.08553	0.5
120.05231	0.6
123.04372	0.7
124.05157	1.9
125.05946	0.8
130.06467	0.8
131.08533	0.8
144.01051	0.6
144.05693	1.7
145.02782	2.0
146.05992	3.9
147.04387	100.0
148.04712	1.9
149.05905	0.6
156.05667	0.9
159.08015	1.8
162.02113	0.9
162.05449	3.4
167.06995	24.5
170.07082	0.5
177.05420	2.5
179.04852	2.1
187.07486	1.9
203.08530	0.7
205.08537	0.9
207.95227	0.4
215.06920	0.8
217.08565	5.4
219.07968	0.5
219.10202	0.5
229.08688	0.7
247.07384	0.9
247.09628	1.0
248.08226	2.0
250.22368	0.5
261.08975	1.0
263.10693	0.9
264.07672	0.5
265.08594	0.6
271.09836	0.6
275.06885	0.7
276.07837	0.5
277.08643	0.5
279.10031	0.6
287.70978	0.4
291.10086	1.7
292.07434	0.6
293.07977	0.7
307.09589	1.8
308.09619	0.8
319.09518	0.6
323.12778	0.6
331.11597	0.9
336.09866	0.9
337.10751	1.7
351.12161	1.8
353.10245	0.5
368.12402	1.0
371.14850	0.5
383.14798	11.1
385.12897	0.8
391.01996	0.5
401.15787	2.5
418.26981	0.5
600.29443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75918	0.2
53.03887	0.6
61.27089	0.3
69.03349	0.6
70.06505	1.9
72.08071	6.4
81.03335	2.9
84.04419	0.5
84.36232	0.3
85.02835	1.2
86.09615	0.4
89.03835	4.9
89.10718	3.1
91.05377	1.2
97.02818	2.1
98.05981	0.7
99.04357	0.5
101.30589	0.3
109.02840	5.1
115.08651	0.7
117.03333	18.6
118.06465	0.3
119.04910	1.4
127.03898	0.6
128.04898	2.6
130.06438	0.3
131.04861	0.4
132.04372	2.1
134.03612	0.5
135.04353	2.1
145.02829	65.1
146.03149	1.7
146.05991	100.0
147.04410	4.6
147.06323	2.4
149.05960	8.3
162.05466	3.4
163.03838	0.6
167.07010	1.7
167.70241	0.3
174.05460	9.5
177.05438	92.3
178.05742	1.7
179.60446	0.3
186.05510	0.7
192.06546	4.3
204.10220	0.7
227.09082	0.3
230.29622	0.3
246.07605	0.7
248.12798	4.8
265.15424	33.2
266.15677	0.5
282.02957	0.3
300.08624	0.6
307.16364	1.3
318.09708	0.6
324.96359	0.3
356.60831	0.3
536.13403	0.3
546.22516	0.3
600.25342	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	600.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15751	0.6
54.81591	1.1
58.06559	0.7
66.01983	0.8
69.03342	0.8
70.06525	1.5
72.08073	11.6
84.08069	1.6
86.09618	1.1
89.03860	0.9
91.05405	11.5
112.11196	4.4
117.03317	1.6
119.04901	23.8
120.08078	3.7
129.13861	1.9
133.61858	0.8
135.04396	4.1
144.69748	0.9
145.02797	7.3
146.05962	6.7
147.04391	100.0
148.04776	1.9
155.11780	1.1
162.05441	3.4
163.03876	32.5
177.05453	3.3
203.11789	4.1
204.10165	42.6
204.12027	1.8
205.10448	1.6
220.09662	6.5
231.13727	1.1
233.12775	1.1
234.11227	4.0
275.17438	5.3
277.61639	0.8
287.33499	0.9
291.17032	1.2
292.20190	3.8
308.19601	6.5
436.22223	11.9
438.23837	6.7
454.23309	31.5
455.23581	2.1
584.37354	1.0
600.26654	2.1
600.40375	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	600.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00190	0.3
53.03881	0.5
55.01803	0.5
55.05444	0.5
64.31469	0.4
65.03853	0.8
69.03338	0.8
70.06516	5.3
71.04896	0.4
71.46441	0.4
72.08076	9.1
81.03330	4.1
81.06953	0.4
81.54555	0.4
83.04897	0.7
84.08074	8.7
85.02815	1.8
86.09641	0.7
89.03844	1.4
89.10698	1.5
91.05402	10.2
95.04883	0.6
97.02803	1.6
98.09617	0.8
109.02822	1.8
110.05994	0.5
110.07135	0.5
110.09620	2.0
111.04399	4.0
112.07510	0.6
112.11190	2.3
114.09131	4.1
117.03310	4.0
119.04898	23.7
120.05232	0.7
124.07650	0.4
126.09142	0.8
128.04880	0.5
129.13826	1.4
131.04716	0.4
134.03581	0.5
138.09103	0.5
144.10175	1.9
145.02818	13.7
146.03227	0.5
146.04820	0.5
146.05989	22.2
147.04393	100.0
148.04752	1.8
149.05977	2.3
150.09106	11.3
150.29597	0.5
151.09482	0.5
154.08624	1.5
155.11838	0.5
156.10121	0.7
161.05997	0.6
162.05460	2.5
162.09134	0.9
163.03949	0.4
174.05446	2.2
177.05440	27.6
178.05820	1.0
180.10170	14.6
192.06610	0.6
198.11194	8.7
203.11766	1.8
204.10175	45.3
205.10429	0.6
207.06503	1.8
216.12274	7.8
218.11743	0.8
220.93132	0.4
234.13332	1.8
248.12868	0.6
249.11105	0.5
264.02103	0.4
265.15417	6.3
273.15948	5.1
275.17548	5.4
292.20059	1.7
370.21161	1.9
382.21149	2.5
400.22287	2.6
418.23154	0.8
421.21100	0.5
436.24365	0.6
438.23691	3.6
516.24866	11.2
517.25018	0.7
528.24969	3.4
546.25891	13.0
547.26276	1.5
564.26758	2.4
582.28149	6.7
600.29089	13.3
601.27301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12716	0.1
56.04975	0.1
58.06529	0.2
59.98322	0.1
65.03853	0.6
66.33173	0.1
69.03333	0.5
70.06522	0.5
72.08068	13.7
73.02816	0.1
73.08379	0.1
75.09148	0.1
81.03316	0.1
83.25082	0.1
84.04427	0.2
84.08059	0.9
85.02840	0.3
86.09623	0.2
91.05402	7.3
95.04919	0.1
95.40657	0.1
97.02823	8.0
98.03168	0.1
101.07077	0.1
107.04918	0.1
109.02847	0.1
112.11195	1.4
113.07056	0.1
119.04893	24.0
120.05215	0.4
121.02818	1.3
127.03885	0.1
128.24323	0.1
129.13844	0.6
130.06499	0.3
145.02827	0.3
146.05995	0.2
146.16444	0.1
147.04384	100.0
148.04721	2.2
151.03888	0.1
155.11772	1.2
165.05528	0.1
172.14351	0.3
176.10721	0.4
177.05449	0.7
203.11763	4.2
204.10167	34.2
205.10529	1.1
217.04997	0.3
218.11720	1.6
221.12846	0.4
235.06013	0.1
274.19037	2.1
275.17426	2.3
275.20029	0.1
292.20102	1.6
293.20496	0.1
318.17981	0.4
323.09372	0.1
366.15353	2.4
367.16107	0.1
383.18246	0.6
421.21371	0.2
436.24313	1.4
437.22772	1.8
438.23767	1.4
454.25366	8.0
455.25745	0.2
529.22119	0.3
583.26215	0.9
600.29028	25.0
601.29395	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	2.0
55.01803	2.9
55.05444	11.9
57.03370	1.8
57.07001	20.4
58.85613	1.8
59.04936	3.4
60.79056	1.9
67.05422	20.9
67.13863	2.0
69.03339	14.2
69.06978	11.7
71.04880	2.1
71.31886	1.9
79.05412	23.3
81.06969	33.4
83.04894	10.8
83.08528	2.3
85.06463	9.5
87.04383	2.3
89.05965	24.6
91.05403	46.9
92.06171	3.3
93.06966	64.7
95.04893	14.5
95.08532	38.8
97.06454	9.2
99.08007	2.1
103.05397	2.3
103.70604	2.2
105.06969	70.2
107.08537	32.6
109.06467	19.8
109.10111	11.2
111.12992	2.1
117.06972	22.4
119.08532	100.0
121.06451	12.3
121.10098	27.0
122.71687	2.1
123.08027	26.9
125.05922	17.7
128.06219	4.5
129.06934	16.3
130.07755	4.7
131.08548	36.1
132.09317	3.1
133.06418	9.6
133.08565	11.7
133.10104	35.1
134.10866	3.7
135.08037	26.7
135.11624	4.5
137.09584	14.9
141.06879	4.4
142.07719	18.4
143.08548	41.1
144.09299	10.7
145.10104	61.3
147.08011	39.0
147.11667	11.5
149.09604	20.6
151.07520	14.3
154.07747	2.7
155.08485	16.7
156.09319	15.9
157.10107	45.2
158.10669	3.2
159.07991	4.1
159.11658	38.9
160.08791	3.6
161.09555	16.8
161.13287	8.0
163.07466	2.4
163.11168	22.5
165.09094	48.6
168.09264	3.3
169.10103	22.3
170.10905	4.8
171.11670	17.0
173.09593	11.8
173.13266	10.2
175.11169	21.2
176.11781	2.9
177.11179	3.5
177.12697	3.3
179.08424	2.1
180.09250	3.3
180.11320	2.7
181.10094	13.1
181.12146	18.4
182.10817	5.5
183.08104	2.8
183.11676	20.3
185.13228	15.9
187.11102	4.9
189.12732	11.7
190.13454	5.0
191.10579	8.9
193.10036	3.7
193.12212	18.0
194.10875	2.9
195.11630	13.2
197.13226	14.1
199.11122	13.3
199.14778	3.0
201.12679	13.0
203.14247	24.6
205.10118	2.3
207.11658	9.2
207.13757	13.5
208.14513	4.7
209.13289	4.4
211.11166	4.4
211.14807	4.9
213.12753	3.8
215.14227	4.3
216.15016	2.2
219.13786	13.0
221.15331	65.0
222.15686	2.5
223.14880	4.7
225.12701	5.1
225.16364	2.5
227.14224	3.0
233.13226	2.9
233.15341	3.3
234.16093	14.5
239.17894	2.4
247.16887	18.9
253.15811	3.8
257.15521	2.5
259.16949	3.2
274.19162	9.2
281.19177	2.7
287.19955	4.4
299.19931	15.7
300.20578	2.5
307.20584	2.8
312.20721	9.6
313.21533	11.8
325.21548	18.6
337.21506	3.5
339.23004	4.6
340.23944	23.4
352.23816	29.8
365.24557	9.7
379.26132	3.9
413.26822	8.2
415.25107	3.9
425.26584	13.9
426.27444	5.1
427.28369	17.2
440.29099	61.8
441.29172	3.8
507.34918	2.7
520.35626	49.6
521.35211	3.3
600.41089	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78349	2.6
54.81739	2.7
55.05442	18.9
57.07007	21.9
59.04925	3.9
59.86773	2.7
65.15836	3.2
67.05424	17.5
69.03342	6.5
69.06970	12.6
72.68991	3.7
79.05415	29.7
80.06151	3.1
81.03330	3.4
81.06989	32.9
83.04893	8.4
85.06464	5.9
87.04391	3.3
89.05965	32.5
91.05393	51.9
92.10304	4.4
93.06973	68.8
94.07774	3.9
95.04890	19.6
95.08524	31.8
95.15327	3.3
97.06454	7.1
97.30038	3.3
103.33076	3.2
105.06973	82.1
107.08534	29.9
107.46123	3.1
109.06464	12.7
109.10106	5.6
117.06948	30.9
119.07690	3.5
119.08534	100.0
121.06483	4.5
121.10086	31.7
123.08009	23.0
125.05940	19.0
129.06938	13.1
130.07767	4.2
131.08516	44.1
132.09332	5.7
133.08556	17.0
133.10097	38.8
135.07991	24.1
135.11674	13.3
137.09619	27.9
141.06917	5.1
142.07735	14.7
143.08553	37.5
145.10100	66.5
147.08023	47.4
147.11671	15.0
149.09573	19.6
151.07466	13.9
155.08516	18.9
156.09343	6.2
157.10092	42.6
158.10867	8.1
159.08011	7.2
159.11595	39.4
161.09586	15.8
161.13188	5.0
162.10312	3.7
163.11111	28.6
165.09076	65.6
167.08562	5.3
169.10085	22.9
170.10760	5.2
171.11668	23.5
172.12540	3.5
173.09642	5.9
173.13139	5.3
175.11134	33.7
179.08478	4.5
181.10065	14.5
181.12189	14.3
182.10904	4.9
183.11626	17.2
185.09599	4.2
185.13206	8.6
187.11131	5.3
189.12711	7.6
193.12231	19.5
194.10905	4.5
195.11661	16.5
197.13162	7.8
199.11115	6.6
201.12793	8.5
203.14304	27.0
207.11717	5.0
207.13713	8.5
208.12538	4.3
208.14462	8.3
209.13239	8.6
211.14903	6.0
213.12743	4.5
221.13272	7.9
221.15312	84.3
223.14861	5.6
228.50633	3.6
229.15814	5.5
233.15405	4.6
234.16142	18.1
237.12688	3.7
247.16876	18.5
251.14151	4.1
259.16904	3.9
274.19110	5.8
287.19965	7.5
299.19952	22.8
312.20914	4.9
313.21494	7.4
325.21518	21.3
326.22174	5.2
339.23203	6.7
340.23798	26.4
352.23917	33.8
365.24454	5.6
379.26505	4.0
413.26666	4.2
425.26617	16.7
427.28116	20.8
440.29166	77.0
520.35419	53.0
585.38989	5.7
600.41187	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03287	0.7
53.03884	0.8
55.01816	1.8
55.05447	8.1
57.07017	0.7
57.52473	0.7
58.99523	1.8
64.33295	0.8
65.03854	0.8
67.05075	1.2
67.05423	25.2
67.58798	0.7
69.06982	11.2
71.04921	1.2
74.00572	4.7
75.34564	0.7
76.02140	3.3
79.05405	11.0
80.04933	3.4
81.03329	3.3
81.06971	23.3
83.04890	3.3
83.06021	1.7
83.08551	1.8
84.04422	11.7
85.01053	0.9
86.00560	3.2
88.02114	1.0
91.05414	7.6
93.06966	14.7
94.06485	1.5
95.04892	3.8
95.08527	21.1
97.01051	3.4
97.06518	1.1
97.10124	1.2
98.00568	0.8
99.01343	1.6
100.02126	1.8
101.01794	0.8
101.35020	0.7
105.06944	4.6
107.08512	6.0
109.06443	1.3
109.10099	3.9
111.02697	1.0
112.02130	8.6
114.03709	8.5
116.01628	7.8
119.08524	3.8
120.08057	0.7
121.10105	4.2
124.11319	0.7
126.03695	3.7
129.06564	1.3
130.04926	1.3
131.08527	1.4
133.10110	3.8
135.11667	1.5
136.41588	0.6
137.09601	5.3
137.13249	0.8
138.03749	1.0
139.11214	1.0
142.46898	0.7
143.02699	0.8
144.01152	1.0
145.10118	1.7
145.77802	0.9
147.11653	1.3
149.13257	0.8
153.06523	1.0
158.07527	0.7
161.13185	1.6
162.02197	4.1
162.12770	0.9
163.05659	0.9
164.14348	1.2
165.12715	1.2
167.08833	0.9
169.04214	1.1
171.11714	1.0
174.19592	0.8
175.14751	1.0
179.14197	0.9
185.03654	2.6
187.05356	1.0
196.11516	9.2
210.13148	1.1
215.04796	4.5
216.05647	3.2
224.10983	34.6
225.11418	1.1
231.04219	6.2
233.05867	1.3
241.11252	3.1
242.12033	55.5
249.22116	1.4
269.10571	0.9
274.60489	0.9
277.21576	6.7
294.24152	1.3
295.22614	4.2
299.14206	1.0
309.18854	1.1
326.21573	1.4
334.21899	1.6
335.20367	3.5
344.13934	11.1
345.14453	1.5
352.22940	14.5
353.21219	1.2
367.73270	1.1
370.24020	7.2
392.37634	0.9
409.25089	1.2
455.25623	100.0
456.25851	4.1
458.54105	0.8
527.27582	4.5
602.30890	10.9
619.29779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81793	4.6
55.01813	11.6
55.05432	8.1
57.06998	6.0
58.99507	24.6
67.05418	23.7
69.06965	22.4
75.23936	4.0
76.02142	100.0
76.03924	5.3
79.05396	11.4
81.06979	23.3
84.04420	30.4
86.98935	4.8
88.02135	24.3
91.05426	8.9
92.10237	5.6
93.06953	21.5
95.04881	7.3
95.08524	12.0
107.08537	8.0
109.10112	6.3
116.01612	34.8
119.08513	7.8
123.08077	7.6
130.04955	7.2
137.09595	5.7
139.11203	6.0
142.03143	10.9
143.04822	4.8
149.02327	11.5
162.02171	19.2
170.02728	7.9
173.11678	5.7
177.05496	5.9
179.04793	16.8
187.05377	8.2
233.05832	10.7
277.21530	22.5
295.22626	21.2
308.09219	5.7
352.22867	11.5
370.25595	7.7
455.25589	28.1
464.26218	5.5
473.26328	11.2
568.12396	5.5
602.30713	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44716	1.2
67.57671	1.2
69.03362	1.7
70.06509	5.6
72.08053	2.0
81.03342	2.6
84.04467	1.9
84.08078	4.7
85.02837	4.9
86.09641	2.0
91.05399	2.5
97.02834	5.1
106.02829	1.8
109.02837	4.8
118.45895	1.3
119.04852	1.7
120.08026	1.5
121.02814	1.6
124.03929	7.9
124.31141	1.2
127.03844	1.5
129.10204	1.5
131.37730	1.4
139.42178	1.2
145.02815	9.5
146.05983	28.3
147.04387	6.6
150.05502	6.5
162.05457	23.6
163.05911	1.2
167.06950	1.3
173.01138	1.2
174.05492	2.3
177.05438	10.9
190.04913	1.7
192.06511	1.4
227.06831	1.3
282.03006	2.3
308.08835	1.3
440.14401	1.3
441.14792	2.0
454.22430	1.3
603.20374	100.0
604.20331	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	603.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14096	0.1
56.03290	0.1
56.04921	0.1
63.02298	0.3
69.03349	0.3
70.06518	0.6
72.07708	0.3
72.08074	4.2
77.11623	0.2
81.03333	1.7
85.02834	0.3
89.03837	5.8
89.10719	1.8
91.05433	0.3
92.10183	0.3
95.04887	0.2
97.02824	0.3
98.05975	0.3
103.05399	0.3
107.38233	0.2
109.02833	0.8
113.04824	0.2
113.18073	0.2
115.08623	0.4
117.03332	24.9
118.03652	0.7
119.04894	0.6
124.03922	0.3
127.03916	0.2
134.03580	1.4
135.04388	2.5
145.02831	78.6
146.03154	2.3
147.04430	1.1
149.05969	9.7
150.06306	0.2
162.05496	0.3
163.03824	0.7
177.05441	100.0
178.05792	3.7
186.05431	1.0
195.06346	0.2
246.11250	0.2
248.12830	3.3
265.15424	19.4
266.15714	0.8
321.09781	1.6
339.10593	1.4
355.16287	0.3
379.62982	0.2
394.93533	0.2
396.60287	0.2
427.20251	0.2
441.19946	0.3
469.93027	0.2
492.42697	0.2
540.64124	0.2
603.25378	4.2
604.25580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86591	0.1
63.02279	0.3
69.03342	0.5
70.06482	0.2
72.08066	1.7
75.44225	0.1
78.04626	0.2
79.05417	0.2
81.03330	0.2
81.92587	0.1
82.61519	0.1
84.04419	0.1
84.62631	0.1
85.02812	0.3
89.03831	7.6
89.10721	0.3
91.05402	0.8
92.10307	0.2
93.06954	0.1
95.04893	0.2
97.02808	0.2
103.05391	0.4
106.04110	0.2
109.02837	0.2
115.08656	0.2
117.03320	29.2
118.03643	0.7
119.04872	0.5
124.05171	0.3
129.47270	0.1
134.03581	1.4
135.04387	2.7
145.02815	81.7
146.03142	2.3
146.06007	0.7
147.04388	0.7
149.05946	10.9
150.06281	0.2
162.03069	0.4
162.05447	1.1
163.03876	0.7
177.05424	100.0
178.04341	0.2
178.05757	2.8
186.05426	1.4
187.05716	0.2
247.14325	0.7
248.12714	1.8
248.57898	0.1
265.15396	10.4
266.15765	0.5
282.02713	0.2
291.13318	2.3
410.17670	0.1
427.20667	6.4
428.20740	0.5
441.20087	7.2
442.20184	0.6
453.18433	0.2
495.05127	0.1
504.45709	0.1
562.92358	0.1
603.25494	1.5
634.17200	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3347
Annotation	Lys His Tyr Arg
Peak:m/z	Relative Intensity
55.05447	1.0
67.05431	0.7
69.07001	1.2
74.61812	0.7
81.06960	0.8
95.08588	0.9
107.08567	1.0
110.17705	0.5
121.50996	0.6
146.51712	0.6
202.41373	0.6
203.05222	5.8
220.83485	0.7
339.35159	0.6
401.22586	0.7
423.27115	15.1
441.28134	19.6
442.28616	0.8
603.33405	100.0
604.33551	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	604.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00221	0.1
53.03876	0.8
55.01802	0.3
55.05439	0.7
57.03366	1.0
60.04458	0.1
61.02846	0.4
63.60044	0.1
66.74463	0.1
67.55091	0.1
69.03348	3.5
70.06501	1.1
71.04926	0.6
72.08080	0.3
73.02831	0.4
73.06453	0.9
81.03334	5.6
83.04892	0.2
84.04408	0.7
84.08069	1.4
85.02345	0.2
85.02826	4.9
86.09610	0.8
87.04402	0.3
91.05402	0.3
95.04867	0.3
96.45343	0.2
97.02821	3.6
98.97443	0.2
99.04378	1.3
100.03767	0.2
101.02310	0.4
101.05962	1.4
109.02826	8.4
110.07108	0.3
111.04410	0.2
116.04906	0.3
117.03287	0.4
119.04880	0.7
121.02827	0.3
124.03879	0.2
127.03869	5.1
129.10179	0.3
134.05965	1.9
136.06142	0.6
144.04378	1.3
145.02797	1.8
145.04901	0.7
146.05980	3.4
147.04390	1.4
148.03888	0.8
149.04886	0.2
156.56941	0.2
158.05989	0.2
161.04634	0.2
162.05461	100.0
163.05833	1.8
174.05421	0.7
177.05428	1.9
181.08507	0.3
186.05484	0.9
190.04953	11.0
192.06479	0.2
204.06540	1.6
208.06017	8.0
212.06996	0.2
247.46698	0.2
250.07127	0.3
252.23134	0.2
262.07101	0.3
265.08618	0.2
270.07611	1.3
279.26935	0.2
280.08087	0.2
282.02713	0.3
298.07031	0.7
316.07977	2.5
334.09167	3.5
352.10193	2.6
370.11298	1.0
371.09647	0.3
389.10800	0.2
406.14569	0.7
407.11517	0.2
477.27203	0.2
478.13550	1.1
514.15375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.6
53.95906	0.3
55.01821	0.5
55.05437	1.2
56.04988	0.4
57.03378	0.7
61.02853	0.7
69.03349	5.3
70.06490	2.5
71.04891	0.6
71.45663	0.3
72.08067	1.7
73.02827	1.3
73.06459	1.2
74.05992	0.5
81.03336	9.0
84.04423	1.7
84.08069	1.6
85.02827	6.0
86.09612	0.4
87.04366	0.6
91.05399	0.6
92.04922	0.4
92.10127	0.4
95.04893	0.5
97.02815	5.2
99.04375	1.9
101.02370	0.4
101.05949	2.5
102.81210	0.3
107.04896	0.4
109.02145	0.6
109.02829	9.3
110.07128	0.8
111.04417	0.5
112.11182	0.3
115.88846	0.4
116.04909	0.6
116.07069	0.3
116.98504	0.3
117.03303	0.5
119.04883	2.1
120.05196	0.5
120.08060	0.4
121.05418	0.3
127.03877	6.4
128.15797	0.3
129.10190	0.6
130.06450	0.5
134.05981	2.2
140.04640	0.5
144.04391	1.4
145.02823	1.9
145.04921	0.6
146.06015	1.8
147.04382	5.6
148.03728	0.6
148.04799	3.7
149.04919	1.8
152.06964	0.5
162.05470	100.0
163.05852	1.9
167.06976	2.2
171.06503	0.5
177.05411	2.6
181.04915	9.1
186.05444	0.7
190.04958	12.1
204.06509	1.8
204.10191	0.5
205.10490	0.5
206.10818	0.5
208.06013	6.9
232.05994	0.4
241.77254	0.3
250.07065	0.4
270.07492	2.3
298.07077	0.5
316.08090	3.6
334.09180	3.2
352.10110	1.6
370.11374	0.4
478.13293	5.6
568.20435	0.6
603.29541	2.0
605.14636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72694	0.3
55.05458	0.9
57.07011	12.7
58.06531	1.0
62.06018	6.9
66.69746	0.3
71.08543	4.4
83.08530	0.7
84.44032	0.4
85.10096	1.0
88.77857	0.4
93.34587	0.4
97.10088	0.5
99.62008	0.4
105.59666	0.4
161.96321	0.4
164.73468	0.4
190.47862	0.4
212.23677	5.8
227.12737	0.5
230.24747	100.0
231.25101	2.8
273.60574	0.5
280.16562	0.4
415.22943	0.6
507.85110	0.4
563.41663	0.5
592.99188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	0.4
53.03883	3.4
55.01816	0.6
55.05455	0.5
55.17787	0.3
57.03379	1.8
61.02860	2.1
61.56530	0.4
67.05417	0.9
69.03355	14.3
70.06521	1.8
71.04914	4.8
73.02827	2.3
76.55680	0.5
79.05412	0.7
81.03339	14.8
81.03791	0.9
81.06950	0.8
83.04892	2.6
85.02831	67.9
86.03170	0.5
91.03885	0.6
91.05410	2.5
91.33736	0.4
93.06985	2.3
95.04881	2.1
95.08549	0.8
97.02827	15.9
97.06413	0.5
99.04390	44.7
103.03883	100.0
104.04206	0.6
105.06995	3.2
107.04913	0.5
107.08551	1.9
109.02834	14.6
109.06474	1.0
110.07126	0.6
111.04408	2.2
113.05949	0.8
117.06949	0.5
119.04897	0.5
119.08541	4.8
121.06459	1.1
121.10123	0.7
123.08024	0.8
124.03912	1.0
127.03880	92.4
128.04178	1.0
129.06927	0.7
130.07703	0.6
131.08522	3.4
133.06439	1.7
133.10098	1.9
135.08012	1.8
137.05988	0.7
143.08528	3.4
145.03030	0.8
145.04944	31.5
145.10098	2.7
146.05986	2.9
147.04385	0.9
147.08022	2.2
147.11649	0.6
149.05989	0.5
149.09601	2.1
151.07529	0.5
156.09274	0.5
157.10086	0.6
159.08009	2.2
159.11646	2.1
161.09570	3.9
162.05482	5.5
163.05994	36.2
165.09084	0.6
171.07928	0.7
171.11700	0.8
173.09650	0.8
173.13176	1.7
173.41286	0.5
175.07565	0.8
177.05449	1.6
183.11771	0.6
185.09532	0.5
187.06007	4.0
187.11191	1.9
189.09052	2.4
197.57751	0.4
199.11147	5.8
201.12617	1.3
205.07030	2.8
207.10146	1.9
211.11118	1.0
217.12199	2.7
229.12184	2.0
247.13235	7.9
253.06985	0.8
263.56561	0.6
263.78354	0.5
265.14304	5.8
271.08093	4.1
282.02744	1.9
289.09082	5.0
307.10196	12.4
472.70795	0.6
532.87714	0.5
535.21216	0.5
553.22168	2.5
571.24200	1.4
606.65857	1.8
607.15527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	1.8
53.03884	10.5
55.01805	6.9
55.05451	32.6
57.03362	5.1
57.07015	8.9
67.05426	58.6
68.85477	1.1
69.03343	6.7
69.06650	1.8
69.06989	35.3
71.04897	2.5
71.08543	12.8
71.19543	1.1
79.05415	44.8
81.03334	43.7
81.06511	2.4
81.06973	51.4
83.04906	11.4
83.08535	10.2
85.06445	6.1
85.10089	2.0
91.05407	32.8
93.06972	59.7
95.04890	34.1
95.07960	2.1
95.08531	39.3
97.06461	6.1
97.10091	6.1
99.08020	7.7
105.06971	25.3
107.04897	7.2
107.08542	22.7
109.06457	8.4
109.10110	23.8
111.07998	1.5
117.06973	7.2
119.08521	18.6
121.10094	20.0
123.07983	2.6
123.11642	7.4
125.09579	2.0
129.06976	2.3
131.08502	6.1
133.10089	17.8
135.08025	3.1
135.11671	11.5
137.09578	14.6
138.24710	1.4
139.11139	3.0
143.08510	2.0
145.10100	6.2
147.11681	10.6
149.09625	5.1
149.13206	5.7
149.23207	1.3
151.11150	25.1
157.09995	1.8
159.11646	6.1
161.13176	7.6
163.11179	4.9
163.14769	2.1
164.09531	1.3
165.12717	5.1
171.11662	1.7
173.13217	1.6
175.14882	2.3
177.12738	1.4
179.14296	6.3
185.13235	2.2
189.11270	1.4
203.12668	1.5
221.15428	1.7
231.21060	2.0
241.19572	1.6
246.05003	1.7
249.22093	4.9
259.20535	5.4
275.20062	11.4
277.21558	100.0
278.21970	3.1
279.23044	2.6
291.19308	1.5
293.20990	3.1
295.22614	56.6
296.22714	1.5
319.53644	1.4
542.17987	1.4
609.43127	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	4.0
54.06504	0.7
55.01807	3.7
55.05452	20.3
57.03361	1.3
57.07018	6.5
59.04904	0.8
61.01428	0.5
65.03863	0.9
67.05428	37.9
68.05766	0.9
69.03349	3.0
69.06985	20.2
71.04916	1.5
71.08553	12.4
73.06458	2.9
79.05408	26.6
81.03340	18.7
81.06973	31.8
83.04904	8.9
83.08542	8.2
85.06481	1.5
85.10107	5.2
91.04841	0.9
91.05405	17.4
92.10254	1.7
93.06973	38.9
95.04894	20.9
95.08534	28.2
97.06451	8.3
97.10106	6.8
99.08003	7.9
105.06975	12.9
105.78487	0.8
107.04918	4.3
107.08535	22.8
107.09211	1.3
109.06447	5.7
109.10108	15.5
110.82159	0.7
111.04391	0.9
111.08062	1.7
113.09590	5.9
117.06968	3.6
119.08532	11.8
121.06491	0.8
121.10091	17.7
123.08032	4.9
123.11671	4.1
125.09602	1.0
129.07016	1.4
131.08568	3.3
132.56216	0.8
133.10100	9.8
135.11674	10.8
137.09590	11.8
137.13237	0.9
139.11067	2.2
143.08508	1.5
145.10107	3.3
147.08092	0.8
147.11696	5.3
149.09621	2.8
149.13263	5.0
151.11147	10.2
155.38493	0.8
157.10085	1.4
159.11679	3.3
161.13275	6.0
163.11145	1.3
163.14728	1.4
165.12700	11.7
171.11662	3.2
173.13191	0.9
175.11128	1.1
175.14819	3.2
177.16322	1.2
179.14272	16.2
181.12219	1.6
185.13206	1.4
191.14272	1.0
193.15938	1.0
195.13745	1.0
199.14850	0.8
207.13684	1.6
221.15356	1.5
225.14787	1.0
231.21046	4.8
241.19467	4.5
249.22052	5.3
259.20419	4.5
275.20016	1.5
277.21567	100.0
278.21863	1.3
293.21051	1.0
295.22617	68.6
296.22949	1.5
322.95181	0.8
435.72076	0.8
437.50229	0.7
616.01685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61441	1.8
53.03894	9.1
55.01801	10.3
55.05226	2.9
55.05450	54.4
55.48818	2.1
57.03365	4.6
57.07008	10.8
65.03837	2.3
67.05077	3.4
67.05427	100.0
69.03328	8.2
69.06985	70.8
71.04906	4.0
71.08543	13.8
75.39119	2.3
79.05406	77.5
79.41414	2.2
81.03330	34.6
81.06971	91.5
83.04901	12.8
83.08532	17.5
85.06454	4.1
91.05399	59.6
93.06968	90.1
95.04891	48.0
95.08523	64.9
97.06454	11.2
97.10091	14.3
99.08034	4.2
105.06976	52.6
107.04900	13.4
107.08535	43.7
109.06432	5.4
109.10121	31.0
111.07995	2.5
111.11703	3.6
117.06977	19.6
119.08537	35.1
121.06402	2.2
121.10094	43.3
123.08013	4.6
123.11652	5.1
129.06973	8.2
131.08542	24.6
133.10094	33.8
135.08008	3.7
135.11662	15.7
137.09615	21.0
139.11140	16.2
143.08487	9.0
145.10104	11.4
147.11653	22.4
149.09610	9.0
149.13248	5.6
151.11192	17.7
157.10089	4.3
159.11678	11.9
161.13220	15.4
163.11096	4.7
163.14790	2.7
166.12978	2.4
171.11629	5.4
173.13129	4.3
183.11479	2.4
185.13222	2.6
192.53329	2.3
203.12782	3.3
221.15346	4.6
223.13274	2.6
237.14816	2.7
239.17815	2.3
247.71552	2.2
275.20004	49.8
277.21576	91.0
277.87070	2.4
278.21884	4.1
282.07324	2.3
293.21091	22.4
295.22626	65.0
301.21466	2.4
371.29507	3.3
553.42236	3.8
571.43817	3.8
606.42828	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	606.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75636	2.0
53.00252	2.4
53.03874	3.0
55.01803	6.3
55.05455	42.9
57.03372	4.0
57.07008	5.9
67.05431	87.4
69.06989	49.9
71.04885	3.8
71.08541	4.7
72.98684	2.7
73.87963	2.4
74.39300	2.3
75.44811	2.2
79.05407	76.0
81.03335	4.4
81.06973	67.2
83.04918	5.3
83.08546	10.7
91.04841	3.3
91.05408	94.8
93.06976	100.0
95.04871	15.5
95.08535	59.9
96.48410	2.4
97.06457	11.8
97.10114	11.2
99.07983	3.3
105.06973	88.4
107.04886	4.6
107.08533	40.0
109.06459	5.0
109.10133	22.8
117.06968	23.1
117.07678	2.7
119.08532	81.3
121.10119	33.3
123.08017	4.4
128.06155	3.5
129.06972	12.4
131.08543	32.5
133.10107	57.9
135.11707	18.9
137.09595	13.9
139.11157	5.9
143.08533	21.2
145.10110	17.0
147.11670	50.5
149.13248	11.4
151.11145	3.4
157.10095	11.8
159.11639	18.1
161.13266	25.1
165.12675	3.5
171.11636	13.6
173.13237	12.1
175.14755	5.0
179.14122	2.8
185.13188	9.5
231.21086	4.7
234.95587	2.5
241.19417	25.6
249.22287	2.9
259.20532	84.6
261.22205	3.6
275.19925	12.7
277.21570	34.0
278.21960	3.0
286.89792	2.8
293.21088	11.3
295.22610	17.9
535.41364	5.3
553.42303	5.2
560.96283	3.1
571.43390	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	606.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81466	14.9
55.05445	20.5
60.53248	15.3
64.32852	17.3
65.98203	15.3
67.05415	35.2
73.77222	16.5
75.00662	17.3
76.50732	16.8
76.71379	17.5
79.36230	14.8
81.06953	19.0
88.63811	18.7
89.05965	22.6
91.05359	18.7
92.11011	19.5
93.06936	19.5
161.23207	15.2
277.21469	100.0
292.38071	16.9
295.22589	87.6
338.38870	18.6
338.78418	19.8
385.30389	20.3
387.44333	18.2
449.26804	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	607.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50201	0.2
53.03876	0.4
55.01788	0.3
55.05441	0.3
62.14254	0.2
63.02284	0.2
65.03854	1.4
67.05433	0.9
69.03323	1.5
70.06490	1.0
71.26186	0.2
72.08070	4.7
79.05390	0.5
80.00996	0.2
81.03329	3.3
82.04095	0.3
84.04390	0.4
84.08060	0.4
85.02830	2.6
86.09640	0.3
89.03838	8.4
89.10709	1.6
90.50880	0.2
91.05404	1.8
91.18399	0.2
92.33266	0.2
93.03294	0.3
95.04883	1.3
97.02835	1.8
97.06446	0.4
98.05981	1.1
99.04336	0.2
103.05405	0.3
106.04161	0.3
108.02015	0.2
109.02830	2.0
110.03601	1.0
110.07135	0.3
111.04386	1.0
115.08641	1.0
116.42789	0.2
117.03330	30.5
118.03716	0.5
119.04901	0.8
120.08070	0.3
123.04372	0.9
124.03898	1.2
124.05221	0.3
125.05930	1.0
127.03798	0.5
130.06451	0.3
134.03589	2.0
135.04436	2.4
138.02985	0.2
140.04660	2.7
142.02597	0.9
145.02827	87.4
146.03171	2.2
146.06017	0.4
147.04399	2.3
149.05960	12.0
153.05428	0.3
155.07008	1.6
157.07622	0.9
162.03093	0.3
162.05493	1.4
163.03874	3.0
164.04333	0.4
171.06491	3.9
177.05438	100.0
178.05803	1.9
181.04924	67.1
182.05280	1.7
186.05424	0.5
199.05934	1.9
203.08133	1.1
230.64703	0.2
248.12756	3.4
265.15414	21.2
266.15808	0.4
307.16434	0.3
325.09106	2.5
343.10178	3.5
379.55518	0.3
590.22070	0.4
607.17139	0.6
607.24957	14.1
608.25299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84710	1.2
53.91896	1.1
68.61457	1.2
69.03352	2.1
69.61486	1.4
70.06494	3.2
72.08047	5.6
85.02840	1.9
89.03833	13.4
91.05386	7.7
95.04851	1.4
117.03336	46.0
119.04876	15.3
121.06413	1.5
122.38970	1.3
129.10284	1.7
134.03636	2.7
134.28616	1.6
135.04343	2.9
137.05963	2.2
145.02820	100.0
145.03967	3.4
146.03235	1.8
146.05980	35.4
147.04391	41.2
149.05975	17.6
151.63963	1.3
162.05455	5.8
175.03937	6.1
177.05423	89.4
178.06197	1.5
179.07103	1.3
192.06493	1.8
207.06494	2.6
235.14368	1.8
248.12271	1.3
263.13870	3.6
282.02817	1.7
284.13260	1.5
299.21313	1.6
336.10577	2.0
337.10681	2.7
373.13165	1.7
411.19080	1.9
421.71393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	5.9
55.01796	15.4
55.05446	73.2
57.03363	6.1
57.06999	7.4
61.58863	2.5
64.32906	3.2
67.05077	4.1
67.05423	95.2
69.06976	35.1
70.19936	2.5
71.04895	3.6
71.08540	47.7
78.60721	2.9
79.05395	68.5
81.03335	11.6
81.06969	100.0
83.04878	16.4
83.08527	38.3
85.06451	5.4
91.05391	54.1
93.06963	74.2
95.04884	21.3
95.08527	62.4
97.06454	5.7
97.10091	31.0
99.08023	36.6
105.06957	46.0
107.04881	4.9
107.08519	41.9
109.06470	12.6
109.10104	25.9
111.08025	11.3
117.06941	16.7
119.08546	38.2
121.06432	4.6
121.10109	22.3
123.08060	4.5
123.11628	3.5
124.17361	2.7
125.09585	15.9
129.06944	4.8
131.08513	24.0
133.10052	23.6
135.11673	15.8
137.09608	4.5
143.08546	6.0
145.10118	21.3
147.11653	15.4
149.09546	5.0
149.13268	6.6
151.11137	59.3
157.10136	3.4
159.11624	12.6
161.13196	18.4
163.11127	15.4
165.12636	17.7
171.11636	5.2
173.11688	3.4
173.13200	4.3
177.12773	3.1
179.14278	6.5
185.50317	2.8
189.11215	6.9
195.13710	3.0
199.14767	4.7
259.20590	3.6
277.21609	62.4
293.21097	11.9
295.22610	32.9
417.33902	3.4
471.34305	5.7
489.35303	6.5
571.43158	5.7
621.80127	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	608.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	0.7
57.03366	0.7
58.46706	0.7
69.03345	4.0
70.06516	8.3
71.41660	0.7
72.08045	1.3
73.46526	0.7
79.05402	0.8
81.03323	4.0
81.06970	0.7
84.04420	1.3
84.08089	2.6
85.02805	7.4
92.64587	0.7
97.02823	7.0
107.04926	1.0
109.02808	2.9
110.07144	1.3
119.04935	1.0
120.08070	1.0
123.04365	4.1
124.03900	3.3
127.03887	1.2
130.06488	42.2
140.03398	1.1
145.02849	7.6
145.07585	1.9
147.04370	3.8
153.04152	1.3
155.05748	17.3
157.07585	100.0
158.07974	1.1
162.05511	6.9
163.03824	1.2
165.04207	4.3
168.06566	1.8
170.08109	16.4
177.05428	7.9
180.06578	1.1
185.07037	5.5
203.08127	83.2
204.08415	3.2
218.14117	0.9
219.67981	0.7
231.13747	1.0
232.77084	0.8
235.02495	0.9
242.22841	0.9
244.08040	1.8
262.07227	1.0
265.09540	1.1
268.08139	0.9
282.12384	1.2
295.10764	3.0
297.12225	2.7
300.13324	3.2
309.12192	1.1
337.11725	0.9
355.12836	6.4
355.79999	0.9
359.11835	0.8
372.15433	14.3
427.89911	0.7
454.99399	0.8
493.27670	0.9
576.73645	0.8
608.20490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84126	0.7
50.97926	0.7
51.64290	0.9
53.00229	1.1
53.03881	7.6
55.01804	7.7
55.05450	34.4
57.03369	4.4
57.07008	9.1
61.71503	0.9
64.33785	0.8
65.03860	1.1
67.05426	79.2
69.03345	6.8
69.06988	30.2
71.04910	6.9
71.08545	17.3
73.06474	1.3
79.05403	46.8
81.03332	42.7
81.06972	57.8
81.07451	2.0
83.04905	11.7
83.08521	8.9
85.06451	5.1
91.05396	26.2
92.10288	3.1
93.06968	60.6
95.04897	28.0
95.08527	45.4
97.06445	7.8
97.10099	9.3
99.08043	7.7
101.68552	0.9
105.06977	15.9
107.04869	1.2
107.08530	25.6
109.06459	6.4
109.10104	29.0
111.08052	1.4
117.06953	4.1
119.08525	14.5
121.10106	21.9
123.08049	1.9
123.11689	6.9
125.09576	1.2
129.06972	3.3
129.63342	0.8
129.78410	0.9
131.08504	8.8
131.61859	0.9
133.10089	11.2
135.08009	1.4
135.11633	11.8
137.09595	24.1
137.13251	1.5
139.11130	6.9
141.10643	1.1
142.59805	0.9
143.08540	4.8
145.10107	4.4
147.08029	1.2
147.11694	8.7
149.09637	1.3
149.13231	8.6
151.11148	18.6
157.10121	1.3
159.11664	3.8
161.09637	1.0
161.13228	4.8
163.11119	3.8
163.14757	1.5
165.12749	1.8
166.15103	1.0
168.45647	0.9
171.11662	2.0
173.13251	3.6
175.14810	1.8
177.12630	1.4
183.13840	1.1
185.13181	1.9
190.42461	0.9
191.14310	4.3
193.15887	1.3
199.14700	1.1
203.12703	2.0
207.13945	1.3
221.15318	4.8
231.21097	1.5
236.23785	1.0
241.19609	3.7
249.22046	3.6
259.20395	3.6
260.65976	1.0
261.22223	1.4
261.95367	0.9
277.21558	100.0
278.21750	1.9
279.23169	5.4
295.22604	69.1
296.22919	1.3
345.16608	1.0
432.24655	0.9
493.85303	1.0
573.45630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	5.4
55.01805	3.9
55.05449	25.8
57.03380	3.4
57.07000	7.6
59.04936	0.7
61.25895	0.8
64.24816	0.8
67.05424	57.5
69.03339	3.8
69.06608	1.1
69.06982	30.5
71.04887	5.1
71.08544	12.1
79.05402	37.9
81.03329	26.7
81.06967	46.0
83.04897	9.5
83.08537	6.9
85.06468	5.0
91.05394	18.9
92.10936	2.6
93.06969	55.1
95.04891	23.0
95.08527	34.5
97.06458	8.5
97.10107	8.3
99.08019	8.1
105.06969	19.0
107.04929	1.1
107.08531	25.2
109.06450	5.5
109.10102	18.0
111.08024	1.3
111.11633	1.2
113.04429	0.9
117.06972	5.7
119.08529	16.1
121.06435	1.2
121.10098	28.1
123.08007	3.7
123.11626	4.5
125.09621	0.9
127.11148	1.4
129.06964	1.6
131.08505	5.5
133.10081	14.4
135.07985	1.3
135.11652	11.4
137.09592	16.1
137.13188	0.9
139.11156	6.7
143.08490	1.4
145.10088	4.9
147.11649	8.6
149.09529	1.3
149.13242	8.0
151.11145	16.3
154.18620	0.9
159.11661	3.6
161.13196	5.0
163.11143	3.4
163.14767	3.8
165.12715	1.8
171.11719	1.6
173.13231	3.3
175.14801	1.9
177.16429	1.1
179.14275	1.9
185.13185	3.4
187.14789	1.2
195.13770	1.0
199.14862	1.3
203.12715	5.0
221.15302	3.8
235.17079	1.1
241.19533	1.0
243.21147	1.2
249.22112	3.6
259.20511	2.1
261.22208	1.9
277.21545	97.5
278.21765	6.6
279.23065	3.6
295.22598	100.0
296.22940	4.6
303.23087	3.7
371.33087	1.9
460.83685	1.1
479.67551	0.9
537.42963	1.3
555.43665	4.2
563.68958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	2.9
55.01806	10.7
55.05449	37.9
57.03355	2.1
57.07007	11.6
64.32968	1.9
67.05425	92.0
69.06982	39.3
71.04915	2.9
71.08545	7.5
79.05408	79.4
81.03320	8.8
81.06971	100.0
83.04905	9.6
83.08531	21.4
85.06461	2.9
85.10115	2.2
89.47598	1.8
91.05410	49.5
93.06369	2.9
93.06967	86.5
95.04888	22.7
95.08529	76.2
97.06464	10.6
97.10112	14.4
99.08020	10.0
105.06969	54.4
107.04899	3.5
107.08535	55.9
109.06494	8.0
109.10087	27.1
111.08039	4.0
117.06944	14.4
119.08529	42.2
121.10093	31.6
123.08032	3.1
123.11617	6.9
125.09599	8.1
129.06946	4.7
131.08556	25.6
133.10100	30.4
135.08014	3.7
135.11626	16.4
137.09584	12.5
139.03857	1.8
139.11153	3.7
143.08556	4.2
145.10066	17.0
147.11700	16.8
149.09619	4.4
149.13257	12.8
151.11179	7.6
151.68829	2.0
157.10104	2.4
158.90237	1.7
159.11678	8.9
161.13235	7.9
163.11163	4.4
163.14742	4.0
164.73318	2.0
165.12715	3.9
166.26573	2.2
169.10040	2.2
173.13252	7.9
175.14825	4.8
177.12770	2.1
177.16344	3.6
179.14145	1.9
181.12234	2.3
183.11591	3.4
187.11053	2.7
187.14864	3.3
189.11241	2.5
235.16895	3.5
241.39174	2.2
243.20947	14.1
249.22166	3.0
261.22064	33.1
263.23709	2.7
275.19958	44.6
277.21503	29.9
279.23169	3.3
293.21182	9.9
295.22537	21.9
406.67700	2.0
537.43005	3.4
555.43573	10.0
609.41003	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	609.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67248	3.2
67.05401	4.2
79.05392	7.3
82.36380	3.4
89.03816	6.6
91.05391	7.4
92.10949	6.9
92.21166	3.4
95.04929	4.1
103.05363	12.5
105.06962	21.5
107.04899	4.2
115.05417	13.7
117.03313	4.4
117.06940	6.8
119.04881	4.5
120.41859	3.3
123.04394	12.0
125.05904	3.9
131.04892	27.1
131.60126	3.3
132.05688	16.2
133.06468	27.4
136.01935	3.3
145.02831	7.0
145.06444	13.1
147.04378	13.8
149.05911	4.9
153.05373	5.0
155.04778	3.8
161.05954	28.0
163.07509	14.3
167.06993	100.0
173.05951	5.8
175.07478	3.9
177.05376	33.6
177.09074	4.4
181.04948	43.4
191.06917	44.0
192.07684	5.5
205.08600	7.6
263.62225	3.5
349.94562	4.1
442.67517	4.5
577.20453	85.1
609.23224	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31009	0.6
55.05421	0.7
57.07003	0.6
58.22357	0.6
58.80236	0.7
62.91339	0.6
67.05412	1.1
69.06979	1.4
72.46675	0.7
81.06962	1.0
86.09605	0.7
87.71913	0.8
91.05373	0.8
93.07001	1.0
105.06974	1.4
107.08519	1.1
128.06181	0.9
133.10097	4.7
141.06961	1.2
142.07707	1.1
151.11174	1.1
153.06947	4.2
155.08543	4.1
157.06471	1.0
168.05634	4.0
169.06416	1.0
170.07195	1.2
180.13782	2.9
181.06396	5.6
182.07217	3.1
183.08005	3.8
184.05168	0.9
185.05957	1.6
185.09599	4.5
186.96747	3.1
187.07475	1.3
195.08075	0.8
196.05186	1.0
197.05975	1.0
198.06712	18.7
199.07500	6.4
200.08234	1.2
204.97816	2.9
209.05920	1.4
210.06749	1.1
211.07503	6.8
212.04802	0.9
212.08279	1.0
213.05537	5.4
213.09050	12.1
215.06967	3.8
226.06136	7.3
227.06990	6.2
228.07761	5.0
239.06906	1.7
240.07715	1.1
241.08527	28.3
243.06393	2.8
243.10107	1.3
253.08560	1.2
255.10101	5.1
258.08939	1.5
259.09576	25.0
271.09579	25.6
273.11142	100.0
274.11411	3.8
402.88574	0.9
423.21439	1.7
431.27121	0.9
440.23911	1.5
475.21036	1.3
485.11896	0.9
489.23004	1.2
620.43927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48066	1.1
51.20580	1.1
54.81738	1.2
55.05451	17.8
57.03374	1.7
57.07025	1.9
63.72293	1.1
65.41885	1.3
67.05430	32.2
68.05746	2.6
69.06988	11.5
71.08545	7.6
79.05418	21.1
79.83658	1.1
80.05771	2.5
81.03352	1.5
81.06971	36.3
82.07294	2.2
83.04898	2.5
83.08534	10.2
85.10156	1.2
86.71133	1.2
91.05375	12.7
91.06605	1.3
93.06972	21.7
94.07284	1.4
95.04869	2.4
95.08529	21.8
96.08857	1.7
97.06488	2.9
97.10099	7.7
98.26122	1.4
99.08026	1.5
104.14288	1.5
105.06989	13.4
107.08540	15.4
108.07397	1.5
109.06462	1.4
109.10149	9.4
110.10452	2.0
111.08077	1.4
114.36620	1.3
117.07008	1.9
119.08554	10.2
121.10108	7.6
131.08513	3.1
133.10104	8.9
134.10490	1.6
135.11646	2.7
145.10123	1.8
147.11681	6.4
149.13261	2.4
151.11223	5.7
159.11674	2.1
161.13226	2.7
162.93497	1.5
163.14828	2.2
177.12753	1.3
195.13806	1.5
224.82953	1.4
270.73175	1.4
275.20157	5.7
276.20282	2.4
277.21460	14.8
278.21982	2.9
279.23154	2.5
295.22659	10.2
296.22644	1.5
315.19299	7.9
317.20901	5.6
402.71817	1.5
485.13287	1.6
553.02344	1.6
573.45056	1.6
609.41119	100.0
610.41870	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	610.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71180	1.4
56.22583	1.2
56.77335	1.5
60.49331	1.5
63.08802	1.3
66.78427	1.5
67.92027	1.4
73.04680	12.3
79.02053	1.9
81.00029	2.6
87.37125	1.7
91.05719	100.0
96.66161	1.6
96.99510	1.6
114.07279	3.3
120.65087	1.7
126.94905	1.7
142.41521	1.9
159.16397	2.1
167.05534	26.4
175.53618	1.9
196.95418	2.0
218.15611	1.6
225.04213	2.6
227.50423	1.5
239.09398	18.5
243.48201	1.9
266.99847	3.5
268.97763	14.1
280.27069	1.8
282.27835	2.7
283.02945	7.2
285.00854	18.9
299.06146	20.8
303.01859	3.1
310.30917	3.3
344.97528	3.0
355.06903	27.5
373.07864	8.1
402.96075	4.1
415.03217	2.3
418.99390	8.1
449.35806	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	610.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05951	0.1
53.03888	1.4
55.01799	0.4
56.75013	0.1
57.03390	0.8
59.04931	0.1
61.02843	0.2
63.30294	0.1
69.03349	7.5
70.00977	0.1
70.06508	0.5
71.04898	0.6
73.02830	0.2
78.80830	0.1
79.05396	0.5
81.03338	10.7
82.03677	0.2
82.68316	0.1
82.72424	0.1
83.01271	0.1
85.02828	7.2
87.04397	0.3
91.05400	1.4
92.10210	0.3
93.26544	0.1
95.04874	0.8
97.02821	8.1
98.03240	0.1
99.04388	3.0
107.04897	100.0
108.05219	1.9
109.02831	5.6
117.03317	0.1
119.04897	2.5
124.03905	0.2
127.03874	8.6
131.04895	1.0
145.02933	0.3
145.04939	4.4
146.05965	0.5
147.04391	2.1
149.05968	0.5
153.05463	3.0
157.03979	0.1
162.05469	1.7
165.05367	0.1
173.05899	0.6
175.03862	2.8
177.05437	0.7
187.07436	0.1
197.05894	0.2
207.06488	4.2
215.06990	0.7
219.06354	0.2
225.07581	0.5
233.08043	0.2
243.06459	0.1
255.62476	0.1
261.07529	0.9
279.08575	7.4
280.08911	0.2
297.09628	8.3
298.10049	0.5
313.13058	0.1
321.09610	0.3
349.66702	0.1
351.10956	0.2
363.10724	0.5
369.11810	0.1
387.10675	0.2
450.90839	0.1
547.13190	0.1
551.39496	0.1
575.17261	0.2
593.18414	0.2
606.75031	0.2
610.21136	4.0
611.21741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28151	0.3
53.90962	0.3
55.01786	0.6
57.03362	0.7
57.42801	0.3
65.92713	0.4
66.66595	0.3
69.03336	0.6
71.86279	0.3
73.02831	0.4
79.45219	0.3
85.02826	1.7
94.12769	0.4
97.02779	0.3
106.02837	0.6
111.62262	0.3
119.04826	0.5
120.24347	0.4
124.03887	2.2
127.03895	0.4
136.06146	100.0
137.06493	1.7
147.04359	2.9
168.10133	0.4
196.09677	0.5
268.07495	0.7
268.10327	20.7
269.10803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.5
53.29187	0.3
54.82303	0.4
55.01807	2.1
55.05447	12.3
57.03370	7.2
57.07008	1.9
59.04925	4.9
65.03869	0.6
67.05422	85.1
68.05753	1.4
69.03326	0.8
69.06982	7.0
71.04905	4.1
71.08534	2.1
79.05402	5.3
81.03332	0.5
81.06968	23.3
83.04893	0.8
83.08535	10.7
83.57648	0.3
85.06461	3.2
86.44138	0.4
91.05396	7.2
92.65076	0.4
93.06963	10.6
95.04893	2.4
95.08526	10.9
97.06460	1.9
97.10087	3.8
97.63323	0.3
99.08018	0.8
105.06964	2.4
107.08537	5.8
109.06425	1.4
109.10098	100.0
110.10440	0.8
111.08024	4.2
111.11697	0.4
117.06956	1.4
119.08524	9.1
121.10122	3.0
123.08035	0.7
123.11623	1.6
125.09580	1.5
128.43793	0.3
131.08525	0.5
133.10124	2.6
135.11664	2.5
136.52415	0.4
137.09572	6.5
139.11145	1.6
141.12660	0.3
141.19164	0.4
143.01537	0.3
147.11656	1.4
149.09569	0.5
149.13240	2.7
151.11119	1.3
155.10638	12.0
159.11661	1.3
161.13156	0.4
165.12791	0.4
173.11684	95.3
174.11996	0.7
175.14810	0.5
179.14244	0.4
189.11165	0.5
195.13695	2.6
213.14752	2.1
249.22043	0.6
259.20386	0.4
277.21567	7.8
295.22617	10.8
395.50729	0.5
442.95844	0.4
494.79111	0.4
511.73514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03092	0.5
55.01817	0.9
55.05455	12.2
55.83791	0.5
57.03376	6.8
57.07006	1.0
59.04944	5.8
60.71797	0.6
64.33543	0.7
65.03847	0.8
67.05428	82.8
68.29015	0.7
69.06987	5.7
71.04896	3.3
71.43710	0.6
79.05418	5.9
81.03325	0.7
81.06982	20.2
83.04883	1.4
83.08549	11.5
85.06469	3.6
91.05398	6.8
93.06978	7.3
95.04900	1.1
95.08537	8.3
97.06447	2.5
97.10089	2.5
99.08050	1.1
105.06969	1.1
107.08535	4.2
108.07866	0.6
109.06466	0.9
109.10108	100.0
111.08010	3.2
119.08534	9.2
121.10125	1.3
123.08019	1.3
125.09560	2.4
135.11629	1.0
137.09564	6.2
143.07079	0.8
149.13284	0.8
151.11194	0.9
155.10643	11.8
173.11697	94.2
213.14859	1.1
277.21600	7.0
295.22644	7.4
397.69809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58466	1.0
53.03873	2.8
54.01265	1.0
55.01807	9.7
55.05449	33.3
57.03364	6.5
57.07016	11.3
59.04940	2.0
67.05424	100.0
67.72750	1.1
69.03345	2.4
69.06990	38.7
71.04902	7.7
71.08550	11.9
79.04957	1.8
79.05404	42.1
79.26714	1.1
81.03327	6.4
81.06971	91.8
82.07297	1.7
82.61370	1.1
83.04903	7.2
83.08533	26.9
85.06450	5.1
85.10082	2.6
91.05396	28.9
93.06971	60.3
95.04895	10.8
95.08530	53.9
96.81299	1.3
97.06455	10.7
97.10110	7.8
99.08018	6.6
105.06982	21.0
107.04910	3.1
107.07865	2.1
107.08534	33.8
109.06438	6.5
109.10106	31.7
109.10786	2.4
111.08041	9.6
111.11675	1.7
113.09532	1.5
117.06962	7.0
119.08520	22.1
121.10084	18.6
123.07995	4.6
123.11658	10.8
125.09597	1.4
129.06964	1.7
131.08539	12.4
133.10081	20.3
135.11655	16.9
137.09566	9.1
137.13214	1.8
139.11140	3.1
143.08516	1.8
145.10109	2.5
147.11659	11.0
149.09627	2.8
149.13231	28.4
151.11140	11.9
159.11671	10.0
161.13229	7.1
163.11147	2.5
163.14752	3.1
165.12706	8.8
173.11671	12.2
173.13046	3.1
173.87119	1.2
175.14702	1.9
177.12706	6.6
179.14241	5.0
189.16299	1.9
195.13763	30.5
213.14848	25.5
245.22531	2.8
249.22116	5.7
259.20642	1.8
263.23575	10.6
266.27161	1.3
275.20084	9.4
277.21564	38.3
295.22647	37.9
296.22772	1.8
311.29437	2.7
395.44238	1.9
611.42883	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	610.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75220	2.2
51.54221	2.0
53.03876	3.6
55.01796	5.7
55.05193	2.6
55.05453	69.8
57.03380	3.6
57.07010	2.8
66.68863	2.3
67.05080	3.4
67.05430	80.5
69.03336	3.8
69.06982	33.4
71.08549	49.6
72.24163	2.2
79.05416	45.9
81.03327	3.5
81.06972	80.0
83.04897	11.7
83.08542	48.9
85.06485	2.9
91.05389	26.3
93.06977	50.3
95.04884	14.1
95.08541	52.6
97.02898	3.1
97.06457	6.1
97.10092	58.3
98.94933	2.5
99.08038	29.6
105.06952	19.7
107.08548	41.1
109.06533	2.7
109.10104	24.9
117.06990	4.0
119.08514	16.8
121.10078	18.6
123.11675	3.9
125.09584	43.3
127.54244	2.3
131.08549	5.2
133.10071	12.8
135.08044	4.1
135.11623	17.3
145.10129	3.1
147.11624	10.3
149.13219	13.0
151.11148	41.5
161.13216	13.9
163.11147	12.7
165.12685	3.0
177.12657	5.3
179.14215	18.8
184.56633	2.6
189.11186	35.6
189.12692	4.1
195.13756	6.1
217.56424	2.7
241.19354	4.3
259.20490	10.5
263.23712	4.3
270.60315	2.6
277.21558	100.0
295.22513	29.3
325.98276	2.4
457.36584	4.2
611.42731	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	610.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.6
55.01808	14.7
55.05449	50.8
57.03372	1.8
57.07002	6.5
62.08093	1.2
65.03863	1.9
67.05424	92.9
67.05786	3.1
67.67359	1.1
69.03358	2.0
69.06983	32.0
71.04897	2.3
71.08549	9.7
79.05402	43.2
81.03339	5.9
81.06973	100.0
81.07455	3.2
83.04897	10.6
83.08540	32.3
85.06454	3.0
85.10089	9.0
91.05392	31.2
93.06375	1.3
93.06965	54.5
95.04893	12.3
95.08528	61.9
97.06443	9.3
97.10094	22.0
99.07978	3.1
105.06970	23.5
107.04904	1.9
107.08536	33.5
109.06478	5.3
109.10086	23.2
111.08009	13.2
113.09581	7.8
117.06966	3.3
119.08526	17.5
121.06454	1.8
121.10081	17.2
123.07960	5.6
123.11617	11.0
125.09601	12.7
128.58316	1.4
129.06912	2.0
131.08536	6.2
133.10126	18.0
135.11665	11.8
137.09492	1.8
137.13243	2.6
143.08575	2.2
145.10136	2.6
147.11673	14.6
149.09622	5.5
149.13200	10.3
151.11110	10.9
153.12740	1.7
159.11665	2.9
161.13289	10.4
163.11174	2.9
163.14812	2.3
163.63771	1.3
165.12694	15.0
175.14737	3.1
177.12665	2.8
179.14240	3.1
189.11194	7.8
217.51320	1.7
222.53551	1.7
231.20993	1.4
245.22592	2.8
249.22151	2.1
249.60448	1.4
259.20505	7.9
263.23593	18.3
277.21533	63.4
295.22604	48.6
317.20596	2.4
407.57602	1.6
457.36453	2.5
521.43848	2.1
539.44556	6.5
557.45483	11.7
590.33862	1.7
611.42688	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02336	0.5
53.03883	3.8
55.01815	0.6
56.96511	0.6
57.03372	1.0
60.09171	0.5
69.03340	11.3
70.06503	2.7
71.04901	0.9
72.08062	6.2
73.02829	0.9
78.03372	8.7
79.47913	0.5
80.04930	1.2
81.03331	19.3
84.04426	2.1
84.08082	0.9
85.02826	8.7
86.09637	0.6
89.33015	0.5
91.05382	1.9
92.10831	0.9
96.04410	5.7
97.02820	8.7
98.97528	0.5
99.04397	2.7
106.02851	47.0
108.04430	0.6
109.02828	11.8
110.07132	0.6
119.04887	3.6
124.03905	100.0
125.04281	0.8
127.03888	4.6
130.06488	1.0
136.03911	21.3
145.02774	0.8
147.04387	9.9
148.04745	2.1
149.11798	0.5
162.05426	1.0
164.03380	34.3
177.05461	0.7
179.01656	0.5
182.04411	4.7
185.04613	0.8
188.01591	3.1
189.02338	0.6
204.10106	0.7
216.01093	7.4
217.01408	1.0
218.02609	1.1
232.06169	0.8
243.88570	0.5
244.00551	0.8
250.07057	12.4
262.01697	2.4
268.08063	36.5
269.08249	0.9
273.03165	2.1
286.09131	1.2
319.03647	2.2
320.04242	0.5
376.09354	4.1
412.12201	2.1
430.13327	14.0
431.13333	0.7
464.19434	2.5
465.19376	1.1
610.23315	4.7
611.17346	4.0
638.11218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87607	0.5
69.03342	1.0
70.06531	1.1
72.08074	2.2
75.49216	0.5
81.03328	0.9
85.05075	0.5
86.09619	0.7
89.03851	3.6
91.05397	1.0
93.06984	0.7
97.02814	0.9
107.04910	0.8
117.03334	16.5
119.04910	2.3
124.03874	1.9
134.03545	0.8
135.04401	2.7
137.05968	5.1
145.02831	54.5
146.03120	2.0
146.06006	2.5
147.04396	3.2
149.05986	6.6
151.03862	0.7
152.06152	2.3
153.05864	0.6
153.06961	5.9
154.07368	0.5
162.05501	2.8
163.03935	0.8
164.96950	0.6
165.07066	0.9
169.06511	0.6
177.05441	64.2
178.05760	0.8
180.05687	1.3
181.06453	12.6
182.07249	1.2
183.07986	0.6
186.05411	0.9
197.05974	0.7
198.06754	4.7
199.07477	0.7
208.05251	1.1
209.05933	5.7
210.06715	1.0
211.07565	3.0
212.08177	0.8
213.09103	3.4
225.05464	1.0
226.06245	7.5
227.07045	1.2
237.05518	1.0
239.06979	0.9
240.07730	0.8
241.08543	12.0
242.09053	0.7
243.06499	3.5
254.05708	5.4
255.06465	2.1
257.08206	0.8
258.08759	1.2
265.15356	4.8
268.07544	0.9
269.08014	23.8
270.08725	2.8
271.05853	6.3
273.11179	3.9
282.02704	0.8
286.08368	4.5
291.13354	8.5
297.07516	1.0
301.10660	100.0
302.11050	5.7
329.10147	26.6
330.10562	1.3
394.64087	0.6
417.20175	6.5
488.52060	0.6
562.27521	0.6
593.24689	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	611.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81519	0.7
55.05442	0.9
67.05421	2.8
69.06976	0.8
79.05389	0.9
81.06963	2.6
83.08514	0.7
91.05357	0.7
93.06980	1.2
95.08533	1.4
105.06957	0.8
107.08550	0.9
110.87347	0.6
225.21504	0.7
315.19360	1.1
317.20676	5.0
333.20270	1.2
441.67920	0.7
593.41663	27.2
594.41687	1.0
610.41229	1.5
611.42682	100.0
612.43018	7.9
624.85626	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19094	0.6
55.05443	4.2
57.06989	1.3
62.09291	0.7
67.05433	7.9
67.05721	0.8
69.06977	3.9
75.29848	0.8
79.05396	4.9
81.06974	8.7
83.08540	1.6
91.05405	4.7
93.06973	6.2
95.04886	1.0
95.08538	6.5
95.85779	0.8
97.06463	1.0
105.06971	3.7
107.08534	3.3
109.10110	1.2
117.06975	1.6
119.08524	3.3
121.10089	2.0
121.95852	0.7
124.92372	0.8
129.06979	1.8
131.08522	4.0
133.10040	2.8
135.11795	0.8
143.08543	3.0
145.10095	4.2
147.11630	1.0
157.10106	1.8
159.11688	1.3
169.10117	1.7
171.11588	0.9
173.13196	1.1
185.13258	1.0
197.13373	0.8
199.14780	1.1
219.29051	0.8
228.38110	0.9
290.57880	0.8
593.41461	26.5
594.41638	4.1
611.42584	100.0
612.42896	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	612.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81127	2.2
51.71734	2.1
54.82312	2.3
55.05445	25.3
57.03362	11.8
58.66359	2.2
60.18480	2.1
61.55198	2.2
63.21490	2.4
64.33971	2.9
67.05425	69.6
69.06974	17.9
70.45835	2.2
79.05399	49.8
81.03321	10.1
81.06968	50.0
83.08526	2.9
91.05401	25.0
93.06955	44.5
95.04888	3.8
95.08530	44.4
98.98399	74.8
101.31039	2.3
105.06978	18.5
107.08533	25.5
109.02808	5.6
109.10097	12.4
115.84997	2.7
117.06985	2.8
119.08517	14.0
121.10081	13.3
123.11708	3.0
131.08546	4.0
133.10068	10.1
135.11621	11.4
152.58345	2.9
155.00958	19.7
159.11600	4.6
173.13260	3.6
243.20929	4.4
261.22162	10.9
275.11966	3.0
335.25726	100.0
388.97623	2.6
428.45322	3.3
434.96719	3.1
568.48059	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	612.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	5.4
53.03901	1.4
53.17931	1.2
53.87656	1.1
55.01817	17.6
55.05187	2.4
55.05452	71.6
55.81324	1.3
57.03362	5.7
57.07012	17.4
57.55021	1.2
59.04926	1.7
59.76462	1.3
65.03877	1.6
67.05431	100.0
69.03334	1.6
69.06990	67.1
71.04895	6.4
71.08549	10.6
79.05415	47.8
81.03318	6.9
81.06977	94.5
83.04904	12.7
83.08545	51.5
85.06454	2.4
85.10120	7.5
91.05408	33.1
92.10259	3.2
93.06975	64.8
95.04905	14.2
95.08535	61.9
97.06464	13.7
97.10102	39.9
99.08026	6.9
105.06979	20.6
107.04897	2.7
107.08536	37.1
107.96121	1.2
109.06447	10.7
109.10110	37.9
110.10420	10.1
111.08038	20.2
111.11666	2.5
113.09577	6.8
117.06957	6.5
119.08535	15.9
121.10093	30.1
123.08055	1.8
123.11636	11.1
125.09586	15.2
129.06998	2.0
131.08530	6.1
133.10109	17.4
135.11658	21.9
137.09596	3.1
139.11185	5.2
145.10063	1.9
147.11668	13.7
149.09604	5.9
149.13229	14.4
151.11134	13.4
153.09128	1.7
153.12741	3.0
157.10123	1.9
159.11656	3.2
161.13188	8.3
163.11142	3.1
163.14847	2.3
165.12726	16.4
173.11778	12.9
173.13084	2.6
174.12007	3.4
175.11113	2.3
175.14832	2.2
177.12776	3.4
179.14288	5.5
189.11188	6.5
195.13817	7.4
234.51630	1.5
241.19604	3.0
249.22050	1.9
259.20465	7.9
265.25208	26.0
277.21567	70.0
278.21924	5.3
295.19476	2.9
295.22644	64.1
296.22955	2.7
296.35159	1.5
320.73187	1.5
354.52927	1.5
459.38144	5.9
523.44897	2.1
541.45953	7.1
545.79193	1.5
559.46564	8.4
613.43878	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	612.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02493	2.1
53.00248	2.9
53.03870	3.1
55.01804	11.8
55.05452	78.4
57.03367	2.7
57.06998	13.8
59.04899	2.9
67.05427	97.2
68.05748	4.5
69.03325	3.1
69.06984	50.8
70.07303	2.5
71.04919	4.5
71.08237	2.5
71.08550	41.8
79.05411	59.0
80.05730	3.2
81.03332	4.7
81.06509	4.1
81.06973	100.0
82.07291	12.3
83.04906	13.6
83.08536	51.5
85.06472	3.2
88.54834	2.7
91.05395	29.0
92.05717	3.2
93.06972	64.5
94.07307	12.6
95.04884	14.7
95.08529	48.6
97.06470	16.7
97.10095	50.3
99.08021	28.0
105.06949	25.8
107.08542	51.5
108.08818	2.9
109.06415	4.6
109.10124	26.9
111.07998	4.6
117.06934	5.4
119.08510	20.4
121.10089	22.6
123.11684	3.2
124.78017	3.1
125.09571	31.4
131.08530	6.0
133.10086	18.5
135.11667	20.3
137.09563	4.0
145.10172	3.0
147.11653	12.2
149.13251	16.8
150.13524	3.8
151.11159	29.7
153.09027	2.7
155.73351	2.9
159.11676	4.0
161.13251	13.4
163.11171	14.0
173.11694	4.8
177.12682	5.3
179.14282	11.6
189.11142	28.2
195.13777	25.4
196.14165	14.7
213.14841	4.8
214.15350	3.9
241.19438	4.9
241.80424	2.8
257.33542	3.1
259.20428	6.1
274.91812	3.0
277.21552	68.4
278.21933	6.1
280.82315	2.8
295.22684	36.3
317.53738	2.7
459.38098	3.4
596.97058	2.9
613.43781	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	612.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02493	2.1
53.00248	2.9
53.03870	3.1
55.01804	11.8
55.05452	78.4
57.03367	2.7
57.06998	13.8
59.04899	2.9
67.05427	97.2
68.05748	4.5
69.03325	3.1
69.06984	50.8
70.07303	2.5
71.04919	4.5
71.08237	2.5
71.08550	41.8
79.05411	59.0
80.05730	3.2
81.03332	4.7
81.06509	4.1
81.06973	100.0
82.07291	12.3
83.04906	13.6
83.08536	51.5
85.06472	3.2
88.54834	2.7
91.05395	29.0
92.05717	3.2
93.06972	64.5
94.07307	12.6
95.04884	14.7
95.08529	48.6
97.06470	16.7
97.10095	50.3
99.08021	28.0
105.06949	25.8
107.08542	51.5
108.08818	2.9
109.06415	4.6
109.10124	26.9
111.07998	4.6
117.06934	5.4
119.08510	20.4
121.10089	22.6
123.11684	3.2
124.78017	3.1
125.09571	31.4
131.08530	6.0
133.10086	18.5
135.11667	20.3
137.09563	4.0
145.10172	3.0
147.11653	12.2
149.13251	16.8
150.13524	3.8
151.11159	29.7
153.09027	2.7
155.73351	2.9
159.11676	4.0
161.13251	13.4
163.11171	14.0
173.11694	4.8
177.12682	5.3
179.14282	11.6
189.11142	28.2
195.13777	25.4
196.14165	14.7
213.14841	4.8
214.15350	3.9
241.19438	4.9
241.80424	2.8
257.33542	3.1
259.20428	6.1
274.91812	3.0
277.21552	68.4
278.21933	6.1
280.82315	2.8
295.22684	36.3
317.53738	2.7
459.38098	3.4
596.97058	2.9
613.43781	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	612.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02568	0.9
55.01810	9.2
55.05447	23.2
57.03363	8.1
57.07006	6.9
65.03861	1.2
67.05428	78.3
67.05788	2.9
68.70258	1.1
69.06987	30.4
71.04906	5.7
71.08537	7.1
73.04679	2.1
79.05411	39.2
81.06976	100.0
83.04900	10.4
83.08534	28.8
85.06460	5.8
85.10112	2.0
91.05358	11.3
91.05737	15.6
93.06975	60.8
95.04889	5.7
95.08533	31.0
97.06459	17.8
97.10089	5.5
99.08046	5.7
105.06980	11.1
106.20441	1.1
107.08544	41.9
109.06477	2.0
109.10102	24.1
111.08035	20.0
117.06979	12.2
119.08541	6.8
121.10088	17.9
123.11653	5.5
131.08531	10.5
133.10112	18.3
134.15604	1.4
135.11647	17.8
139.11137	1.6
147.11682	5.3
149.13242	43.1
151.11131	6.5
153.12766	1.3
155.10693	2.4
159.11653	18.3
161.13148	1.2
163.11211	1.3
165.12630	1.7
167.05481	2.4
167.14333	2.0
173.11742	15.6
177.12698	10.1
195.13766	64.2
213.14801	34.7
213.16684	2.0
220.84564	1.2
239.09479	2.9
239.49341	1.4
262.08084	1.3
277.21494	20.1
285.00760	1.4
295.22653	16.6
299.05988	1.4
301.05823	2.0
335.70914	1.6
355.06714	2.6
357.06683	2.6
384.08817	1.4
592.09125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	2.0
55.05451	11.1
56.99958	0.4
57.03371	6.3
57.07025	1.9
59.04930	6.0
65.03869	0.7
67.05429	88.9
68.05781	0.7
69.03345	0.9
69.06982	5.0
71.04909	4.3
71.08553	0.8
79.05402	4.8
81.03338	0.6
81.06979	18.9
83.04906	0.6
83.08535	11.7
85.06458	4.0
89.55817	0.5
91.05333	4.5
92.10866	0.5
93.06976	8.3
95.04838	0.6
95.08534	8.6
97.06477	1.9
97.10101	3.6
99.08007	0.7
105.06980	1.9
107.08569	4.3
109.10108	96.5
110.10439	1.9
110.29763	0.4
111.08029	4.2
117.06989	0.4
119.08540	8.4
121.10107	2.5
123.08012	0.8
123.11656	2.0
125.09621	1.8
127.11057	0.4
131.08533	0.6
133.10112	0.9
135.11700	1.0
137.09592	6.3
137.11752	0.4
149.13324	0.8
151.11043	0.6
155.10629	12.0
159.88354	0.5
161.52924	0.5
171.48444	0.4
173.11702	100.0
173.25819	0.6
174.12080	1.1
189.11240	0.5
222.32190	0.5
277.21655	6.1
287.62027	0.5
295.22672	6.8
317.17245	0.4
353.09073	0.6
360.64862	0.5
523.39594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25966	0.2
54.81263	0.2
63.02308	0.4
68.29863	0.2
72.08072	10.2
76.55737	0.2
78.04635	0.4
78.34297	0.2
89.03841	16.4
90.04157	0.3
90.61213	0.2
91.05415	1.2
93.38985	0.2
95.04881	0.3
103.05396	0.5
103.93981	0.2
106.04142	0.8
114.87463	0.2
117.03332	48.5
118.03695	0.5
119.04904	0.5
124.05162	0.9
130.06422	0.2
132.36931	0.2
134.03590	3.1
135.04402	5.0
145.02829	100.0
146.03172	2.6
147.04387	0.5
149.05963	15.5
150.29100	0.2
158.06010	0.4
163.03864	1.4
167.06966	0.2
169.36118	0.3
177.05440	84.9
178.05803	2.0
186.05489	2.2
263.06903	0.3
291.06564	0.3
306.05057	2.7
316.05969	1.2
318.04953	1.6
321.07501	1.3
323.08969	0.3
336.06219	1.4
346.06894	1.0
348.08432	1.0
349.07001	2.9
351.07730	0.3
362.06317	0.5
366.09787	2.1
367.08017	1.6
378.09665	18.9
379.09708	0.5
392.84451	0.3
419.15894	1.2
420.14322	8.9
421.14346	0.3
437.16992	28.3
438.17343	1.8
463.14880	3.4
513.81653	0.3
566.23993	0.2
613.21643	2.9
614.21362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00221	4.6
53.64260	3.7
54.81675	4.9
55.05444	28.0
57.03359	21.1
57.06999	7.6
65.03834	3.9
67.05430	73.1
69.06973	22.1
71.08540	50.5
79.05394	38.5
81.03322	23.9
81.06559	6.7
81.06974	88.7
83.08560	5.8
91.05396	29.7
93.06960	37.7
95.08528	58.2
97.06445	5.0
98.98405	67.2
99.04350	4.1
99.08020	26.0
105.06982	17.7
107.08514	24.5
109.02832	20.6
109.10086	18.7
113.09576	5.8
118.65074	4.5
119.08517	19.8
120.77565	4.5
121.10099	8.9
127.76922	4.6
127.89177	4.4
131.08507	7.9
135.11656	10.8
145.02872	4.5
145.10071	8.0
147.11650	25.7
236.50456	4.5
261.03763	7.0
279.23117	24.9
301.11838	5.9
313.10272	4.9
335.25690	54.7
353.26828	100.0
544.95459	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	613.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38126	2.8
54.63118	2.9
55.01806	4.8
55.05452	48.0
57.03369	18.3
57.07009	7.2
67.05424	76.1
69.06989	51.1
70.92572	3.1
71.08539	14.9
79.05405	39.2
81.03341	9.5
81.06972	71.4
83.04902	5.6
83.08527	19.9
91.05397	19.3
93.06976	41.9
95.08524	51.8
97.06455	4.8
97.10090	17.6
98.98396	54.7
99.08029	6.3
104.10708	4.8
105.06966	6.5
107.08535	29.1
109.02851	15.8
109.10101	26.6
110.57521	3.6
111.08056	4.8
116.99435	4.2
117.06924	6.5
119.04883	4.1
119.08562	7.3
121.10104	15.5
125.09610	6.2
131.08530	4.9
133.10114	6.6
133.39529	4.0
135.11635	8.1
136.61295	3.9
147.11652	7.0
149.13135	5.1
173.13115	6.4
177.05423	4.2
181.12331	5.1
188.21826	3.9
225.41087	4.5
243.21031	4.6
261.22119	4.9
279.23074	16.7
335.25763	33.9
353.26797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95098	6.6
55.62898	7.2
58.65549	7.1
62.03555	7.5
64.35873	8.1
92.10932	16.8
94.14946	8.2
106.25239	8.3
120.08064	8.2
144.85194	10.2
152.65791	7.7
153.08211	8.5
153.09413	9.2
189.81761	8.4
370.12552	8.9
428.74789	8.4
551.43567	9.5
613.42114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15088	0.6
53.69102	0.6
59.81221	0.6
62.84212	0.6
200.96291	0.8
202.31261	0.6
233.64812	0.9
296.26990	0.7
307.12079	0.8
335.21814	6.5
379.32373	0.8
451.53650	0.8
462.01743	0.8
595.42792	3.6
612.42834	1.7
613.44208	100.0
614.44653	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	613.4439
Annotation	Bengamide J
Peak:m/z	Relative Intensity
67.05421	0.4
81.06990	0.4
129.15314	0.4
135.11618	0.4
261.14795	0.5
280.26312	0.4
317.20801	5.8
335.21967	0.6
415.16751	0.4
434.95337	0.4
595.43256	35.6
596.43671	3.4
613.44275	100.0
614.44629	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	613.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99194	0.7
54.82652	0.6
58.83008	0.7
59.30907	0.7
65.86878	0.6
105.26012	0.8
127.69942	0.8
147.59326	0.8
176.12410	0.9
216.34892	0.8
280.88745	0.8
317.20807	1.2
333.20157	0.9
444.69916	0.8
449.83743	0.8
481.46011	0.9
484.58481	0.8
595.43188	29.2
596.43292	3.7
613.44281	100.0
614.44635	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	613.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41676	0.8
54.61242	0.8
55.05436	1.7
56.78013	0.8
57.07004	1.3
59.41193	0.9
63.65916	1.0
67.05420	2.4
81.06969	2.5
89.05952	6.8
93.06927	1.0
95.08539	2.0
119.55914	1.1
133.08572	1.3
148.66325	1.1
195.09892	41.9
195.11681	1.7
202.22250	1.0
301.21359	5.1
335.21866	59.9
336.22443	4.3
351.32800	1.1
357.71417	1.0
378.44733	1.1
383.12689	1.2
415.25204	1.4
612.42877	1.9
613.44208	100.0
614.44580	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	613.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66188	0.4
54.81678	0.5
55.05454	0.8
67.05431	1.8
69.07005	0.5
69.30335	0.4
79.05400	0.5
81.06986	0.9
83.08577	0.6
89.05958	1.1
92.10153	0.9
93.06985	0.9
94.15925	0.5
95.08543	0.8
103.65787	0.5
109.10127	0.5
138.03484	0.5
209.34962	0.5
317.20914	4.4
319.22226	0.9
324.21375	0.6
324.25418	0.7
578.99231	0.5
613.44250	100.0
614.44421	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	613.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	2.1
55.01794	2.5
55.05453	27.5
57.03366	3.4
57.07006	8.2
60.87447	1.3
65.34361	1.3
67.05428	44.1
69.06990	18.6
71.08556	1.8
79.05414	26.9
81.06973	37.5
83.08534	12.2
85.06474	1.7
87.15952	1.5
88.28461	1.4
89.05936	3.0
91.05406	23.8
93.06973	27.8
95.04891	2.1
95.08541	31.2
97.06461	2.4
97.10087	2.4
105.06979	37.8
107.08539	14.1
109.10094	11.0
117.06985	18.9
119.08534	33.8
121.10103	9.0
123.08047	2.1
123.11651	6.6
128.06209	1.7
129.06963	13.2
131.08525	34.1
133.10117	12.7
135.11652	2.9
137.13152	2.1
141.06927	2.2
143.08551	18.8
145.10088	24.8
147.11690	9.7
149.13339	1.9
155.08516	9.0
157.10092	9.9
159.11642	11.3
161.13242	9.2
167.08565	2.0
169.10103	5.1
171.11682	8.7
173.13200	11.1
175.14839	3.5
179.14410	1.5
181.10072	2.8
183.11617	2.6
185.13232	7.3
187.14804	6.0
195.11644	1.8
197.13165	2.2
199.14824	7.3
201.16325	5.4
208.95876	1.5
209.13176	2.3
213.16322	6.6
215.17868	2.8
225.16412	2.2
227.18005	5.3
242.39029	1.5
243.17360	2.1
261.21594	1.6
325.24832	1.8
333.20334	15.9
335.21838	5.7
521.43262	6.7
539.44128	6.1
595.45874	9.7
613.47247	100.0
614.45825	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	614.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	1.1
54.81839	0.9
55.05453	1.1
61.02824	0.9
69.03347	1.9
70.06508	5.2
71.04912	0.8
72.08057	3.2
75.88964	0.9
81.03329	6.8
83.04900	1.0
84.04423	1.0
84.08057	5.3
85.02820	5.8
86.09624	8.8
86.27795	0.8
89.03837	5.2
91.05414	6.3
93.06995	1.2
97.02822	4.4
99.04363	0.9
103.05393	0.9
103.12270	3.4
107.04936	0.8
109.02819	5.6
117.03336	15.3
118.06438	1.0
119.04893	11.3
121.06434	1.5
124.03913	1.2
125.33241	0.7
126.98806	0.8
127.03896	3.3
128.04861	1.7
132.04373	1.1
133.06383	1.0
134.99529	1.0
135.04379	3.1
145.02824	70.3
146.05981	89.1
147.04391	18.9
147.06300	1.6
149.05969	12.0
161.06073	0.9
162.05447	21.9
163.03827	1.2
167.07001	15.6
174.05528	6.5
175.03850	8.5
177.05429	100.0
178.05780	1.2
181.04913	1.7
181.08562	4.7
192.06508	1.3
193.08514	1.1
203.11687	0.9
204.10139	1.9
207.06514	13.0
211.09538	6.2
237.02600	1.3
256.04886	1.6
263.09061	3.2
264.01660	1.1
279.16995	23.3
282.02771	8.5
306.02914	1.2
329.40317	0.8
351.10706	1.1
513.81818	0.8
613.20941	1.0
613.33240	0.9
614.27155	35.9
614.65869	11.3
615.16052	5.4
615.26794	4.1
626.90753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26338	0.7
55.05447	0.7
57.03380	0.7
64.49894	0.6
69.03336	1.0
70.06506	8.8
70.09207	0.7
72.08067	1.9
72.25550	0.7
73.02808	0.9
81.03333	6.0
84.08066	3.9
85.02843	1.2
86.09613	4.7
89.03825	3.6
91.05402	3.8
97.02835	7.3
100.11189	1.6
103.12270	1.0
109.02821	6.5
111.04392	1.1
117.03336	17.1
119.04811	2.7
121.02805	1.4
124.03885	0.9
127.03854	1.5
128.04890	1.0
133.57503	0.7
135.04349	0.8
141.75693	0.7
145.02824	56.1
146.05991	100.0
147.04373	3.8
147.06322	1.5
149.05965	5.5
151.03873	0.9
161.28073	0.8
162.05478	11.5
174.05470	8.2
175.03871	1.6
177.05435	74.6
182.15329	3.0
192.06512	3.8
205.27132	0.8
207.06532	1.3
210.14795	1.8
279.14102	1.4
279.16971	25.6
282.02866	1.0
318.09799	0.9
348.17075	0.8
369.17929	1.0
467.76569	0.8
580.40515	0.9
597.42896	1.4
608.68689	0.9
614.26874	9.0
614.65466	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74737	0.3
62.80555	0.3
65.03874	0.6
72.08070	7.6
76.17992	0.3
78.76283	0.3
84.08059	0.8
89.03814	1.8
91.05403	7.8
92.10893	0.9
112.11214	3.2
117.03328	7.9
119.04890	23.4
129.13835	1.8
131.11189	0.4
141.83087	0.3
145.02817	29.3
146.16501	0.6
147.04384	100.0
148.04724	2.1
149.05942	3.7
155.11749	1.3
163.03868	0.6
172.14391	0.5
177.05428	42.4
178.05827	0.6
201.66919	0.4
203.11754	2.9
204.10158	48.8
205.10539	0.7
218.11685	0.4
221.12807	0.6
228.27681	0.3
234.11215	4.3
247.14413	1.6
248.12688	3.1
266.42477	0.5
274.19202	0.5
275.17474	7.6
292.20050	4.4
305.18433	1.4
322.21170	4.5
328.14896	0.3
435.21042	0.4
438.23807	5.0
450.17526	0.6
450.23767	17.0
451.22266	1.5
468.24841	35.9
469.24960	2.2
506.25653	0.4
545.59583	0.4
614.28625	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	614.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14587	0.2
53.00241	0.6
53.03883	0.8
55.01803	0.7
55.05449	20.4
57.03103	0.5
57.03372	15.2
57.06995	2.3
57.07232	0.3
65.03857	0.6
67.05425	42.9
69.06988	25.6
71.04895	1.5
71.08554	0.5
79.05404	12.7
81.03364	0.4
81.06971	42.4
82.07281	0.6
83.04887	0.5
83.08539	11.3
85.06458	0.8
91.05406	8.1
92.10220	0.4
93.06970	11.2
93.41028	0.3
95.04897	0.6
95.08530	31.7
97.06447	2.3
97.10095	4.6
98.98390	7.3
99.08015	0.6
105.06969	5.3
107.08532	5.4
109.02839	0.7
109.06425	0.5
109.09401	0.5
109.10098	11.0
111.08027	0.7
111.11684	0.7
119.08530	5.2
121.10111	4.2
122.02583	0.4
123.11650	4.9
133.10083	4.3
135.11678	2.5
137.09575	0.4
137.13216	1.5
147.11644	2.5
149.13245	1.5
155.01028	2.0
161.13231	1.6
163.14825	0.5
165.12689	0.4
175.14748	0.6
194.55391	0.4
204.76967	0.3
235.66443	0.3
245.22580	0.5
263.23755	1.5
317.06366	0.5
337.27286	100.0
338.27625	5.6
411.95529	0.4
495.20663	0.4
508.86890	0.4
529.48523	0.4
561.27991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50436	0.2
55.05456	0.2
63.02303	0.5
67.57758	0.2
69.99492	0.2
70.06504	0.3
72.08076	4.7
74.91563	0.2
77.57275	0.2
78.04626	0.4
79.05412	0.4
83.91112	0.2
89.03838	13.2
91.05407	1.4
92.10876	0.5
95.04894	0.5
96.68388	0.3
98.05981	0.2
103.05346	0.4
106.04108	0.5
107.04895	0.4
117.03332	47.3
118.03652	1.0
124.05189	0.5
130.06512	0.3
134.03622	3.6
135.04373	4.8
145.02827	100.0
146.03156	2.5
146.05989	0.5
147.04430	0.5
149.05962	15.8
162.03146	0.3
163.03859	0.9
171.24248	0.2
177.05438	93.5
178.05769	2.0
186.05472	2.0
191.06978	0.9
201.05342	7.0
207.06660	0.4
235.07416	0.4
237.08891	0.3
256.05994	5.5
263.06985	1.6
265.08627	1.0
280.07263	0.5
291.06482	2.4
296.10303	0.4
297.11176	0.5
298.10757	0.5
323.09048	9.7
330.06226	0.3
341.11328	1.3
394.16336	0.6
422.15903	3.7
439.18570	21.9
440.18970	1.8
615.23285	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	615.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62949	1.1
54.73289	1.1
55.05446	1.2
57.07000	1.1
57.21261	1.2
64.77542	1.0
67.05425	10.7
76.75009	1.2
77.00813	14.6
79.06823	1.1
81.06963	10.5
93.06966	2.4
95.01871	27.2
95.08513	6.4
105.06982	1.7
109.10078	2.7
121.10115	1.9
131.01846	2.6
131.12404	1.3
133.10170	1.8
142.25768	1.2
147.11618	1.3
149.02960	10.0
171.05037	1.2
175.08061	1.7
176.22383	1.2
185.06456	1.4
187.08093	2.8
191.07639	1.8
203.07571	2.3
205.09183	2.5
209.13890	2.6
219.10629	2.1
231.12271	5.8
245.17403	3.0
247.11606	2.3
249.13155	1.4
261.13269	1.7
267.14133	2.0
271.19003	1.7
299.18506	8.3
301.20023	21.6
315.18015	2.9
317.19534	40.1
319.21097	100.0
320.21307	2.8
321.22739	8.5
335.20639	10.1
337.22147	99.1
338.22198	5.3
342.22760	6.8
355.23135	5.5
360.23959	1.4
386.19556	1.6
489.14890	1.4
579.42389	26.4
597.43268	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	615.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	3.7
58.99791	1.7
67.05436	3.3
69.06980	10.6
69.84223	0.7
77.00820	15.7
78.00901	0.9
81.06979	2.9
83.08524	0.9
86.21896	0.8
93.06963	1.0
95.01870	19.0
95.08518	1.6
97.10076	0.7
105.06930	1.1
109.10138	0.8
109.67966	0.7
110.07146	1.5
121.03395	0.8
131.01826	1.4
134.79762	0.9
137.80177	0.7
147.05037	1.0
149.02943	3.0
149.06584	1.0
161.06599	1.5
173.06583	1.1
175.08148	1.0
187.08086	2.0
189.05936	0.9
191.11226	1.3
197.10225	1.0
201.09650	5.2
204.04543	0.8
205.09201	3.5
213.09636	3.5
215.11261	12.1
219.10800	6.2
219.14391	1.1
225.09543	1.0
227.11179	1.6
229.12752	1.2
231.10712	7.1
233.12320	8.5
239.11288	3.0
243.10635	1.9
243.14334	0.9
244.11336	1.2
245.12172	6.4
245.15884	1.1
253.12743	1.2
255.14154	0.9
257.12378	5.9
261.40619	0.8
271.13818	5.3
301.20041	3.5
307.21124	5.3
317.19589	1.5
319.21045	21.1
325.22202	6.1
337.22171	100.0
338.22388	4.6
355.23209	32.1
360.23721	9.7
458.67172	1.0
491.32007	4.3
536.39520	0.8
589.28369	0.8
615.44635	17.8
641.08655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	1.2
55.20047	0.7
58.99788	1.8
62.88352	0.7
67.05421	1.5
77.00820	16.7
81.06972	5.1
83.08534	0.9
95.01868	27.2
95.08521	3.2
109.10109	1.4
110.07101	1.2
131.01910	1.6
135.05034	1.0
136.30687	0.8
140.62512	0.8
149.02910	3.6
154.41351	0.8
159.05052	1.0
161.13084	0.8
169.10672	1.0
187.08168	0.8
191.11319	3.5
201.09735	1.2
203.11327	0.8
205.12938	0.9
215.11250	11.5
217.10895	0.8
223.11728	5.1
227.11269	3.5
227.20007	3.1
229.12836	5.3
233.12292	9.0
237.13249	3.0
241.12798	20.9
243.14328	6.2
245.12268	1.0
247.13803	3.1
253.12794	10.2
255.14323	13.8
259.13937	1.7
261.15414	4.1
271.13815	16.7
273.15424	1.8
289.20181	0.8
301.20068	1.2
307.21100	10.0
317.19516	3.0
319.21106	24.6
325.22195	18.0
325.25803	1.5
326.22324	0.9
337.22159	100.0
338.22446	6.0
342.22736	1.2
343.23257	3.1
355.23212	44.4
355.27628	1.5
356.23279	3.4
360.23740	9.7
378.24820	3.0
404.97519	1.0
452.51898	1.0
531.35376	1.2
615.44641	20.9
616.44244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26170	0.6
65.00631	0.6
76.56312	0.8
107.23302	0.7
110.58057	0.7
119.56194	0.7
124.42573	0.7
133.80782	0.8
195.09926	3.8
235.13010	1.6
299.20676	0.8
335.21854	16.6
335.84772	0.8
615.45831	100.0
616.46332	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	615.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46838	0.8
81.06961	0.9
89.05965	1.6
90.04012	1.0
118.28294	0.9
133.08559	1.1
149.05544	1.1
195.09929	1.1
235.12964	8.2
303.22815	3.8
335.21805	33.2
335.25607	1.7
336.22214	1.6
615.45831	100.0
616.46167	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	615.459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52909	0.9
57.07010	2.3
57.36782	1.0
57.66476	1.0
66.86621	1.0
69.81728	1.1
71.08536	1.5
73.02831	2.2
78.67434	1.1
79.42428	1.0
81.06989	1.3
89.05970	12.6
98.09599	1.0
133.08597	2.2
195.09872	47.8
307.94385	1.2
335.21848	60.3
336.22397	2.5
509.66568	1.4
615.45831	100.0
616.45959	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	615.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80373	1.3
63.29885	1.2
79.57668	1.3
83.31043	1.2
89.05965	9.4
93.20682	1.3
94.53037	1.5
112.20857	1.3
133.08597	3.0
173.80472	1.6
203.82451	1.5
231.03764	1.8
240.23804	1.5
254.14981	1.6
290.23450	1.4
303.44943	1.4
335.21848	46.5
378.42822	1.5
415.25259	1.9
615.45880	100.0
616.46246	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	615.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32885	0.6
64.58303	0.6
89.05934	0.9
173.41853	0.9
193.57086	0.7
277.11771	0.7
317.20871	3.2
335.17786	1.5
335.21844	44.4
336.22189	3.2
373.02100	0.7
615.45801	100.0
616.46204	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49232	2.1
54.81847	2.6
55.05447	36.7
57.03352	3.3
57.07003	6.3
60.99846	2.6
67.05423	44.5
69.06982	24.9
79.05413	35.3
81.06975	50.2
83.08533	17.1
89.05937	16.6
90.26469	2.8
91.05405	22.6
93.06959	43.2
95.04844	2.9
95.08532	39.5
97.06507	3.2
97.10099	3.6
105.06973	28.6
106.79529	2.7
107.08568	19.1
109.10094	17.4
117.06947	4.3
119.08516	29.3
121.10084	14.6
123.07932	3.0
123.11642	4.6
129.06892	4.1
131.08536	22.4
133.08545	3.8
133.10089	20.1
135.11644	6.5
143.08559	5.0
145.10081	18.4
147.11656	14.0
157.10051	4.2
158.58842	3.4
159.11630	10.8
161.13232	5.0
163.14716	4.1
169.94687	3.0
173.13242	4.2
175.14807	4.4
187.14658	4.1
261.22003	3.9
597.48291	11.9
615.49744	100.0
615.59131	4.9
616.49591	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	616.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28890	0.5
56.04976	0.7
57.72631	0.6
58.19177	0.6
58.95182	0.6
69.03334	1.3
70.06500	4.7
72.08051	3.6
75.63409	0.7
77.08298	0.7
81.03327	1.5
84.04430	1.6
84.08054	3.5
85.02814	3.0
86.09599	1.3
95.04864	0.7
97.02788	1.6
100.08656	0.7
107.04914	0.8
109.02843	1.2
110.07085	1.5
116.98548	0.8
117.03341	1.0
117.13097	0.7
119.04895	1.3
127.03873	1.0
129.10173	1.2
130.06439	1.2
133.06418	0.7
142.61441	0.8
145.02785	6.4
147.04353	4.2
162.05411	4.0
163.03751	1.0
163.99908	0.7
167.06981	3.6
169.13054	0.7
171.87015	0.8
177.00658	0.7
177.05409	7.1
185.02647	1.3
185.04170	19.1
194.41824	0.8
201.05444	1.0
217.04683	5.3
217.08478	1.3
233.98874	0.8
242.68085	0.8
247.07327	0.7
260.08722	1.4
264.89688	0.7
323.09045	3.4
323.12872	0.9
330.10770	1.1
351.55862	0.8
379.09897	100.0
380.10062	6.2
383.14804	1.8
439.18442	1.6
494.65787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03859	0.6
55.01774	0.4
56.96470	0.3
57.03342	0.4
69.03342	2.5
70.06498	2.9
72.08065	15.4
73.02777	0.7
73.05614	0.3
79.05385	0.4
81.03288	2.4
84.04385	1.8
84.08030	2.1
85.02814	2.8
86.09615	0.5
89.03831	8.1
89.10730	2.7
90.20830	0.3
91.05396	3.4
97.02813	3.9
98.05946	0.7
99.04366	0.7
107.04877	0.8
109.02830	2.7
110.07100	0.4
110.89208	0.4
112.11172	0.9
113.02246	0.7
114.09074	0.6
115.08656	0.6
116.04930	10.5
117.03324	24.8
118.03617	0.5
118.06464	0.6
119.04884	4.4
127.03908	2.5
128.04900	1.7
129.13808	0.6
130.05028	0.5
130.06445	0.8
134.03568	1.5
135.04379	11.0
144.04422	1.7
145.02818	85.8
146.03189	1.7
146.05984	35.1
146.99577	0.5
147.04387	20.7
147.06223	1.2
148.03871	8.1
148.05980	0.5
149.05952	8.2
151.03874	0.8
151.88969	0.3
152.07141	0.3
162.03091	0.5
162.05437	2.5
163.03864	46.5
164.04196	1.4
169.04880	0.5
172.03893	50.0
173.04236	2.0
175.03877	0.7
177.05428	100.0
178.05786	4.6
186.05435	0.7
190.04933	3.3
197.35826	0.4
203.11813	2.4
204.10167	10.2
207.06403	0.7
208.06064	0.5
220.09615	6.9
234.11253	0.7
246.11156	0.5
248.12770	6.3
265.15393	30.5
266.15839	1.7
274.19156	0.9
275.17520	1.4
287.04428	0.8
291.16998	1.3
292.20251	1.8
302.65131	0.5
308.19568	0.6
316.08087	0.7
334.09341	2.2
404.18335	0.4
454.23648	1.4
470.25259	2.3
533.51270	0.4
580.23187	0.5
598.24121	1.5
599.25385	0.4
616.28168	19.8
617.15985	0.7
617.27936	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	616.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39856	0.2
53.03886	0.5
53.24825	0.2
55.05444	0.4
63.02286	0.2
69.03354	0.7
70.06510	3.2
72.08065	5.6
73.02847	0.5
81.03341	2.4
81.03723	0.2
84.04426	0.5
84.08048	0.7
85.02824	1.7
86.09615	0.4
89.03825	4.2
89.04227	0.2
89.10715	2.4
90.03656	0.3
91.05388	1.2
97.02810	2.8
98.05962	0.5
103.05405	0.3
109.02831	3.9
110.06015	0.3
114.09154	0.5
115.08643	0.5
116.04919	0.4
117.03324	16.1
119.04865	1.4
122.23386	0.3
124.05182	0.3
127.03881	1.2
133.10118	0.4
134.03540	1.1
134.05977	3.1
135.04390	1.4
144.04401	1.7
145.02820	55.6
146.03168	1.8
146.05995	1.5
147.04390	2.5
148.03859	1.5
149.05962	6.6
151.03844	0.4
162.05464	100.0
163.03824	1.5
163.05849	3.0
167.06955	0.4
177.05428	78.3
178.05759	2.5
181.05037	0.3
186.05440	1.5
190.04916	7.2
191.05348	0.3
208.05998	4.8
216.71167	0.3
246.11142	0.3
248.12717	4.5
259.09543	0.3
265.15402	29.6
266.15735	0.6
270.07605	0.5
282.02655	0.4
307.16678	0.4
334.09094	1.1
404.18015	0.4
580.22150	0.5
616.24640	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	616.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02314	0.6
53.03882	3.7
55.01807	7.3
55.05451	0.6
57.03353	1.3
61.02852	1.4
63.02512	0.6
65.03862	6.2
67.05424	1.4
69.03355	5.2
70.06503	5.7
71.04899	1.3
72.08057	1.2
72.73727	0.6
75.04388	7.4
75.98540	0.6
77.03837	0.6
78.04632	4.7
79.05408	6.5
81.03335	5.1
84.04405	1.1
84.08063	1.4
85.02821	15.1
86.09642	1.2
89.03832	3.1
89.05932	0.9
90.54185	0.6
91.05399	27.3
93.03329	19.1
93.06961	14.2
95.04887	16.1
97.02802	5.6
97.06453	6.6
103.05402	17.0
105.04485	2.1
105.06971	19.1
106.04111	65.8
107.04890	4.3
109.02836	3.6
109.06483	2.6
110.07153	1.2
111.04392	2.7
115.05376	4.0
117.03317	5.3
118.04165	1.4
119.04897	3.6
121.06455	73.4
123.04381	2.5
123.07989	1.4
124.05168	2.9
125.05946	16.4
125.46268	0.8
127.03877	3.0
131.04901	6.1
131.05954	1.3
133.06448	18.1
134.03592	11.5
135.04330	3.2
135.08076	0.7
137.05956	9.7
138.06650	3.0
139.07526	6.4
145.02824	14.9
145.05014	1.0
146.03148	2.6
146.05984	13.5
147.04439	4.6
147.06311	5.1
148.05128	5.6
149.05946	100.0
150.06548	1.0
151.03897	3.0
151.07527	4.1
152.08235	2.1
153.05399	3.1
153.09073	20.9
161.05933	21.1
162.05403	5.8
163.05939	0.6
163.07466	6.1
165.05362	1.6
166.06218	3.6
167.07043	7.6
167.08246	0.9
174.05452	0.9
175.03821	1.0
177.05423	50.2
178.05705	5.6
180.07738	0.9
181.08546	32.7
181.10098	1.4
191.06987	8.4
193.08554	19.0
209.08043	94.1
210.08408	2.5
279.10092	0.8
279.16907	1.3
280.17264	1.0
282.02728	1.1
369.13431	2.5
371.13351	1.2
374.22501	0.6
440.73886	0.7
504.71579	0.7
617.22144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97588	0.5
53.03889	4.5
54.47789	0.5
55.01815	7.9
55.05455	0.7
55.47678	0.5
55.85254	0.5
57.03361	2.4
59.57487	0.5
61.02849	0.8
65.03864	5.5
67.05428	1.4
69.03349	1.1
70.06511	6.9
71.04881	0.5
72.08073	1.4
75.04398	10.0
76.56133	0.6
77.03786	0.8
78.04620	4.3
79.05375	4.4
81.03333	3.4
81.06969	1.1
84.04430	1.1
84.08065	2.6
85.02824	9.9
86.09619	1.5
89.03847	2.8
89.05938	1.1
89.73017	0.6
91.05410	31.6
92.05733	0.6
93.03333	21.2
93.06972	14.3
95.04899	14.7
97.02834	2.7
97.06450	6.6
98.97446	0.5
103.05402	11.1
105.03314	0.9
105.04488	1.1
105.06980	3.8
106.04116	68.1
107.04901	3.3
109.02796	1.5
109.06468	3.2
110.03698	0.6
110.07190	1.1
111.04378	2.2
115.05402	0.6
117.03343	4.3
118.04144	0.6
119.04912	6.7
121.02828	3.3
121.06455	70.2
122.03503	0.6
122.07154	0.7
123.04368	2.5
124.05199	1.3
125.05956	17.0
131.04903	3.4
133.06464	3.9
134.03615	10.5
135.04381	3.3
137.05954	9.6
138.06734	2.9
139.07547	6.4
145.02846	8.0
146.05989	8.2
147.04388	7.6
147.06239	2.0
148.05154	6.0
149.05962	100.0
150.06334	2.6
151.03897	1.2
151.07526	5.4
152.08316	1.4
153.05446	3.5
153.09081	23.3
159.08064	0.7
161.05946	3.8
162.05420	8.1
163.03853	0.9
163.07503	5.5
165.05542	0.7
166.06227	3.1
167.07016	5.5
174.05339	0.7
175.03835	2.9
177.05438	46.6
178.05783	2.4
181.08549	31.2
181.10075	1.4
191.06993	3.5
193.08623	1.2
200.22304	0.6
207.06493	2.6
209.08064	92.5
210.08437	3.4
219.07912	0.7
245.18985	0.7
264.07654	0.7
282.02756	1.0
307.09555	0.7
383.14828	2.2
387.14240	4.2
419.16635	0.9
615.66492	1.1
616.27795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04950	0.4
56.96486	0.8
57.03356	0.4
69.03351	3.2
70.06472	2.0
72.08071	18.6
73.02785	2.3
74.05949	0.3
79.05388	0.8
81.03329	3.1
84.04439	5.7
84.08083	2.9
85.02837	3.4
85.03255	0.5
89.03832	8.9
89.10680	1.7
91.05401	3.3
95.04869	0.3
96.26954	0.3
97.02823	2.6
98.05968	1.5
98.54897	0.4
102.05473	1.4
107.04897	2.7
107.16150	0.3
107.72764	0.4
109.02834	2.7
110.07085	0.6
112.11208	2.8
114.09122	0.4
116.04914	3.6
117.02570	0.7
117.03329	15.5
118.06464	0.4
119.04086	0.5
119.04903	9.4
126.77409	0.4
127.03851	1.9
128.04903	0.5
129.10204	0.7
129.13765	1.5
130.04973	2.5
130.06480	5.3
134.03598	0.5
135.04381	21.5
136.07584	0.6
144.04413	0.6
145.02831	51.5
146.03145	1.6
146.05992	18.3
146.16475	0.4
147.04390	42.8
147.07661	1.4
147.11128	0.4
148.02905	0.4
148.03813	2.5
148.05986	1.2
149.05957	4.4
155.11742	0.8
158.05989	0.4
162.03154	0.5
162.05481	1.4
163.03871	100.0
164.04219	2.8
172.03902	22.0
173.04185	0.4
176.07076	1.8
177.05437	49.6
178.05757	1.9
178.27098	0.3
186.05460	0.7
188.08850	0.4
190.05003	0.6
191.03821	0.7
192.10040	0.4
197.54445	0.7
200.04539	0.4
203.11768	5.5
204.10170	22.9
205.10495	0.7
208.05962	0.7
218.11826	0.6
219.11314	1.4
220.09660	18.6
220.11815	0.6
221.09872	0.5
221.12796	0.8
234.11176	3.1
237.02736	0.5
248.12787	2.8
265.15430	14.2
266.15863	0.5
268.04840	2.2
274.19247	2.9
275.17542	0.9
291.17029	3.1
292.20203	3.9
308.19528	2.8
316.08304	0.4
382.15103	0.5
399.17715	0.6
416.69061	0.4
423.11758	1.4
423.61401	0.5
437.21402	0.4
453.22467	0.8
454.23206	3.6
470.25186	5.2
489.13452	2.6
489.64496	0.5
490.14725	0.5
598.24585	0.6
599.25983	0.6
616.28693	38.8
617.28900	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	616.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01501	0.7
50.45104	0.8
52.04189	0.8
53.00265	0.7
56.96478	1.0
58.38620	0.7
60.85999	0.8
69.03357	4.4
70.06509	6.0
72.08070	18.0
76.99174	1.0
81.03333	1.6
84.04417	2.2
84.08054	4.5
85.02818	1.7
91.05428	7.4
93.07029	0.9
97.02824	5.1
112.11209	1.1
116.07026	1.5
116.98660	1.0
117.03338	2.1
119.04909	19.6
120.05238	1.1
120.08060	1.1
121.02830	1.6
127.03969	1.3
135.04356	1.9
136.07515	0.9
137.05882	1.3
144.04398	1.1
145.02852	10.5
146.05975	1.0
147.04390	100.0
148.04732	3.8
149.05981	1.3
162.05417	7.0
163.03860	20.3
167.06889	1.4
177.05437	12.3
200.39363	0.9
203.11798	1.1
204.10168	26.7
205.10674	1.2
218.11749	1.5
219.11362	1.4
220.09555	6.6
237.02780	1.3
237.88628	0.9
266.03455	1.0
275.17648	1.8
279.16962	1.2
281.38943	1.1
301.90677	1.0
308.19446	1.1
366.15259	1.0
437.22244	1.4
454.25528	10.2
616.28656	30.5
617.28687	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	616.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32580	1.1
55.01804	1.6
55.05434	7.9
56.04976	1.3
56.96499	2.2
58.99512	6.9
59.72571	1.2
65.03859	2.0
66.65205	1.1
67.05428	17.6
69.06980	2.9
71.08530	11.8
72.08060	1.2
72.09624	1.1
76.02137	22.7
79.05403	9.1
79.86346	1.2
80.04939	1.6
81.03323	6.0
81.06974	9.9
83.06016	2.7
84.04427	18.9
84.95950	6.5
85.02792	1.8
86.00572	1.8
86.98975	2.4
89.03853	9.9
91.05396	8.2
92.10271	1.3
93.06960	6.0
95.04899	2.1
95.08527	10.8
97.01060	5.1
97.10101	1.4
98.97510	1.8
99.08021	6.3
105.06962	3.0
107.04882	1.7
107.08515	5.2
109.02836	7.8
109.10091	10.0
111.02600	1.7
112.02160	2.3
113.00522	3.1
114.03713	1.5
116.01642	12.6
117.03336	32.9
117.06949	2.4
119.04875	3.1
119.08553	5.3
121.06433	1.6
123.02529	1.5
123.11514	1.3
124.02186	1.7
126.03695	8.9
127.03885	1.4
129.06564	2.4
130.04976	6.4
134.03592	1.6
134.99617	2.5
135.08034	1.7
137.04210	2.0
137.09554	2.5
138.03772	1.7
139.02072	3.2
139.05736	5.0
140.05165	1.3
142.03178	2.0
143.02776	2.7
144.01103	7.0
145.02824	78.6
145.06049	2.0
146.03204	1.6
147.04405	2.9
149.01222	2.4
149.05933	8.4
150.03651	1.4
151.11142	1.8
153.00626	1.4
153.03716	1.8
159.11761	1.7
162.02170	8.3
168.08423	10.5
170.02617	1.7
170.09921	3.2
173.11658	2.3
175.11079	1.3
177.00668	6.2
177.05440	100.0
178.05771	2.0
179.04845	5.9
179.08884	1.4
182.09970	6.9
185.03778	2.9
189.03313	1.6
201.00684	1.7
202.77808	1.4
207.08400	1.5
219.01775	2.3
231.04367	10.3
233.05835	6.9
243.10405	5.7
248.10788	2.4
250.12508	3.2
261.02747	1.4
266.12061	5.2
268.13544	3.1
271.35938	1.4
277.16138	1.4
285.12585	5.5
287.04364	6.0
291.19531	10.0
305.15668	1.6
317.81012	1.4
320.20712	1.6
323.16632	5.4
348.19824	16.3
349.18253	1.9
366.20868	19.2
371.16016	1.6
394.20526	3.0
400.61752	1.2
405.21967	1.7
419.06256	2.1
423.23370	2.2
424.39026	1.6
437.07321	1.8
441.19916	6.1
451.22421	7.0
461.07224	3.2
469.23560	93.8
470.24728	1.6
541.25812	13.9
598.27423	5.3
616.29187	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	616.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90004	0.4
54.81649	0.4
55.05443	0.9
56.96498	5.7
57.03367	0.3
57.07001	0.4
57.34837	0.3
58.06527	1.7
60.08097	9.2
67.05426	2.7
69.06987	1.1
71.07298	4.7
72.08054	0.6
72.95930	0.4
77.75121	0.4
79.05414	0.8
81.06976	2.7
83.08542	0.5
86.09628	18.4
93.06982	0.5
95.08535	2.5
97.61770	0.4
98.98399	2.1
102.92563	1.0
104.10682	100.0
105.11010	1.0
109.10078	0.5
124.99995	0.6
138.85992	0.5
146.99623	0.7
154.94145	1.0
165.00684	0.6
172.95219	7.0
174.49817	0.4
180.95732	0.7
187.55675	0.5
189.04321	0.6
190.96230	8.3
198.96774	14.2
210.96767	0.5
216.97823	23.8
217.07512	0.5
221.98299	0.5
228.97791	3.5
232.75943	0.6
234.98618	0.5
254.99319	1.0
270.71307	0.5
284.73859	0.4
317.17847	20.5
335.18878	15.9
337.27216	1.7
338.27740	0.6
339.28671	1.9
358.20535	1.0
437.17529	0.6
441.16937	0.6
471.17990	2.9
497.19662	1.7
500.24533	5.1
556.27094	13.6
616.29175	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	617.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80041	0.5
66.72937	0.6
69.03342	1.0
70.06505	4.7
72.08072	1.3
74.18409	0.6
81.03329	3.0
82.23484	0.6
84.08060	2.5
85.02813	1.2
86.09631	3.5
89.03835	5.9
91.05407	2.7
97.02824	1.3
109.02811	3.1
110.07120	1.1
117.03324	23.0
119.04898	3.6
124.03909	1.3
129.10173	0.7
134.03621	1.3
134.05937	0.7
135.04362	2.8
145.02823	82.1
146.03145	1.0
146.05952	5.2
147.04408	9.6
149.05952	10.1
152.07028	1.0
162.05455	7.4
163.03908	1.2
163.05803	0.9
177.05431	100.0
178.05785	1.5
190.05025	0.8
207.06496	0.9
279.16977	14.4
282.02795	0.9
306.54007	0.6
316.65533	0.6
339.10632	1.1
443.33493	0.9
557.34583	0.7
558.12323	0.7
617.27051	6.4
618.43518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	13.3
57.03365	10.4
67.05426	50.9
69.06988	11.5
79.05409	27.6
81.06966	34.0
87.90142	1.9
91.05405	10.8
91.85932	1.8
93.06986	22.3
95.04908	2.7
95.08530	22.9
105.06968	4.2
107.08504	8.9
109.10118	7.9
119.08611	2.6
120.96539	2.5
121.10088	3.8
137.05920	2.2
174.98502	9.8
178.90945	1.9
181.25150	2.2
191.36995	2.5
203.05205	10.1
212.99994	4.7
261.79877	2.5
265.00604	2.2
283.01840	100.0
309.82291	2.4
335.25598	20.0
617.26721	39.9
618.26697	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	617.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03356	0.9
69.06989	0.6
70.06509	11.4
72.08067	5.2
79.05434	0.9
81.03332	4.3
84.04421	0.9
84.08062	1.0
85.02822	2.2
85.08492	0.5
85.46001	0.5
86.09630	5.8
89.03831	7.7
89.10690	1.2
91.05400	3.7
97.02809	0.6
98.05961	0.6
103.05415	2.2
105.06962	2.0
107.04904	0.6
109.02796	0.9
115.08662	0.8
117.03329	26.6
119.04910	4.7
120.08079	5.6
121.02835	0.6
124.03908	1.3
125.12389	0.6
127.50992	0.5
130.05008	1.2
132.05655	2.4
133.04477	0.5
133.06490	0.7
134.03635	0.7
134.14014	0.5
135.04350	1.2
145.02820	89.6
146.03201	1.1
146.06017	5.2
147.04387	7.0
147.07626	3.1
148.05174	6.1
149.05949	8.8
160.05235	0.7
162.05444	7.7
163.03833	1.0
163.06053	1.0
163.07500	19.9
175.03841	2.2
176.04669	2.0
177.05431	100.0
178.05850	3.1
186.05443	0.7
191.06999	83.0
192.07428	1.3
207.06509	1.2
244.12817	6.3
248.12772	3.9
256.19827	0.6
265.15396	24.8
266.15710	0.7
279.17203	0.5
335.11145	2.4
353.12219	3.3
515.67719	0.5
617.26984	10.6
618.27283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72182	2.5
54.56878	2.2
59.66642	2.5
64.33667	2.2
65.49654	3.0
67.19942	2.3
83.00397	2.4
92.55798	2.5
92.82080	3.1
155.04692	2.8
195.09831	24.3
235.12982	12.0
325.25888	2.8
335.21848	46.0
336.22293	4.2
453.60995	2.9
617.47498	100.0
618.47589	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	617.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04609	2.2
67.05424	3.2
68.39284	2.9
73.84773	2.4
81.06915	2.6
94.09108	2.3
94.17514	2.3
95.08598	2.7
118.84131	2.5
123.29758	2.4
124.26657	2.5
335.21771	13.1
336.22174	5.2
337.22394	3.2
616.45844	5.6
617.47125	100.0
618.47437	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	617.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	13.1
57.07005	4.2
63.53642	3.1
65.06949	3.2
67.05417	3.3
69.06967	13.4
71.08533	16.7
72.04430	100.0
81.06966	14.2
83.08498	5.0
91.05379	3.6
93.06967	5.3
95.08505	6.3
97.06480	3.0
99.08019	4.4
100.07523	3.0
101.90301	2.8
107.08497	10.0
109.10088	4.4
114.09106	15.7
121.10066	3.9
127.70467	3.5
128.10637	5.6
150.28513	2.8
156.13815	4.1
156.38326	2.7
156.70233	3.0
165.12735	3.7
169.22833	3.0
182.73302	3.1
221.92154	3.3
238.21620	15.5
276.36249	3.0
282.27872	74.1
291.23123	16.7
336.28925	92.9
337.29007	4.2
420.01669	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	618.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	0.6
53.03888	0.7
53.70782	0.3
54.57676	0.3
55.01801	2.5
55.05453	3.5
57.03348	0.6
57.07006	5.1
58.99527	3.4
64.89125	0.4
65.03860	0.5
67.05081	0.4
67.05430	12.6
68.08343	0.4
69.03333	0.7
69.06978	3.3
70.02877	0.6
71.04900	1.0
71.08542	14.0
72.80516	0.4
74.00588	0.5
76.02138	24.8
76.03914	2.3
79.05417	5.3
81.03336	16.5
81.06968	7.1
83.04878	1.1
83.06037	0.5
83.08525	0.8
84.04428	8.1
85.03946	2.9
85.06446	3.1
86.98989	0.9
91.05403	7.2
92.01653	0.6
93.06960	8.1
95.04890	19.9
95.08537	9.8
97.06461	0.8
97.10117	0.5
99.08023	9.6
105.06971	4.1
107.04906	0.7
107.08530	2.6
109.06469	1.1
109.10091	5.5
111.08027	0.7
112.03918	0.6
112.28644	0.4
113.03444	0.6
116.01624	8.2
117.06957	2.6
119.04843	0.5
119.08538	4.0
121.06474	0.7
121.10080	1.8
127.11157	0.4
130.04948	5.3
131.04475	1.9
131.08498	3.4
133.10115	3.3
135.08020	1.6
135.11626	0.8
137.09554	3.1
139.11104	0.9
141.04750	0.4
141.06911	0.6
141.09074	2.9
142.03207	2.9
143.08534	0.8
144.01149	4.3
145.06026	0.6
145.10072	1.1
147.04399	0.9
147.11647	0.6
149.09599	0.8
149.13225	1.0
151.11151	100.0
152.11502	2.1
154.75858	0.4
159.11632	3.1
161.09590	2.9
162.02150	9.5
165.12715	2.3
170.02705	1.0
173.11641	0.6
177.03255	3.8
177.05421	0.7
177.12700	8.5
179.04820	11.2
185.03699	0.8
187.05295	0.6
191.14310	1.8
221.41881	0.5
229.19475	0.5
231.04309	1.0
233.05919	3.3
247.20663	0.5
257.18896	2.3
275.20023	3.8
293.21042	71.9
294.21426	2.6
303.01813	0.5
308.09036	20.2
309.09528	0.5
328.93240	0.4
405.32703	0.5
420.88577	0.5
537.13806	0.5
538.62256	0.6
628.06000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69973	0.4
53.03873	0.5
55.01806	1.2
55.05445	4.2
57.03373	0.6
57.07003	5.5
58.00801	0.5
58.99517	3.1
67.05426	11.3
69.03336	0.7
69.06981	3.4
69.07310	0.5
70.02879	0.5
71.04893	1.1
71.08551	13.8
74.00574	0.6
76.02141	17.1
76.03910	2.6
79.05416	5.8
81.03337	14.8
81.06974	6.4
83.04912	2.4
83.06023	0.7
83.08551	0.8
84.04424	8.7
85.03951	2.3
85.06459	4.0
86.98978	1.1
91.05412	6.0
93.06973	6.4
95.04896	21.1
95.08539	9.1
97.06454	1.0
99.08015	9.2
105.06974	4.1
107.04871	0.6
107.08566	2.7
109.06503	1.1
109.10108	4.9
111.08073	0.7
116.01600	5.8
117.03358	0.5
117.06957	1.3
119.04893	0.7
119.08547	3.5
121.06470	0.7
121.10104	0.9
123.08012	0.6
123.11588	0.5
130.04987	6.9
131.04492	1.1
131.08559	2.3
133.10110	3.6
137.09592	3.2
139.11157	2.5
141.09090	3.3
142.03232	1.1
144.01122	2.0
145.02843	0.7
145.06165	1.0
145.10132	0.8
147.04362	0.5
149.09550	0.6
149.13222	0.8
151.11154	100.0
152.11481	2.4
157.10196	0.5
159.11653	3.6
161.09602	2.9
162.02182	7.4
162.72951	0.5
165.12746	3.7
170.02745	0.7
173.13152	0.8
177.03236	3.9
177.05530	0.9
177.12700	7.6
179.04814	9.7
179.10699	0.7
179.14136	0.6
185.03784	2.0
187.05354	0.6
187.11203	0.7
191.14319	2.1
201.12636	0.7
229.19398	0.6
233.05859	2.5
247.20540	2.1
252.82628	0.6
257.19043	1.0
266.03473	0.8
275.19992	3.5
293.21042	73.3
294.21414	3.4
303.12320	0.5
308.09076	18.0
308.42755	0.6
309.09369	0.7
454.20602	0.6
471.25027	0.7
534.05200	0.6
595.69440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38842	0.2
51.23185	0.2
54.81503	0.2
56.04966	0.6
56.51891	0.2
56.96504	5.6
58.06531	0.6
60.08095	9.4
67.05409	0.4
71.07290	5.5
71.95193	0.2
72.08051	0.6
74.97522	0.3
75.46025	0.2
86.09628	18.5
90.49303	0.3
102.92531	1.3
104.10678	100.0
105.11015	0.4
111.40340	0.3
111.48506	0.2
119.09374	0.2
124.99945	0.5
135.90501	0.2
136.93080	0.4
154.94147	1.3
155.03746	0.3
165.00708	0.4
172.95190	6.7
174.63016	0.3
180.95703	1.3
190.96243	7.0
190.97858	0.4
198.96751	15.2
210.96849	0.5
216.97813	27.0
221.98431	0.5
228.97783	4.2
234.98901	1.3
239.99411	1.1
246.98956	0.4
254.99420	1.5
258.04123	0.4
300.05344	0.3
314.06723	0.3
319.19302	6.3
337.20416	25.2
338.20776	0.5
355.21622	2.2
360.22107	2.1
439.18970	0.5
443.18649	0.5
455.18823	0.3
473.19702	4.1
498.28098	0.3
499.21289	1.6
502.25955	4.8
504.42767	0.3
551.36823	0.3
558.28540	10.5
559.28949	0.5
618.30682	12.3
619.30542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21666	0.3
55.05441	0.5
55.34862	0.3
56.04955	1.6
56.96239	0.5
56.96503	7.6
57.03373	0.4
58.06516	1.1
60.08096	9.8
66.73210	0.3
67.05408	1.6
69.06981	1.4
71.07284	8.2
71.95197	0.4
72.08054	1.7
79.05373	0.4
81.06982	1.3
83.51721	0.3
84.95905	0.4
85.70012	0.3
86.09627	29.8
91.05414	0.4
92.98598	0.3
93.06953	0.5
95.08531	0.8
98.98422	0.6
102.92549	2.4
104.10680	100.0
105.11040	1.2
106.54527	0.3
120.93609	0.5
124.99944	2.5
125.44483	0.3
136.93102	0.6
146.99593	0.6
154.94141	2.9
155.03717	0.5
165.00691	0.4
172.95192	11.3
179.00473	0.3
180.95662	1.9
181.02594	0.4
184.07309	0.5
190.96246	12.6
195.96732	0.4
198.96756	23.0
208.97263	0.5
210.96773	1.9
216.97820	44.2
221.98309	1.3
228.97801	6.5
234.98956	1.9
239.99400	1.5
240.10007	1.5
246.98990	1.3
254.99426	2.6
257.10553	0.5
273.00336	0.4
300.05225	2.0
302.55374	0.3
314.06522	0.5
319.19324	8.8
319.22726	0.5
334.67136	0.3
335.18668	0.4
337.20413	33.1
338.20761	0.7
339.28729	0.5
347.60580	0.4
355.21252	2.7
360.22147	1.7
439.19891	0.6
443.18674	0.6
455.18579	0.5
457.20273	0.4
473.19650	6.7
499.21487	2.7
502.25931	6.1
503.26215	0.5
506.73740	1.3
558.28510	13.0
559.28564	0.5
618.30670	17.3
619.30597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16558	0.1
53.00254	0.1
54.81679	0.2
55.19158	0.1
58.02891	0.3
61.32775	0.1
64.90646	0.1
66.04629	0.2
67.05427	0.9
69.06995	1.4
79.05405	0.8
81.06966	0.9
84.08022	0.1
91.05377	0.2
93.06976	0.6
94.04115	2.3
95.08548	0.3
97.06491	0.2
100.07570	0.2
105.06980	0.2
107.08529	0.7
109.10114	0.8
114.09100	0.2
122.03598	6.1
133.10091	0.8
135.11673	1.1
137.05954	100.0
137.43347	0.2
138.06296	3.5
139.06487	0.2
143.06773	0.3
153.12730	0.8
161.07863	0.3
170.15352	0.9
182.15376	2.1
205.32413	0.2
226.11006	0.3
232.12167	0.6
244.12180	0.8
250.13249	0.3
265.00635	0.1
283.01834	0.6
299.63077	0.1
306.20575	5.9
312.21442	1.7
313.21762	0.9
319.17856	0.3
319.68088	0.2
335.42136	0.1
336.18658	0.2
346.18945	0.2
347.18811	0.2
348.18106	0.2
456.29309	0.1
618.26172	0.2
619.37006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26451	0.8
55.05445	1.0
62.72504	0.7
66.54893	0.8
70.06502	2.2
72.08073	15.8
79.05407	5.1
81.03329	4.7
85.02835	1.4
86.09657	1.2
86.96620	0.9
89.10706	5.4
91.05398	9.7
95.04889	0.9
98.05933	1.2
99.35487	1.0
107.04893	9.9
117.03305	4.5
119.04890	25.7
119.05740	1.1
123.04369	1.2
124.05183	1.9
124.08972	0.9
125.05904	1.1
131.04846	1.3
137.05928	2.3
145.02850	8.1
146.05986	10.7
147.04382	100.0
148.04681	1.3
149.06047	1.4
152.04605	1.1
160.05141	1.8
162.05453	8.1
167.07018	16.1
174.94989	1.0
175.07475	4.9
177.05376	12.0
193.06947	1.2
197.16232	0.9
201.05412	1.1
207.06424	1.1
210.49167	0.9
218.11682	9.0
231.06502	12.0
235.14362	21.2
236.14685	1.1
263.04117	1.1
265.15369	1.2
277.08301	1.1
282.02539	1.3
323.09052	1.9
375.78348	1.1
473.22598	4.7
538.62177	1.3
539.12079	1.2
557.95166	1.1
615.32538	1.0
619.25842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41022	0.5
55.05453	0.6
70.06522	0.6
72.08072	11.8
72.75519	0.5
79.00542	0.5
81.06963	1.0
89.03822	2.6
89.10712	5.2
91.05409	2.1
94.04105	2.2
98.05944	0.8
107.04868	0.9
109.06472	4.1
115.05386	0.6
115.08642	1.0
117.03327	14.5
122.03632	4.8
135.04379	0.9
137.05954	52.4
138.06284	1.1
145.02823	55.7
146.03185	1.0
146.06056	1.8
147.04237	0.6
149.05956	4.0
160.05176	0.8
161.05911	1.2
162.05310	0.7
175.07529	3.5
177.05437	100.0
178.05742	2.8
186.05461	0.8
188.04585	0.9
216.04179	0.6
219.07973	0.5
231.06467	6.6
234.06964	0.6
248.12750	5.9
259.79111	0.6
262.06143	0.7
265.15399	38.3
266.15732	0.9
277.08493	1.2
282.02771	0.7
309.11459	0.7
337.10727	1.0
355.11746	4.4
443.21640	1.1
619.26392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77715	0.7
55.01806	1.3
55.05439	4.4
57.03371	0.9
58.99524	1.2
62.13268	0.7
62.86708	0.7
67.05420	6.8
67.12516	0.7
69.06979	1.3
70.06493	1.8
70.94289	0.8
72.08055	2.1
76.02130	8.8
79.05410	7.0
81.03322	3.8
81.06952	5.3
83.04897	1.4
83.06062	0.9
83.08498	1.1
84.04423	4.9
84.08076	1.0
89.03825	1.0
91.05393	9.9
92.10869	1.2
93.06968	2.1
95.04880	11.1
95.08517	3.6
105.06942	3.5
107.04895	9.4
107.08542	1.1
109.02808	1.1
109.10091	5.1
116.01650	1.7
117.06961	1.3
118.04045	1.0
119.04852	8.5
119.08528	1.6
121.10085	1.1
123.04366	6.9
124.05144	1.5
128.06194	1.4
129.06921	1.5
130.04144	1.0
130.05005	1.7
131.04865	4.7
132.05641	2.2
137.05942	1.6
139.11122	3.8
140.04684	8.4
140.11511	1.1
142.03149	1.2
143.04884	1.8
144.00970	1.1
145.02791	1.8
145.06401	4.1
146.05974	4.6
147.04367	22.7
147.11584	1.0
149.09515	1.1
151.11209	3.3
152.04659	1.2
153.05443	2.0
155.06990	1.9
158.03641	6.5
158.04735	0.8
160.05176	1.0
162.02139	3.3
162.05441	2.1
165.06815	1.1
167.06993	59.3
173.05917	14.4
173.11719	4.6
175.03848	1.0
177.03207	1.3
177.05394	3.5
179.04828	4.4
179.08575	1.2
181.04890	1.4
184.05127	1.0
185.05928	1.1
186.03050	6.0
189.06926	1.9
190.07762	4.1
191.06956	4.8
191.08507	4.0
192.07773	3.4
198.02896	1.5
201.05418	100.0
202.05742	5.3
202.07512	1.0
203.07025	1.5
205.06410	4.2
206.07137	1.0
207.08098	1.8
208.08746	1.1
211.13351	1.2
213.05423	31.5
215.08771	1.0
216.04102	1.9
217.06322	1.5
218.07242	7.1
218.11765	1.3
219.07909	6.2
220.05118	1.8
221.05992	6.6
229.06482	1.7
231.06445	34.1
232.05000	1.5
233.05853	4.0
234.06657	4.1
235.07448	11.8
235.14352	2.1
236.08203	5.7
237.09044	1.3
244.05122	0.9
246.06638	9.2
247.07452	14.3
248.04655	1.2
248.08197	3.9
249.05380	10.7
249.09154	1.2
250.06108	4.4
251.06927	2.0
257.05859	2.0
258.06509	1.0
260.04712	6.6
261.05371	6.0
261.08960	1.7
261.12280	1.9
262.06174	4.1
263.06958	14.4
264.07748	14.7
265.04822	1.1
265.08441	4.8
267.10071	1.3
273.05377	1.3
274.06134	9.8
275.06927	16.7
276.07635	5.5
277.04868	12.0
277.08356	1.8
278.05344	1.2
279.06491	3.1
279.10162	3.8
280.07288	1.0
281.08060	1.4
288.03943	7.3
289.04868	5.9
289.08392	2.0
291.06424	7.9
292.07254	21.0
293.07773	5.0
293.20932	5.5
294.21268	1.3
295.09515	4.3
302.05716	6.5
303.02945	1.3
303.06436	37.4
304.07104	5.7
305.04300	14.4
305.07794	3.9
306.08649	1.6
307.09628	13.4
308.09424	7.7
317.07919	3.6
319.05875	1.4
320.03207	1.5
320.06750	31.4
321.07193	5.0
322.08221	1.4
323.09058	3.6
324.09686	1.4
335.04984	2.1
335.09061	62.9
336.09460	2.1
337.10571	2.0
339.11624	1.0
349.10458	1.5
352.09235	3.2
355.11642	14.6
356.12537	1.1
367.11655	84.0
368.11859	5.7
385.12744	18.7
400.62418	1.0
443.21539	1.6
447.94080	1.1
473.22415	4.7
589.24811	5.8
619.25555	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	1.0
61.58718	1.2
67.05428	2.2
69.06967	5.5
72.08058	2.4
75.25324	1.1
76.02127	6.4
79.05418	4.5
81.03333	1.3
81.06950	1.3
84.04424	1.5
89.03825	5.9
91.05400	8.4
93.06954	1.7
95.04941	4.0
105.07015	2.5
109.06427	3.0
115.05400	1.3
117.03326	23.4
119.04881	7.1
120.58911	1.0
122.03600	7.1
130.04080	2.2
130.06569	1.7
134.03568	2.0
137.05951	100.0
138.06293	2.1
140.37639	1.2
145.01709	2.3
145.02829	65.5
146.03191	1.3
146.05991	1.5
147.04390	16.2
149.05986	9.0
151.03854	5.0
158.03590	1.7
161.05952	7.9
162.06662	4.1
173.05931	11.8
177.05435	83.0
178.05774	2.5
178.07690	2.6
179.04752	1.4
186.03137	5.1
189.06972	5.3
191.08533	5.6
195.08055	1.4
197.55122	1.3
201.05429	70.1
202.05788	2.4
205.06384	8.9
206.07181	10.8
207.08035	1.6
213.05414	10.8
217.06432	7.1
218.07246	4.5
219.07983	2.9
220.05159	1.6
222.06624	2.2
223.07628	1.6
231.06425	7.1
233.05963	9.1
234.06734	31.6
235.07454	11.8
237.09074	1.5
244.04988	1.9
245.05875	9.2
246.06625	4.7
247.07489	4.5
248.12599	1.7
249.05312	2.2
249.09096	13.8
250.06242	5.8
251.06906	6.4
251.10608	1.6
261.05475	5.6
261.09323	1.6
262.06183	37.6
263.06796	7.9
264.07590	2.6
265.08582	9.8
265.15469	9.2
266.09161	2.1
273.05417	10.1
274.06113	2.9
276.07703	5.4
277.08539	36.1
278.05762	1.7
278.09048	4.2
279.06451	7.6
279.09573	2.0
280.07285	1.4
281.11536	2.0
287.06873	2.1
289.04907	2.8
290.05670	53.0
291.06146	6.7
291.10025	1.9
291.13303	9.8
292.07150	5.4
293.07874	6.6
293.21017	6.9
294.08765	8.8
294.21188	2.6
295.09506	4.6
304.07288	2.7
305.07993	71.4
306.08395	8.0
307.06204	2.7
307.09500	8.2
308.09201	2.1
309.11105	6.1
319.09497	5.8
322.08276	7.1
325.10574	17.2
337.10635	90.5
338.10788	6.1
355.11703	20.2
367.11612	5.2
413.20599	1.5
443.21683	4.9
589.25092	2.2
619.25256	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31804	0.8
53.86864	0.8
53.98924	0.8
55.01819	1.7
55.05435	1.4
58.99505	1.3
59.32010	0.8
60.22501	0.8
67.05432	1.6
69.06990	8.0
71.40623	0.9
72.08066	2.4
73.10097	1.0
76.02132	5.1
79.05402	4.5
81.06965	3.8
83.04869	0.9
84.04420	1.5
88.49376	0.8
89.03840	6.5
90.18438	0.9
91.05380	7.1
92.10196	2.8
93.06970	1.9
94.04080	1.0
95.04903	5.1
96.30406	1.0
105.06946	2.4
107.04903	1.6
109.06463	2.0
114.55803	0.9
115.08658	1.3
117.03322	24.2
117.06937	2.3
119.04887	5.5
121.06477	1.3
122.03590	7.8
134.03624	1.9
135.04396	1.7
137.05954	82.0
137.31303	1.1
145.02826	78.8
145.06462	2.0
146.03487	1.6
147.04388	12.0
149.05927	9.0
151.03923	7.3
158.03613	2.4
161.05936	9.8
162.02136	2.5
162.06781	2.4
168.47864	1.1
173.06024	8.2
175.03789	1.9
177.05428	100.0
178.05748	1.7
178.07721	1.6
181.30382	1.2
182.08287	1.0
186.03131	5.1
189.06973	5.8
190.07785	1.6
191.08508	2.5
194.43134	1.0
201.05424	69.7
202.05829	1.9
205.06497	10.1
206.07288	8.4
213.05472	6.4
217.06461	5.5
218.07234	4.3
219.08003	5.8
220.05090	1.3
221.09592	1.4
222.06717	1.9
231.06467	5.8
231.26833	1.3
233.05940	9.0
234.06717	32.4
235.07455	12.0
237.09053	2.2
238.09561	1.2
244.05038	2.3
245.05983	7.6
246.06609	2.2
247.07474	4.6
248.08240	1.8
249.05295	1.3
249.09042	13.1
250.06213	5.2
251.06978	5.7
251.10812	1.6
259.07480	2.4
261.05463	5.1
261.08942	1.4
262.06201	37.6
263.06876	11.2
264.07703	2.3
265.08594	9.1
265.15320	10.7
266.09177	4.4
272.04623	1.9
273.05328	10.6
274.06088	4.0
276.07751	4.0
277.05667	1.4
277.08551	38.9
278.05753	2.0
278.08957	2.2
279.06384	6.1
279.09885	1.7
280.07126	1.8
281.11786	2.4
287.06912	5.4
289.04938	2.4
290.05688	58.3
291.06186	1.1
291.10098	1.9
291.13077	9.6
292.07205	7.7
293.08124	9.0
293.20969	7.2
294.08786	11.4
294.21396	2.2
295.09460	5.1
304.07178	2.2
305.08011	77.1
306.08429	4.4
307.06067	3.4
307.09589	9.6
308.09241	4.0
309.11404	8.0
311.12698	1.4
319.09564	7.2
322.08328	4.8
325.10672	16.8
326.10956	1.3
337.10626	97.3
338.10843	4.8
355.11771	24.4
356.12119	2.0
367.11798	4.2
425.20984	1.5
443.21439	5.2
589.25427	4.2
633.51801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	0.9
55.05451	25.8
57.07006	3.5
58.99520	1.4
67.05422	16.5
68.05762	0.9
69.03349	1.1
69.06992	15.4
70.06489	0.9
71.08544	1.8
71.37827	0.7
75.18440	0.9
75.58543	0.6
76.02135	15.7
77.02470	0.9
78.01714	0.9
79.05417	6.5
81.03353	5.7
81.06973	23.6
81.69354	0.9
82.06509	6.4
83.04893	4.2
83.08540	18.6
84.04423	4.5
84.08072	1.7
85.06462	1.7
89.32643	0.8
90.67619	0.8
91.05403	4.8
92.10941	1.4
93.06969	9.9
95.04881	5.0
95.08535	18.3
97.02822	1.0
97.06483	1.8
97.10085	3.2
98.09645	0.9
100.07551	6.4
100.11187	71.4
105.06983	5.9
107.08533	5.9
109.02832	4.3
109.06479	3.6
109.10096	10.4
110.05980	3.5
110.10484	0.8
111.04383	10.1
112.07566	2.0
116.01656	3.1
117.03396	1.2
117.06918	1.1
117.13853	0.9
119.08521	6.7
121.10108	8.1
123.08077	1.2
123.11652	4.5
126.09090	1.2
126.35450	0.9
127.08636	1.4
128.07027	5.7
130.04955	1.5
131.08565	1.2
133.10120	4.2
135.11690	3.6
137.09532	1.7
137.13228	0.9
139.08627	3.2
142.03186	0.9
144.01176	0.8
145.01579	1.0
145.02858	3.8
147.04398	1.7
147.11664	6.1
149.13261	6.0
149.26401	0.8
151.11166	13.0
152.11540	5.0
161.13251	4.4
162.02214	4.3
165.12749	1.7
166.15912	1.2
175.14864	1.1
177.05449	4.3
177.12823	1.0
179.04843	4.1
179.14284	3.4
179.95694	1.0
180.05255	1.1
182.15373	21.9
192.13766	0.9
209.16449	16.8
210.14818	13.0
210.16425	1.0
226.19124	4.4
227.17484	0.9
231.21094	3.8
233.05855	1.2
248.23643	0.8
249.22124	5.4
266.24716	31.6
277.21512	1.0
283.27390	3.7
293.20990	5.9
294.21393	8.4
295.22510	1.1
308.09024	4.7
309.09332	3.5
336.22488	1.1
348.28854	3.0
375.30060	10.3
376.28555	4.0
392.32806	5.1
472.25620	1.2
474.40500	1.0
492.41611	7.0
531.06097	0.9
549.74677	1.0
601.46564	6.9
619.47797	100.0
620.47839	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	619.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.4
54.81397	0.4
55.05449	21.9
55.05714	0.8
57.07005	2.7
67.05423	10.8
69.06982	10.9
69.07340	0.6
70.06510	1.6
71.04887	0.4
77.40618	0.4
79.05418	4.1
81.06970	16.7
82.06495	3.8
83.04892	4.1
83.08535	18.6
84.08067	2.1
85.06455	2.0
91.05400	2.2
93.06960	6.0
95.04873	0.4
95.08525	14.9
96.08052	0.5
97.06483	0.6
97.10097	1.6
98.09620	1.8
100.07530	5.6
100.11181	63.5
105.06956	3.4
107.08549	5.2
109.06442	4.0
109.10099	7.5
110.06006	2.7
111.04386	7.2
111.08034	0.5
112.07564	2.1
115.81893	0.5
118.30714	0.5
119.08514	3.9
121.10107	5.3
123.08023	0.6
123.11653	2.3
126.09142	0.9
127.08664	1.8
128.07031	4.6
131.08479	0.4
133.10103	2.9
135.11674	2.4
137.13240	0.7
139.08633	3.2
140.07085	0.8
142.13397	0.4
145.02817	2.2
147.11638	4.5
149.13243	4.9
161.13214	4.0
166.15822	0.6
170.91315	0.4
175.14850	1.0
177.05461	1.6
179.14343	2.6
182.13756	0.7
182.15355	20.5
183.15706	0.5
185.45012	0.4
189.16376	0.8
192.13805	0.6
209.16446	17.6
210.14853	13.8
210.16663	1.0
226.19095	4.5
227.17517	0.6
231.21065	4.6
238.25311	1.0
248.23741	0.7
249.22107	4.5
266.24731	29.7
267.25180	0.6
283.27423	2.2
305.22064	0.7
336.22864	1.7
340.26404	0.5
348.28784	3.2
357.28793	0.8
358.27417	0.7
375.29944	9.3
376.28290	3.8
392.32651	5.9
393.31296	0.6
474.40292	0.6
492.41641	4.5
566.51263	0.5
601.46729	9.7
619.47778	100.0
620.48163	8.0
640.10675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	1.1
53.03886	1.6
53.07101	1.1
53.41602	1.0
53.95774	0.9
55.01808	20.7
55.05456	18.4
57.03358	2.1
57.06997	2.6
58.99517	25.8
59.04938	1.7
67.05424	42.4
68.05760	1.4
69.03344	2.2
69.06985	29.0
71.04897	1.8
71.08523	2.9
73.01045	1.6
74.00559	4.6
76.02140	100.0
76.03909	6.1
79.05398	16.4
80.04911	1.8
80.17451	1.3
81.03329	7.2
81.06965	20.4
83.04908	7.4
83.06020	5.4
83.08527	10.4
84.04427	18.7
85.01058	1.2
85.02769	1.2
85.03960	1.6
85.06438	1.4
85.10088	1.9
86.98975	14.0
87.02605	13.4
88.02132	5.2
91.05406	9.8
92.10841	1.8
93.06978	20.1
95.04875	10.0
95.08527	20.2
97.06453	4.9
97.10080	12.7
99.02622	1.6
99.05527	2.3
99.07986	1.4
105.06960	9.1
107.08524	13.5
109.06425	3.0
109.10093	21.0
109.86832	1.2
111.08035	1.5
113.04202	2.1
114.03688	1.7
116.01624	59.6
117.03294	1.3
119.08511	7.8
121.10081	6.1
123.07996	4.7
125.09577	7.8
126.03703	3.0
126.39754	1.4
129.06427	1.6
129.07394	8.7
129.08128	1.6
130.04971	9.9
131.08513	1.5
133.10104	2.6
135.11647	5.5
137.09570	5.0
139.11160	21.1
142.03244	9.6
144.01111	26.5
145.06052	2.1
145.10101	1.8
147.11684	5.1
149.09521	1.4
149.13264	2.6
151.11150	7.0
153.12782	1.8
162.02168	54.6
162.08617	1.2
165.12704	5.0
170.02693	2.9
171.11736	1.4
172.11632	1.3
173.11783	9.3
179.04811	54.5
179.14172	1.5
187.05283	5.8
189.11253	1.7
193.12105	1.4
199.11432	1.9
207.36534	1.3
211.13278	4.8
224.82608	1.3
233.05878	9.2
240.10127	1.3
245.05916	1.5
259.20557	1.3
277.21539	17.1
295.22638	28.5
308.09091	16.3
313.23669	2.2
334.21680	1.5
335.20370	2.4
352.22958	7.0
353.21292	9.3
370.23956	1.7
388.25040	6.8
455.25327	6.6
473.26688	52.6
474.26910	2.8
491.27560	8.4
545.28601	12.7
620.31940	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	620.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35145	1.2
54.84271	1.1
55.01812	17.2
55.05446	23.8
56.04967	1.7
57.03358	1.3
57.07014	2.2
58.99519	34.7
59.04935	1.3
61.86373	0.9
67.05427	40.3
69.03333	2.3
69.06982	32.7
70.06518	5.8
71.04921	1.7
71.08556	2.9
73.01087	1.7
74.00565	2.2
76.02140	100.0
76.03905	2.8
76.19643	1.2
76.56834	1.2
79.05404	16.5
80.04936	2.6
81.03336	7.3
81.06969	25.4
83.04900	2.6
83.06010	5.9
83.08553	9.7
84.04432	22.1
85.10088	2.0
86.98980	13.3
87.02618	12.5
88.02145	7.7
91.05411	14.1
93.06966	25.0
93.24485	1.3
95.04873	9.0
95.08532	21.8
97.06477	2.5
97.10069	9.4
99.02647	3.9
99.05509	1.5
105.06973	5.9
107.08536	13.6
109.06448	1.3
109.10097	21.7
111.02626	2.7
112.02177	1.7
114.03756	1.3
116.01630	53.9
116.02429	2.3
119.08533	9.1
121.10079	9.6
123.08028	2.5
123.11703	1.6
124.36674	1.1
125.09602	7.4
126.03721	5.7
127.60972	1.1
129.06456	2.1
129.07245	7.0
130.04973	6.5
131.08533	1.7
133.10103	5.6
135.11694	2.2
137.09621	2.7
139.11153	22.6
139.86906	1.3
140.91502	1.4
142.03229	13.2
143.08531	1.9
144.01123	23.6
145.02806	1.6
145.06021	2.1
145.10033	1.5
147.11653	5.5
149.09592	1.7
149.13268	2.0
151.11154	6.5
152.90271	1.5
157.10143	1.3
162.02168	57.0
165.12698	5.7
170.02684	4.9
172.11568	2.3
173.11734	5.9
173.13161	1.7
175.11108	1.3
175.14738	1.4
177.05319	1.4
179.04808	62.0
187.05289	3.0
189.11165	2.0
197.69974	1.2
199.11478	2.6
215.04854	1.8
231.20967	1.3
233.05859	11.2
245.05942	1.9
249.22290	1.2
277.21548	17.8
278.21869	1.7
293.21033	1.7
295.22565	29.5
308.09039	14.4
317.76880	1.3
335.20389	5.4
352.22998	7.9
353.21368	14.4
363.18118	1.3
370.24081	1.8
388.25000	7.4
390.19443	1.4
400.28345	1.3
431.20956	1.3
455.25650	7.3
473.26672	33.5
491.27853	21.7
545.28625	9.3
602.30408	1.7
620.31873	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	620.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77793	0.6
51.34761	0.5
51.47967	0.6
53.03887	1.4
54.64321	0.7
55.01815	3.2
55.05446	12.5
56.06536	0.5
57.03368	1.1
57.07001	2.6
58.99525	5.3
59.04932	0.6
59.41819	0.6
67.05428	23.1
69.03350	1.5
69.06988	17.4
71.04899	3.3
71.08546	16.8
72.08060	0.8
74.00563	1.4
76.02141	25.2
76.03905	2.7
76.20851	0.7
78.89566	0.5
79.05412	16.0
80.05805	0.7
81.03334	10.0
81.06969	19.1
82.03635	0.7
83.04903	7.3
83.06016	1.0
83.08544	3.7
84.04420	7.6
85.03928	0.9
85.06477	1.3
86.98997	2.5
91.05402	9.6
92.46201	0.7
93.06974	22.4
95.04900	13.9
95.08530	15.7
96.08869	0.7
97.06460	3.6
97.10090	4.3
99.08036	9.3
105.06964	4.6
107.04890	0.6
107.08540	7.4
109.06484	2.6
109.10108	11.2
111.08012	1.1
116.01624	9.4
117.03342	3.8
117.06958	1.0
119.08531	5.5
121.10106	9.9
123.08004	1.3
123.11709	0.8
130.04977	4.2
131.08527	1.5
133.10068	3.9
135.11678	4.3
137.09575	7.6
139.11186	4.0
142.03215	2.8
143.08571	0.8
144.01131	4.2
145.02852	6.7
145.10147	0.7
147.04448	0.9
147.11679	2.5
149.09590	0.8
149.13255	1.5
151.11162	16.5
157.10153	0.8
161.13246	1.6
162.02187	10.2
163.11153	2.5
163.17992	0.7
165.12689	1.2
167.06665	0.7
175.14740	0.7
177.03246	1.5
177.05415	6.3
179.04797	14.7
179.14297	3.9
180.07251	0.6
185.03726	0.8
187.05411	1.0
203.12672	1.1
211.13261	1.0
215.04883	1.1
221.15332	3.4
231.04318	1.2
233.05884	4.5
249.22086	0.8
259.20526	0.9
276.53653	0.7
277.18924	0.9
277.21555	37.2
295.22610	100.0
296.22952	3.7
308.09079	28.6
314.07678	1.3
384.52402	0.7
445.19492	1.4
506.08322	0.8
566.62195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00225	2.4
53.03876	3.5
55.01818	21.9
55.05451	38.0
56.04965	13.1
57.07008	4.5
58.99519	14.6
62.57674	1.7
64.33312	1.7
65.03861	2.6
67.05436	42.1
68.04947	2.0
69.06993	16.3
70.02879	34.6
70.06512	3.2
71.04912	2.8
71.08558	16.9
73.01037	3.0
74.00577	14.2
74.02342	2.5
76.01741	2.9
76.02142	58.8
76.03924	28.8
79.05409	52.8
80.04939	3.0
81.03329	3.7
81.06980	55.9
82.06502	4.8
82.17200	1.6
82.94440	1.9
83.04914	8.2
83.06025	8.4
83.08540	24.7
84.03952	3.6
84.04433	71.3
85.01055	13.2
85.02818	2.6
85.03955	21.3
85.06474	2.6
86.00565	4.7
86.98969	4.4
87.02591	3.2
88.03906	3.2
91.05409	52.5
92.01635	11.2
93.06973	57.6
94.06477	8.9
95.04904	24.6
95.08535	35.1
96.08041	3.3
97.01055	88.1
97.06467	6.8
97.10092	10.4
99.02629	19.0
99.05524	14.6
99.08017	9.0
100.02125	4.2
100.04828	2.3
102.05435	1.8
105.06976	33.4
106.06499	3.3
107.04872	2.6
107.08548	25.4
108.08084	2.8
109.06463	3.7
109.10116	12.4
110.06028	2.1
110.62166	1.8
111.02621	44.9
111.08012	4.6
112.02143	2.9
112.03909	12.9
113.03413	9.4
113.04183	7.4
113.92583	1.8
114.03679	3.4
116.01617	25.0
116.03377	3.8
117.03342	2.3
117.07024	3.0
119.08554	19.3
120.08059	2.0
121.10078	8.6
122.09631	1.9
123.02599	20.0
125.04210	15.5
125.09605	2.4
126.03751	2.7
129.06616	12.9
130.04977	71.8
131.04495	21.9
131.08525	21.9
133.10085	30.0
135.02650	8.7
135.11649	12.8
137.04196	17.5
137.05901	4.4
139.05727	3.6
142.03198	12.4
143.08554	3.2
144.01132	8.3
145.02879	13.8
145.06068	100.0
145.10104	10.0
146.05984	2.6
147.11674	20.9
149.04137	10.0
149.05923	3.7
149.09546	4.1
149.13248	4.1
150.12758	3.1
151.05769	8.2
151.11195	32.5
153.06522	4.5
154.53067	1.9
155.08122	2.6
157.10098	16.5
159.11676	9.8
159.82961	1.8
160.00560	3.0
161.13243	7.6
162.02158	26.7
163.02069	3.0
163.05791	4.4
163.11142	14.2
164.14345	2.5
165.07303	2.6
169.06052	3.1
170.09981	3.3
173.13222	3.0
175.02097	2.1
175.11200	4.2
177.03264	63.9
177.05452	15.8
177.12717	17.7
179.04819	22.9
179.08862	4.5
181.06049	8.0
181.10339	7.9
185.03789	10.5
191.08926	14.2
193.10463	4.0
193.12093	3.5
195.13754	4.0
206.15338	3.4
209.09943	15.8
210.48926	2.1
216.05356	2.0
217.10484	4.6
224.16452	3.9
227.10956	4.2
231.04330	9.8
233.05907	4.1
236.16541	2.3
239.10861	4.4
252.14107	13.1
259.20551	3.0
270.14908	19.9
274.10211	13.9
275.20270	2.2
277.21533	18.5
280.13565	3.9
291.17712	3.5
293.21246	2.3
294.21445	5.7
294.24271	14.8
306.07501	9.0
308.09167	22.3
309.18832	10.0
318.15131	3.3
335.20236	18.4
345.18649	3.9
352.22873	19.6
356.15143	4.0
373.17892	59.8
374.18271	2.0
417.37662	2.1
455.25677	87.1
456.25751	7.2
468.86984	2.0
473.26422	11.1
502.22134	41.9
509.26779	3.0
556.87469	2.3
557.04755	2.0
584.30017	20.9
602.30627	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	620.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81129	0.4
55.05442	0.9
56.04967	1.8
56.96505	5.6
57.03362	0.5
58.06532	0.9
60.08093	9.4
67.05409	0.5
69.06981	0.7
71.07291	8.1
72.08041	0.8
83.08533	0.6
86.09627	29.2
94.49854	0.4
95.08511	0.6
102.92535	2.3
104.10679	100.0
104.64941	0.5
105.10973	0.5
107.38531	0.5
118.92105	0.4
124.99959	2.9
154.94154	4.0
162.94608	0.6
172.95192	11.5
180.95654	3.8
181.02689	0.6
184.07294	0.5
190.96252	14.0
198.96758	35.1
210.96843	0.8
216.97816	56.9
217.98256	0.5
218.98563	0.5
221.98349	2.5
228.97823	7.1
234.98926	2.3
239.99379	2.2
240.10007	2.2
246.98955	0.6
254.99379	2.9
257.31546	0.6
258.98840	0.5
321.20746	3.8
339.21960	18.7
340.22897	0.5
357.23157	2.9
362.23654	0.7
418.62152	0.6
445.20432	0.5
457.20328	0.5
463.21210	0.5
475.21216	5.3
501.22809	3.0
504.27396	6.4
560.30200	12.2
620.32239	21.8
621.32520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04964	0.5
56.96491	2.6
58.06517	0.5
60.08095	9.0
63.41406	0.3
71.07292	4.6
72.08068	1.5
86.09626	16.4
89.96196	0.3
92.10303	0.5
102.92528	2.6
104.10677	100.0
105.11050	0.6
106.92399	0.4
136.93094	0.4
141.89755	0.4
152.28496	0.3
154.94150	2.0
172.95192	8.9
180.95723	1.9
190.96239	8.2
198.96756	19.9
201.83569	0.3
210.96759	1.5
216.97816	34.1
221.98360	0.8
228.97879	3.1
234.98944	0.8
239.99463	0.6
246.98904	0.5
254.99352	1.8
258.04156	0.5
273.00293	1.2
300.05179	0.6
321.20990	2.6
339.17789	0.5
339.21991	13.9
357.23099	2.6
362.23630	0.5
445.20111	0.8
475.21219	3.0
501.22809	2.1
504.27567	3.6
560.30139	7.2
560.38232	0.6
561.30475	0.5
620.32202	13.0
621.32391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	2.5
55.01822	2.5
55.05188	2.4
55.05450	72.0
56.04969	3.5
57.07010	20.1
58.02890	10.3
58.06530	2.2
67.05424	63.3
69.06986	100.0
70.06509	45.8
71.04916	3.5
71.08536	9.4
73.06495	1.6
78.91715	1.5
79.05401	23.6
81.06973	75.8
82.06485	8.4
83.04893	3.2
83.08533	54.0
84.04433	15.4
84.08073	1.8
85.06472	3.4
86.09644	2.8
91.05389	22.6
93.06964	32.5
94.06528	1.9
95.04874	2.5
95.08530	73.8
96.08044	2.7
97.06449	10.9
97.10101	33.2
99.08022	2.3
105.06973	21.3
107.08533	20.4
109.10104	35.7
111.11672	6.9
111.88660	1.7
117.06990	1.6
119.08523	21.3
121.10083	16.8
123.08025	2.7
123.11652	8.6
125.09573	2.7
126.46754	1.5
131.08516	2.6
133.10095	20.4
135.11668	10.5
139.11128	2.0
145.10094	2.8
147.11673	10.6
149.13258	3.1
150.65155	1.6
151.11165	2.7
151.14880	2.2
152.14330	3.6
153.12746	2.2
161.13226	7.5
162.12761	2.5
163.11177	2.0
163.14876	4.0
165.12764	2.9
166.15913	1.9
168.17430	51.7
169.17865	2.7
175.14746	6.6
180.13806	13.9
184.09723	2.1
198.14873	41.1
199.15222	2.1
245.22641	7.9
263.23575	6.3
340.28369	73.9
341.28644	6.5
358.22839	2.0
360.09622	1.7
448.41757	2.0
470.62769	1.6
508.74054	2.0
620.42871	10.7
620.52252	92.7
621.43030	10.8
621.52600	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	621.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04999	0.7
57.03351	0.5
69.03339	3.1
70.06519	4.2
71.04900	0.8
71.67085	0.5
72.08067	1.1
74.05988	0.6
81.03340	7.1
84.04433	1.0
84.08070	2.5
85.02843	5.7
97.02842	4.4
109.02841	6.4
110.07131	4.3
116.04950	0.8
116.75803	0.7
116.98540	0.6
117.03305	0.9
119.04907	0.7
127.03872	4.4
130.06512	1.0
134.05952	1.0
134.99623	0.5
145.02858	4.4
145.04947	0.7
146.05965	7.0
147.04402	1.1
156.07706	0.7
161.05902	0.7
162.05473	100.0
163.05910	0.9
166.61328	0.6
175.05400	0.6
177.05467	6.0
190.04973	11.6
198.78761	0.6
208.06021	10.1
270.07599	1.0
316.08054	3.2
331.11642	0.6
334.09177	3.7
352.10269	4.7
478.13306	4.8
513.73132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00480	0.7
53.00251	1.1
53.36049	0.6
53.95511	0.6
55.05453	24.9
55.10301	0.8
57.03366	10.7
57.07018	10.8
59.95874	0.7
61.95670	0.7
62.94984	0.6
65.03899	1.1
65.54602	0.9
67.05425	19.4
69.06989	31.4
71.08543	4.3
76.23312	0.9
79.05411	11.9
81.06978	19.7
83.08538	21.3
85.10098	1.7
91.05407	1.6
92.10319	1.5
93.06974	13.3
95.08526	16.0
97.02811	2.0
97.06462	3.5
97.10091	9.8
99.04366	1.3
105.07014	0.9
107.08566	6.6
109.10132	7.1
111.08019	1.1
111.11687	1.7
120.96596	3.4
121.10094	9.4
125.09564	0.8
135.11699	5.5
149.02354	3.3
149.13237	3.2
172.95401	1.0
174.98560	0.9
176.99217	1.0
185.04214	1.0
186.99043	0.9
191.08447	0.9
193.04910	1.0
203.05266	11.0
265.00803	4.9
283.01849	100.0
339.28879	25.7
441.23697	1.8
471.20328	1.0
621.29956	45.8
622.30353	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54933	0.6
52.93036	0.5
53.00243	1.1
53.15743	0.5
55.05447	3.0
55.39382	0.5
57.07013	70.4
64.09685	0.6
64.33330	0.8
67.05419	1.0
71.88766	0.6
71.92813	0.6
79.81023	0.6
83.04439	0.9
83.04900	15.3
91.05417	9.3
92.10259	1.9
93.06927	0.6
95.04886	1.2
98.98409	0.8
105.06992	5.7
109.06544	0.8
115.05402	1.1
117.06950	2.8
119.08546	4.4
121.10118	1.1
126.18822	0.7
128.06165	6.4
129.06949	3.0
131.04926	0.6
131.08519	5.3
132.09319	1.6
133.10172	0.8
141.06961	16.8
142.07768	3.9
143.08549	8.1
144.05702	0.9
144.89407	0.6
145.06506	1.1
145.10141	1.3
147.02040	20.3
147.03137	1.0
147.07990	2.3
147.11673	25.6
151.01472	0.9
155.05974	0.8
159.02095	0.9
159.08025	16.8
161.09550	1.5
165.03114	3.4
169.07626	1.5
175.01567	11.3
175.02986	1.8
182.10901	0.6
183.02150	2.4
185.56512	0.6
187.03003	5.8
187.11101	1.1
189.25327	0.6
193.04160	1.4
195.05717	1.2
197.13229	1.0
205.04099	6.5
211.05197	4.2
213.06818	0.8
213.16379	3.2
215.14275	12.2
220.97670	0.8
223.05151	100.0
224.05583	1.0
227.04646	0.9
227.08389	0.8
230.74174	0.8
239.04652	1.3
239.08151	0.7
241.06206	13.2
241.19527	2.5
243.17413	3.7
244.99742	4.5
264.07672	0.9
267.11597	0.7
271.20483	14.7
279.11365	25.6
291.59109	0.6
297.12466	5.2
321.02835	3.6
335.17664	14.1
377.08871	0.7
397.05933	6.8
433.15314	2.5
453.12112	12.8
460.38013	0.6
509.18451	50.3
510.18765	0.9
550.20996	0.9
562.94647	0.7
565.24658	15.6
621.31012	28.0
622.31152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57780	0.6
52.69477	0.5
54.81791	0.8
64.92143	0.5
69.03336	2.8
70.06503	0.9
72.08075	4.6
79.05390	2.3
81.03327	2.7
83.04910	0.7
85.02814	3.0
89.03839	6.7
89.10725	0.9
91.05420	4.3
93.06953	2.7
97.02816	1.5
98.97425	0.6
103.05376	1.0
104.69559	0.5
105.06970	0.8
106.02839	1.1
107.04911	1.1
107.08545	1.3
109.02840	1.3
115.45304	0.6
117.03329	28.6
117.06986	0.7
119.04921	1.2
124.03903	2.8
130.06430	0.9
131.08514	0.6
133.10112	1.0
134.03558	1.0
135.04407	2.7
135.11644	2.8
141.62437	0.6
145.02824	89.0
146.03226	2.1
146.05965	3.7
147.04404	1.5
149.05949	10.4
149.13216	1.0
162.05424	4.6
163.03838	1.0
177.05434	100.0
177.12741	3.6
178.05783	2.8
178.85518	0.6
207.06721	0.8
248.12720	3.3
265.15372	12.4
266.03140	1.0
282.02689	0.8
603.32770	4.9
621.33826	14.9
622.33209	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.6292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	0.4
53.03881	0.5
54.81461	0.5
55.05449	5.3
57.07016	8.5
58.96252	0.4
65.65494	0.4
67.05437	2.7
67.94169	0.5
69.06987	8.7
71.08550	3.4
72.04434	96.4
73.04753	1.1
74.05997	0.8
79.05397	1.0
81.06982	3.5
83.04913	1.0
83.08543	5.0
85.10114	1.7
86.09643	0.6
88.07573	4.8
91.05427	0.8
92.10851	1.0
93.06996	2.7
94.22873	0.4
95.08531	3.2
97.06471	0.6
97.10108	2.9
99.07991	0.5
100.07552	3.2
102.09106	2.5
105.06968	0.8
107.08561	2.0
109.10109	0.9
111.11671	1.1
114.09126	9.6
115.09427	0.7
116.10684	0.9
121.10100	1.0
124.99919	0.5
128.10664	6.2
133.10159	0.5
135.08046	0.5
142.12224	3.9
156.13826	2.9
170.15384	2.0
184.07274	0.6
184.16896	0.6
198.18529	0.5
226.21634	0.7
256.26288	8.9
275.19815	0.8
277.21564	0.9
293.21094	0.7
295.22623	0.8
310.30991	100.0
311.31329	11.6
312.32544	27.4
313.32782	1.0
351.06024	0.5
537.74213	0.5
621.41339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43206	0.9
52.89255	1.0
53.00224	1.3
53.03876	5.9
54.35713	1.0
55.01809	10.2
55.05232	1.0
55.05455	16.6
57.03372	7.9
57.06997	4.7
61.02843	1.8
67.05424	71.8
69.03011	1.1
69.03345	21.0
69.06978	21.6
71.04907	11.7
71.08524	1.4
73.02824	5.0
79.05405	22.1
81.03340	11.5
81.06973	69.5
83.04884	2.2
83.08535	17.0
85.02824	20.3
85.06448	1.3
91.01337	1.1
91.05407	12.7
93.06971	21.8
95.04847	1.3
95.08533	55.1
97.02821	100.0
97.06432	2.3
97.10095	5.5
99.04386	34.1
99.07994	1.2
105.06970	13.4
107.08535	10.1
109.02828	14.1
109.10098	21.5
111.08024	2.1
111.11607	1.2
117.06903	1.1
119.08518	7.4
121.10091	12.9
123.11630	7.4
125.09612	1.1
127.03863	24.2
131.08578	1.5
133.10092	9.0
135.11667	9.2
137.13228	4.5
145.04977	16.6
147.11658	4.9
149.13194	5.7
151.14783	1.7
160.17345	1.2
161.13216	5.8
163.14796	1.9
175.14801	5.9
190.22261	1.1
198.24915	1.3
245.22552	6.9
262.17023	1.2
263.23636	23.2
279.23254	1.4
303.23264	1.1
309.00058	1.4
357.99268	1.0
371.25696	5.4
383.05005	1.2
389.26633	4.6
407.28027	5.3
425.23566	2.1
425.28870	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	622.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03666	3.0
53.03884	13.7
54.60979	3.2
54.81394	2.6
55.01815	32.6
55.05449	23.2
55.55891	3.0
57.03359	6.3
57.06978	3.8
58.09707	3.1
67.05122	4.8
67.05425	76.6
68.05264	3.0
68.76681	3.4
69.03349	49.6
69.06992	34.0
71.04902	17.8
73.02830	7.1
75.15474	3.3
79.05400	26.2
81.03328	62.8
81.06981	72.5
83.08537	9.1
85.02834	30.8
91.05391	14.6
93.06970	28.3
95.08537	61.0
97.02835	50.8
97.10088	15.0
99.04388	100.0
101.02335	7.1
105.06923	6.5
107.08523	14.9
109.02830	62.9
109.10107	23.0
110.07128	47.8
119.08539	6.4
121.10091	6.9
123.11672	5.7
127.03868	100.0
131.08562	3.7
133.10072	6.3
135.11642	5.9
145.04953	20.3
147.11813	3.8
149.13226	4.1
175.14775	4.1
187.80528	3.7
245.22495	5.7
261.21960	5.9
263.23621	15.6
359.25970	4.4
371.25677	8.0
389.26645	4.4
407.27682	18.5
425.28802	66.1
624.13416	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	622.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	9.5
54.81555	1.6
55.01804	9.3
55.05446	40.6
57.03370	10.6
57.07016	8.6
57.55862	1.4
59.04916	1.7
63.81308	1.6
67.05426	81.1
69.03351	8.3
69.06984	45.8
71.04906	9.2
71.08548	17.7
73.06444	2.4
73.60767	1.8
75.51965	1.6
78.92632	1.6
79.05405	64.8
81.03336	39.6
81.06971	66.6
83.04885	12.9
83.08538	16.2
85.06454	4.1
91.05402	50.9
93.06969	74.9
94.18719	1.7
95.04886	42.7
95.08530	49.4
97.05864	1.9
97.06450	12.2
97.10092	12.4
99.08039	7.7
103.16065	2.2
105.06973	43.1
107.04900	7.7
107.08530	32.6
109.06456	8.5
109.10108	36.2
116.35966	1.6
117.06973	24.6
119.08537	35.8
121.10090	32.8
123.07993	2.6
123.11651	3.6
129.06995	8.8
131.08517	21.5
131.59714	1.9
133.10089	22.7
135.11650	14.7
137.09576	20.8
139.11156	11.3
143.08508	9.8
145.10100	16.2
147.11664	11.5
149.09572	8.3
149.13268	3.5
151.11140	21.3
157.10124	10.3
159.11647	13.8
161.13243	7.8
163.11157	6.8
165.12683	2.6
169.10097	2.2
171.11731	7.2
173.13255	8.2
175.14766	7.1
183.11676	2.1
185.13211	10.3
199.14665	2.0
221.15312	3.8
257.19043	3.2
259.20587	2.1
267.39648	1.8
273.18390	8.7
274.19333	2.5
275.19989	32.7
277.21558	100.0
293.21103	7.2
295.22632	73.4
309.21075	1.8
349.98438	2.3
385.30756	2.3
493.39029	2.1
569.41644	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	622.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49721	3.3
53.03857	4.6
55.05442	26.6
57.06995	5.9
57.83749	3.1
67.05424	57.0
69.06985	22.8
71.08545	6.9
79.05399	29.5
81.03332	19.4
81.06992	33.9
83.04895	5.2
83.08553	6.0
88.21035	4.2
88.68117	4.3
89.04353	4.8
91.05418	19.6
93.06964	36.5
95.04893	19.2
95.08538	27.6
97.10102	5.3
107.08529	10.0
109.06470	4.7
109.10109	20.3
119.08481	16.4
121.10087	6.8
121.13347	4.9
133.10133	8.3
135.11676	7.3
137.09572	17.0
140.37422	4.0
151.11214	6.6
277.21558	100.0
279.23129	5.5
285.24048	4.3
295.22614	66.3
351.32587	5.2
429.26236	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	622.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	13.8
54.61090	1.9
55.01800	10.7
55.05453	30.8
57.03369	3.6
57.07009	11.3
58.11999	2.3
66.95415	2.8
67.05432	79.1
69.03348	4.8
69.06985	33.1
71.04910	3.6
71.08540	10.7
79.05413	50.5
81.03346	28.6
81.06976	69.3
83.04906	14.4
83.08545	10.9
85.06478	4.1
89.59612	2.8
91.05420	28.5
93.06383	3.6
93.06966	73.8
95.04898	26.8
95.08536	55.1
97.06455	10.8
97.10105	13.2
99.08047	4.6
105.06999	23.4
107.08540	29.3
109.06501	2.8
109.10098	22.4
117.06976	6.2
119.08531	29.6
121.10120	28.1
123.11645	4.7
131.08549	15.2
132.79361	2.9
133.10109	14.0
135.11674	11.1
137.09583	13.5
139.11154	12.0
143.74405	2.5
145.10112	4.4
147.11679	11.4
149.13232	11.0
151.11201	15.5
153.09251	2.5
161.09659	3.0
161.13159	8.3
163.11217	3.0
166.20457	2.4
173.13303	2.9
180.64758	2.8
203.12831	3.4
203.17944	3.2
209.57491	2.6
277.21561	100.0
279.23074	5.2
295.22604	83.7
296.22949	4.4
555.43829	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	622.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.6
55.01800	12.6
55.05443	31.1
57.03371	3.9
57.07001	12.1
58.58263	2.3
65.03922	2.8
67.05427	77.3
67.61869	2.4
69.03334	2.8
69.06983	45.4
70.70166	2.4
71.04919	3.8
71.08543	12.0
79.05411	89.0
81.03324	6.7
81.05603	2.5
81.06971	80.6
83.04879	5.4
83.08535	18.1
84.20546	3.1
85.10093	2.9
91.05402	52.0
93.06976	100.0
95.04891	23.0
95.08525	68.8
97.06461	6.9
97.10098	11.3
99.08018	5.7
105.06953	36.6
107.08541	55.9
109.06483	10.2
109.10130	29.0
117.06961	14.1
119.08547	32.7
121.10091	45.5
123.08024	2.9
123.11655	5.3
131.08560	19.8
133.10129	22.1
135.11664	25.0
137.09535	21.6
139.11134	5.2
143.08492	3.0
145.10109	17.8
147.11665	14.3
149.09613	3.4
149.13235	15.7
151.11151	17.1
159.11630	4.4
161.13252	11.8
163.14763	18.6
173.13226	11.0
175.14870	5.2
181.12282	3.5
243.21106	32.7
259.20441	2.9
261.22055	72.5
265.17517	2.5
265.94305	2.5
273.09604	2.9
275.19992	5.4
277.21591	64.9
293.21225	4.6
295.22635	60.4
366.91055	3.0
537.42279	4.5
555.43707	16.5
573.44916	4.0
622.43359	5.1
629.80554	2.9
650.44574	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	622.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54111	4.5
50.56361	4.7
55.05452	38.6
57.07003	31.7
62.34199	4.6
67.05431	76.2
69.06973	30.1
69.44902	4.8
71.08530	8.3
72.04436	28.2
79.05412	47.3
81.03357	8.5
81.06979	69.9
83.04858	5.3
83.08547	21.5
83.80834	6.0
85.10099	31.3
91.05398	36.9
93.06992	57.3
95.04893	23.2
95.08532	47.5
97.10112	13.1
105.06954	25.8
107.04912	21.3
107.08532	23.1
109.06449	10.9
109.10100	27.2
111.08067	5.7
113.09559	21.8
117.06973	6.8
119.08527	28.0
121.10090	33.2
122.06810	6.0
131.08537	11.4
133.10072	11.4
135.11617	12.0
145.10081	11.2
147.11638	27.5
149.09564	9.6
149.13281	7.1
151.11163	10.6
165.12714	34.7
184.07187	10.1
193.34628	5.6
229.21953	6.0
238.90590	5.4
261.22284	7.1
266.53595	6.1
275.20065	10.0
277.21558	74.0
293.21060	13.3
295.22638	100.0
310.30969	28.3
311.31570	7.2
347.24402	5.5
479.25406	6.7
538.76904	6.8
626.25024	6.3
639.65112	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	624.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81495	1.4
53.00235	3.0
53.03878	7.9
55.01595	1.4
55.01817	21.1
55.05220	1.9
55.05452	28.6
57.03379	21.7
57.07008	20.1
59.48164	1.8
61.02841	9.2
63.10922	1.7
67.05424	40.7
69.03350	76.7
69.06989	41.1
70.03671	1.7
71.04901	7.3
71.08527	10.4
71.57842	1.7
73.02821	9.1
79.05417	17.4
79.05786	1.9
81.02908	2.9
81.03338	55.2
81.06974	48.5
83.04887	2.4
83.08548	23.3
85.02828	100.0
85.03352	3.3
85.10087	3.5
86.74416	1.9
91.05389	11.1
93.06963	26.6
95.04883	2.0
95.08536	43.8
97.02824	43.2
97.10079	12.9
99.04388	19.9
101.02315	7.7
105.06999	16.1
107.04889	2.9
107.08547	16.7
109.02812	21.8
109.10094	17.3
111.02979	1.9
111.04346	2.9
111.08057	2.4
111.11623	3.0
119.08482	9.4
121.10096	15.8
123.04392	4.1
123.11648	4.1
125.09557	3.1
125.13202	1.8
127.03881	58.2
131.08525	3.4
133.10066	3.5
135.11664	15.4
145.04924	16.0
145.10059	2.8
149.13223	3.1
163.05977	2.8
171.11688	2.1
175.38547	1.9
180.08556	2.3
187.53429	2.0
247.24057	3.7
259.23969	2.1
265.25211	11.5
301.25012	1.9
302.77298	1.8
305.24701	3.9
307.26205	2.7
323.25623	9.7
331.26205	2.6
345.27646	2.5
355.26306	7.4
373.27200	25.8
391.28296	55.1
392.28513	2.1
409.24243	3.9
409.29349	65.0
427.30472	17.0
611.43738	2.2
619.10730	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	624.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	4.9
53.23142	2.9
54.81387	2.9
55.01797	21.8
55.05441	21.2
57.03367	5.9
57.07003	23.4
67.05416	29.7
69.03342	35.5
69.06994	32.1
71.04900	17.3
71.08555	14.5
73.02823	7.0
79.05401	16.2
79.33688	3.0
81.03350	45.9
81.06974	37.6
83.08525	19.7
85.02820	19.4
85.10106	5.3
86.09597	6.7
93.06973	19.3
95.08511	35.6
97.02821	39.8
97.10091	15.3
99.04382	81.0
102.24632	3.1
107.08517	5.3
109.02859	39.9
109.10110	14.9
114.05672	3.6
121.10083	18.6
121.67408	4.3
123.11684	5.0
127.03862	100.0
128.26410	3.3
135.11693	6.4
145.04924	14.3
215.62735	3.2
265.25247	8.5
273.96301	3.8
340.70343	3.7
348.95288	4.6
373.27313	7.0
409.29279	15.0
427.30350	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	5.0
55.01808	7.4
55.05271	2.8
55.05447	44.8
57.03365	4.4
57.06998	9.0
67.05425	86.7
69.03349	5.7
69.06966	33.6
71.04879	4.2
71.08539	34.8
79.05401	61.1
79.96911	4.0
81.03340	38.3
81.06979	85.4
83.04898	8.4
83.08528	18.1
91.05398	33.9
92.10945	11.3
93.06966	71.8
95.04897	42.5
95.08532	59.9
95.64229	4.1
96.28119	4.0
97.10110	18.1
99.07990	18.5
105.06974	21.1
107.04853	5.7
107.08526	32.4
109.06468	4.9
109.10122	41.8
109.73770	3.9
116.66245	3.8
117.06917	4.7
119.08538	18.2
121.10098	29.8
125.09564	7.2
131.08522	8.5
133.10106	20.5
135.11659	5.9
137.09564	20.3
139.11130	6.8
141.09076	4.8
147.11655	4.2
149.09586	4.4
151.11162	42.7
167.10652	4.2
177.12645	4.9
213.14757	4.2
220.82401	3.5
232.32803	3.7
275.19891	4.5
277.21548	84.7
284.41513	4.1
291.19281	8.8
293.21130	16.9
295.22620	100.0
309.20392	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	624.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	3.0
55.01809	15.9
55.05453	45.1
57.03371	3.8
57.07005	14.1
59.54328	3.3
64.32982	2.9
65.03870	4.2
66.47333	3.1
66.95616	2.9
66.97713	3.3
67.05433	100.0
69.06999	31.6
69.86864	3.0
71.08552	4.8
74.09625	19.8
79.05405	46.5
81.03346	3.7
81.06980	85.9
83.04888	6.5
83.08540	22.8
91.05418	26.0
93.06979	46.9
95.04893	7.4
95.08530	58.2
97.06453	5.0
97.10139	23.2
105.06982	20.9
107.08546	24.1
109.10114	36.2
111.08010	3.6
117.06989	8.0
119.08539	21.3
121.10091	22.3
125.09570	20.3
131.08554	6.8
133.10118	12.2
135.08006	6.3
135.11664	6.1
137.09618	3.9
139.11143	4.5
145.10110	3.9
147.11684	4.7
153.09103	4.6
160.04686	3.5
161.13130	4.4
165.09094	3.9
165.12817	3.7
166.46663	3.1
169.92780	3.3
173.11653	5.9
189.11230	6.6
197.11382	4.0
199.43677	3.8
249.22246	3.9
273.18527	4.7
277.21487	22.8
291.19443	23.2
295.22620	22.2
309.20596	70.3
312.32477	47.5
313.32962	6.2
327.21494	15.1
471.43997	4.1
481.24319	3.9
589.44672	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	624.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	5.2
55.01820	6.8
55.05455	30.2
56.93776	0.8
57.03377	4.8
57.07015	8.4
65.03877	0.8
67.05431	58.1
68.05753	1.0
69.03356	4.2
69.06991	27.0
70.36661	0.8
71.04904	6.4
71.08548	19.6
71.46476	0.7
79.05406	39.3
79.05866	1.5
81.03337	25.9
81.06976	43.6
83.04899	9.9
83.08543	12.2
85.06471	5.3
85.10157	0.9
91.05414	22.9
93.06974	52.5
95.04894	31.4
95.08533	37.8
97.06465	7.8
97.10086	13.7
99.08039	10.2
105.06982	19.6
107.04892	1.7
107.08541	22.9
109.06474	5.9
109.10115	21.6
111.08037	3.3
117.06993	6.1
119.08536	17.6
121.06514	1.0
121.10114	22.2
123.08038	1.8
123.11690	1.9
125.09597	5.1
129.07002	3.3
131.08516	5.8
133.10107	12.6
135.08057	0.9
135.11662	10.4
137.09612	12.9
139.11214	2.0
143.08540	3.6
144.32037	1.0
145.10129	4.9
147.11723	7.8
149.09598	1.8
149.13260	6.9
151.11156	20.1
157.10132	1.7
159.11696	6.8
161.13240	5.3
163.11119	6.2
165.12686	3.7
173.13132	1.3
175.14879	1.7
179.14278	8.2
185.13239	2.0
189.11195	3.5
191.14212	1.3
195.13811	1.0
199.14818	1.5
221.15453	3.3
231.20930	1.2
241.19463	1.4
249.22034	3.6
259.20511	4.4
275.19806	1.2
277.21573	100.0
278.21899	3.7
295.22626	58.8
295.26007	1.9
296.22971	1.3
451.40173	0.9
455.35083	4.0
473.36356	3.3
571.42554	1.2
576.75452	1.2
589.44867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99892	1.0
53.00242	2.0
53.03881	2.0
55.01802	10.7
55.05453	41.8
57.03372	6.6
57.07005	6.2
59.04950	1.7
63.18079	1.1
65.03868	1.5
67.05426	100.0
69.03342	7.4
69.06988	40.9
71.04909	5.2
71.08552	11.6
73.01883	1.2
79.05408	42.7
81.03335	18.5
81.06506	2.5
81.06976	60.4
83.04893	14.5
83.08537	16.3
85.06464	5.4
85.10105	1.5
91.05408	29.3
93.06973	58.2
95.04893	28.7
95.08533	51.3
97.06482	10.7
97.10107	13.4
98.52941	1.1
99.08029	6.0
105.06976	20.1
107.04899	1.7
107.08535	23.9
109.06461	8.0
109.09393	2.6
109.10102	47.5
111.08016	3.0
113.09574	1.5
117.06985	8.0
119.08535	25.5
121.06471	1.9
121.10095	19.4
123.07992	4.2
123.11679	5.8
125.09570	5.4
129.07001	2.2
131.08546	8.0
133.10089	13.6
135.08057	2.0
135.11653	10.1
137.09570	19.7
139.11154	7.5
143.08528	2.0
145.10133	2.6
147.11664	10.1
149.13235	7.9
151.11145	21.6
157.10086	2.2
159.11642	2.4
161.09605	1.4
161.13231	5.6
163.11115	2.9
165.12733	8.2
165.48318	1.1
171.11610	4.9
173.11693	10.2
173.13109	2.1
175.14818	2.2
177.12787	1.7
179.14322	4.5
181.12195	2.2
185.13284	5.0
189.12677	1.4
195.13702	1.9
207.13731	1.6
221.15370	1.9
231.20987	2.0
241.19505	2.2
249.22099	7.3
259.20511	4.8
275.20209	1.4
277.21567	73.8
278.21909	2.9
293.20966	6.2
295.22623	56.2
295.76682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38342	1.3
53.00248	1.5
53.03885	8.3
55.01811	7.6
55.05447	41.6
57.03369	7.1
57.07008	13.4
62.18347	1.4
64.33202	1.7
65.03849	1.9
67.05427	77.5
69.03340	2.2
69.06641	2.6
69.06986	34.9
69.98811	1.3
71.04899	6.3
71.08533	15.1
79.05404	50.1
80.05739	2.2
80.67462	1.2
81.03339	30.9
81.06971	56.6
83.04906	13.8
83.08557	12.4
85.06474	6.2
85.10106	5.7
91.05402	32.5
92.10892	4.0
93.06970	65.9
94.92378	1.6
95.04894	32.5
95.08534	54.8
97.06465	10.6
97.10108	9.2
99.08002	10.2
105.06980	20.7
107.04886	3.1
107.08547	27.7
109.06458	8.1
109.10104	29.9
111.08028	2.2
113.09592	6.8
117.06979	7.2
119.08523	18.6
121.06435	2.3
121.10075	21.0
121.67017	1.4
123.08028	2.2
123.11681	6.1
125.09574	6.2
129.06934	3.0
131.08548	11.3
131.28537	1.5
133.10117	16.1
135.11650	13.2
137.09586	21.1
139.11154	13.4
143.08519	3.3
145.10080	6.8
147.11629	12.5
149.09570	2.7
149.13257	10.0
151.11147	23.5
153.12659	1.8
157.10159	1.6
159.11630	5.5
161.13188	8.1
163.11156	7.0
165.12697	11.3
171.11649	2.0
173.13271	2.9
175.14754	2.2
177.12717	5.4
179.14247	2.9
185.13214	2.8
193.12187	1.6
195.13728	2.8
203.12714	2.4
221.15266	3.0
241.19337	3.1
249.22072	3.2
251.44081	1.5
259.20447	3.0
277.21545	100.0
278.21799	5.2
293.21051	2.0
295.22623	84.5
296.22900	3.4
312.31656	1.5
330.37604	1.6
471.34839	1.8
489.35556	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	624.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	2.6
55.01816	9.2
55.05452	21.0
55.61702	1.0
57.03370	2.5
57.07008	7.7
61.03220	1.0
65.44507	1.0
65.87044	1.0
67.05426	46.9
69.03350	2.4
69.06985	23.7
71.04909	5.5
71.08558	10.0
79.05403	29.8
81.03333	33.0
81.06973	40.9
83.04891	7.7
83.08529	6.0
85.06471	5.8
85.10097	5.7
91.05407	16.5
93.06969	44.0
95.04885	23.8
95.07963	2.2
95.08528	36.9
97.06461	6.4
97.10085	6.9
99.08038	9.2
105.06971	12.5
107.04887	2.5
107.08543	20.1
109.06482	3.1
109.10103	21.0
113.09587	5.3
117.06942	2.1
119.08527	13.5
121.10103	19.0
123.08036	2.3
123.11690	3.0
125.09633	1.6
126.80147	1.3
131.08498	6.0
133.10074	10.0
135.11670	8.5
137.09587	20.4
139.11147	7.6
145.10074	2.8
147.11667	8.1
149.09592	5.1
149.13261	5.2
151.11159	15.4
159.11606	1.4
161.13182	2.3
163.11171	5.0
163.14764	1.8
165.12683	9.3
171.11641	2.1
173.13263	1.7
175.14780	2.7
179.14299	3.1
185.13333	1.4
193.15881	1.9
203.12685	1.7
221.15298	6.2
231.20895	1.6
249.22069	6.2
259.20749	4.1
277.21558	90.2
278.21936	2.3
295.22601	100.0
296.22870	2.6
410.22574	1.3
460.95502	1.4
558.44934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	6.6
55.01798	2.7
55.05193	1.8
55.05450	36.0
57.03361	8.6
57.07017	12.8
62.04467	1.3
65.03872	1.8
65.33855	1.5
67.05427	100.0
68.05730	1.5
69.03341	6.8
69.06989	30.4
71.04908	9.0
71.08545	20.1
73.02824	2.9
73.06470	2.3
79.05407	44.2
81.03339	27.6
81.06973	80.8
81.58443	1.4
83.04906	16.3
83.08524	9.1
85.06492	5.8
87.04395	2.0
89.05949	15.8
91.05403	29.5
93.06970	59.0
95.04891	24.3
95.08526	71.0
95.25365	1.6
95.38403	1.8
97.06466	10.0
97.10075	8.3
99.08015	6.9
105.06970	19.7
107.08530	23.8
109.06451	7.2
109.10098	25.8
109.62643	1.5
111.08014	3.4
117.06961	6.1
119.08511	21.0
121.06435	2.1
121.10080	27.1
123.08021	3.6
123.11647	7.4
125.09634	2.7
127.43448	1.5
129.06938	3.3
131.08543	13.2
133.08566	3.7
133.10095	15.0
135.08040	1.8
135.11671	14.6
137.09631	13.4
137.13223	2.2
139.11148	9.0
141.12744	2.2
143.08499	2.2
145.10097	8.1
147.07990	2.7
147.11662	8.0
149.09596	6.2
149.13260	2.7
151.11195	13.3
159.11617	2.9
161.13202	6.3
163.11137	6.3
165.12733	8.9
167.10596	1.8
173.13252	6.1
175.14828	2.2
177.12672	2.5
179.14296	3.0
185.13235	2.0
195.13809	3.2
203.12773	2.1
245.95317	1.6
249.21994	2.7
277.21570	65.3
279.23126	14.2
293.21365	1.7
295.22620	43.0
331.74567	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	0.7
55.05442	4.4
57.03365	1.5
57.07017	9.8
57.87543	0.6
67.05429	13.3
69.06980	3.4
69.36659	0.6
71.08535	4.2
72.04436	6.2
79.05408	1.2
81.06988	7.5
83.08529	2.8
85.10109	1.1
90.27345	0.6
91.05399	3.0
91.39417	0.6
93.06974	4.0
95.08542	6.5
102.09103	4.0
105.06992	1.0
107.08531	1.5
109.10123	10.1
115.05779	0.7
116.10674	4.0
119.08516	1.3
121.10106	1.2
130.12231	1.4
135.11687	0.9
135.29347	0.8
143.81023	0.8
161.67001	0.6
173.11679	10.7
221.63760	0.8
277.21616	2.8
295.22638	2.9
312.32544	100.0
313.27469	1.2
313.32883	40.7
348.38943	0.8
428.28601	0.7
431.10278	0.9
495.43832	1.6
648.03314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	9.5
55.05445	21.2
57.03362	10.2
57.07003	8.8
59.06055	2.5
60.05574	2.3
67.05422	81.1
69.06990	25.8
71.04896	4.2
71.08533	8.9
71.35069	1.9
79.05405	43.1
79.86423	1.9
81.03325	3.0
81.06973	100.0
83.04907	11.2
83.08533	21.7
85.06458	2.6
91.05405	19.4
93.06968	74.5
95.04897	5.2
95.08530	38.7
97.06451	16.8
97.10108	2.5
99.07989	3.2
105.06960	14.8
107.08530	41.4
109.06474	2.4
109.10104	5.2
111.08018	23.0
111.11659	2.1
117.06965	13.8
119.08540	5.3
121.10106	19.9
131.08528	13.9
133.10075	27.1
135.08005	2.9
135.11655	22.3
142.60228	2.4
147.11659	4.8
149.13229	46.7
151.11121	3.0
159.11652	24.8
165.12796	2.8
177.12668	13.4
195.13739	53.1
213.14819	11.8
227.16374	42.8
230.68005	2.4
277.21509	20.5
295.22693	4.1
309.23990	8.8
315.92374	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	624.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	68.3
57.06992	15.5
60.29695	9.7
65.20261	11.5
67.05083	9.3
67.05422	94.1
69.06991	52.9
71.12402	10.9
75.28589	10.0
79.05423	53.1
81.03322	11.2
81.06979	80.7
82.22206	10.4
83.08538	17.5
93.06973	58.3
95.04948	12.6
95.08529	63.6
97.10049	18.1
105.07028	13.7
107.08527	24.3
109.10147	28.4
121.10106	15.9
133.10120	13.8
137.09677	11.7
150.29404	12.1
151.11110	16.1
161.13097	14.3
189.11278	15.6
225.50293	11.8
277.12457	12.5
277.21625	100.0
295.22653	78.0
314.34259	15.1
544.88245	12.9
625.40137	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47541	0.8
55.01801	1.3
55.05449	5.4
56.03206	0.9
56.28694	0.9
57.03363	4.4
57.07010	5.4
60.05592	1.2
67.05427	32.0
69.06991	2.7
71.04896	1.2
71.08552	4.5
72.04436	5.7
74.33347	1.0
74.81306	1.1
79.05407	6.0
81.06961	10.6
83.08542	2.1
91.05399	2.6
93.06989	6.6
95.08537	5.6
102.09097	1.5
103.93452	1.2
107.08535	2.6
109.10114	32.3
109.98315	1.1
116.10708	4.3
119.07187	1.2
119.08542	4.5
121.10187	1.3
129.41559	1.0
130.12292	1.3
131.08501	1.3
131.81641	0.9
133.10092	1.7
137.09625	1.5
155.10684	2.4
161.11746	1.0
173.11703	42.1
277.21539	2.7
295.22650	5.8
297.49786	1.2
312.32541	100.0
313.32898	40.9
331.34979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03372	4.7
67.01725	2.9
69.03345	16.7
70.06511	20.4
72.08062	11.1
74.98608	2.9
77.74677	2.8
81.03339	4.5
81.37318	2.7
84.04439	4.1
84.08046	6.0
85.02827	18.4
86.09614	3.9
91.05407	11.7
95.04881	3.3
97.02834	20.4
105.03359	3.4
107.04909	4.2
109.02873	6.0
110.07121	6.1
112.83032	2.9
117.03322	4.0
119.04918	6.5
121.02818	6.9
124.03938	6.5
127.03902	4.7
129.10178	3.5
136.07689	3.5
137.02319	12.8
145.02844	13.2
147.04405	30.8
149.06004	16.4
151.03909	48.3
152.77141	3.1
159.04535	3.9
159.58276	3.1
162.05525	15.3
163.03941	3.5
164.75844	3.0
175.03856	4.3
177.05441	16.6
181.04901	5.2
189.01917	3.1
191.03453	4.2
195.02902	4.4
203.03485	4.9
207.02882	6.0
214.43306	2.9
217.47578	3.2
218.08914	3.1
219.02943	4.2
221.04312	3.8
225.04062	4.2
243.11140	3.3
273.04446	3.2
309.07715	5.2
310.04724	15.3
311.05505	4.1
313.06934	7.4
322.04550	13.4
323.05591	4.5
323.09277	4.9
324.06210	26.3
325.07001	91.8
326.07614	11.6
327.08707	6.8
336.06219	15.4
337.06982	53.9
338.07642	15.6
339.08670	7.2
340.05774	4.7
349.06760	3.8
350.07837	5.3
351.08536	29.8
352.05750	13.1
352.09662	5.1
355.08035	100.0
362.07950	3.5
363.08456	4.1
365.10004	9.9
366.07187	7.5
367.08032	62.5
377.10135	13.2
379.08151	31.9
381.09702	21.9
385.09161	14.3
391.08151	15.9
395.11215	12.2
397.08798	4.0
403.08264	4.0
405.09604	4.7
409.09171	43.9
421.09189	27.6
433.09018	19.9
439.10062	32.4
445.09103	5.3
449.91876	3.4
451.10074	19.2
457.11499	25.7
464.15125	14.8
469.11047	16.5
487.12231	74.6
493.10992	4.5
505.13202	15.2
511.12070	16.3
529.13104	16.1
541.13135	15.0
553.13287	20.3
559.14075	4.5
571.14343	21.4
589.15204	20.4
607.16315	16.6
625.21686	6.2
625.31567	4.0
626.20465	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	625.1763
Annotation	Azaleatin 3-rutinoside
Peak:m/z	Relative Intensity
53.03872	1.1
55.01797	0.4
55.05444	0.5
56.96475	0.3
57.03370	3.4
61.02847	0.7
67.05392	0.3
68.99725	0.3
69.03350	2.7
70.06510	2.5
71.04907	13.6
72.08054	0.6
73.02824	0.4
75.04395	0.5
81.03346	2.5
81.91074	0.3
83.04887	0.4
83.08502	0.3
84.04433	0.3
84.08047	0.5
85.02827	18.6
85.14687	0.2
86.09628	0.5
91.05403	0.6
92.02527	0.5
93.03310	0.5
93.06942	0.3
97.02837	3.1
98.97523	0.3
99.04369	0.5
100.11156	0.5
102.93118	0.3
103.05444	0.4
106.02891	0.9
109.02808	1.6
110.07143	0.4
111.04419	0.3
117.03311	0.5
119.04901	0.4
121.02804	1.9
124.03905	2.3
127.03828	1.4
129.05411	1.7
139.03905	1.1
145.02818	2.6
145.04965	0.5
146.05954	1.5
147.04376	1.1
147.06430	0.4
151.03870	1.6
153.01804	6.9
162.05482	6.9
163.03853	0.4
163.05838	0.4
165.01814	0.4
177.05429	4.8
182.15361	0.6
190.04875	0.5
201.05383	0.5
207.06511	0.5
210.14838	0.7
217.04932	0.5
218.05557	1.0
228.04135	1.4
229.04893	3.2
245.04370	1.2
246.05173	2.3
257.04361	3.3
261.07504	0.3
273.03848	1.3
274.04642	5.4
282.02808	0.5
284.03134	0.4
285.03821	5.0
302.04150	17.1
303.04535	0.4
317.06488	100.0
318.06845	4.6
463.18634	2.8
625.23956	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2531
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
53.03898	2.5
55.05429	2.1
64.33153	2.0
67.05424	12.1
69.06995	3.3
75.69519	1.8
76.55882	2.2
79.05387	2.6
81.06960	2.9
85.10108	2.6
89.03834	4.0
91.05412	31.5
93.07001	24.4
95.04881	12.9
95.08514	3.0
103.05408	17.7
107.04924	3.0
109.10065	4.1
117.03305	5.4
119.04886	19.1
119.08454	2.7
121.06464	94.8
123.04386	2.5
131.04813	2.9
133.02808	13.9
135.04411	4.3
137.05962	29.8
138.09000	2.8
145.02843	20.6
145.06483	2.5
147.04379	14.8
149.05952	12.4
150.06743	8.5
154.96288	2.4
161.05972	2.6
164.07031	3.5
173.05974	3.6
173.11700	8.1
175.03870	15.5
177.05504	24.6
177.06943	4.0
181.04929	5.4
186.03127	5.4
187.03877	2.8
201.05403	18.2
205.06462	19.0
207.33578	2.2
217.72957	2.5
221.05826	2.5
222.06689	4.9
233.05940	12.0
235.07416	9.0
237.09059	9.1
247.07501	3.4
249.05344	8.1
250.06152	12.1
251.06949	2.8
263.06985	11.2
264.07776	9.0
265.04965	20.7
265.08337	18.7
267.06250	2.6
277.21548	3.1
278.05554	4.2
280.07294	3.9
291.06454	4.4
292.07208	26.4
293.04434	14.4
293.08014	20.1
297.11176	2.8
299.76971	2.7
307.09637	30.6
308.06711	100.0
309.07037	2.9
323.09204	15.5
325.10684	59.2
336.06198	3.8
351.08600	73.7
462.19095	22.4
488.16968	34.6
550.66705	3.0
625.24921	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	625.2544
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
53.03880	2.6
55.01802	0.6
58.99474	0.6
62.67167	0.5
70.06514	0.7
72.08078	0.7
81.03331	0.8
86.09664	0.5
89.03819	1.0
91.05405	11.6
93.06970	16.2
95.04912	6.4
103.05413	11.6
117.03342	3.5
119.04884	0.8
120.11180	0.6
121.06458	100.0
122.06762	1.2
125.95565	0.7
127.03864	0.6
129.57710	0.6
141.03325	1.3
144.24286	0.7
145.02820	10.3
145.06543	0.7
146.03172	0.9
146.05994	5.1
147.04367	3.6
149.05946	1.0
162.05466	1.4
164.07063	5.0
173.05862	0.7
177.05431	9.9
178.05811	1.2
183.09839	0.6
191.06982	8.8
201.05342	63.0
205.06456	3.4
207.08142	0.7
219.08018	2.7
220.05161	3.2
221.05957	1.3
222.06755	3.0
233.05910	2.6
234.06691	3.3
235.07481	12.8
237.09061	13.9
239.07011	0.9
244.05916	1.5
247.07544	2.5
248.04654	3.6
249.05292	2.9
250.06187	4.5
251.06905	0.8
263.06952	15.9
263.09448	1.1
264.07736	0.9
265.05222	2.2
265.08548	27.8
266.09195	0.8
267.06451	2.3
279.09818	0.8
280.07217	6.5
282.08801	34.7
283.09137	0.9
285.64120	0.8
291.06476	18.2
297.11118	15.0
308.06772	2.2
313.10596	2.9
323.09070	47.7
324.09546	1.1
364.11685	7.7
460.17465	29.6
461.17969	1.4
488.16949	50.8
489.17099	3.0
572.72388	0.7
654.06567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39171	1.4
54.95085	1.6
55.01796	3.3
55.05449	18.3
57.03355	9.2
57.07000	2.8
59.04910	3.0
62.17309	1.5
67.05085	2.7
67.05423	80.8
69.06982	14.3
71.04899	3.5
71.08537	2.5
71.23540	1.5
79.05390	6.6
81.03309	2.4
81.06968	36.5
83.08517	12.5
85.06439	3.4
91.05421	11.9
92.79967	1.5
93.06959	16.9
95.04871	6.8
95.08549	15.0
97.10081	3.2
98.23924	1.7
99.08019	1.9
105.06956	3.0
107.08520	8.6
109.10098	87.9
111.08012	2.2
117.03279	2.1
119.08504	9.5
119.36531	1.7
121.10075	4.0
125.09632	3.4
131.06152	1.6
131.08492	1.9
133.10056	2.5
135.11630	3.1
137.09535	3.5
145.02818	3.5
147.04384	2.9
149.13188	2.7
155.10571	6.3
173.11690	100.0
174.12094	2.5
177.05350	3.9
189.11214	2.4
195.13733	2.8
225.62408	1.7
277.21600	13.4
295.22482	8.1
579.18652	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	625.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00259	1.8
53.03891	8.4
54.81624	1.7
55.01815	4.5
55.05454	21.4
57.03359	3.1
57.06996	2.7
67.05426	55.0
69.06992	23.5
71.08548	15.4
79.05411	33.4
81.03334	23.9
81.06969	39.4
83.04907	4.7
83.08542	9.6
83.62062	1.9
86.26443	2.0
91.05405	19.4
93.06975	46.8
95.04903	19.8
95.08543	39.8
97.06450	9.0
97.10107	3.1
99.08018	4.7
105.06955	9.1
107.08542	24.7
109.06475	2.5
109.10111	21.4
117.06983	2.8
119.08531	9.8
121.06509	2.1
121.10134	17.1
123.11671	2.5
131.08522	4.1
133.10117	10.8
135.11662	5.1
137.09598	18.2
139.11159	3.0
145.10048	3.8
147.11678	4.0
149.13217	4.8
151.11154	19.9
151.75365	2.1
153.12817	2.9
159.11826	2.9
165.12718	2.7
167.62938	2.0
169.28302	2.1
169.59018	2.2
182.63649	1.9
221.15431	2.1
249.22096	3.9
259.20505	2.3
276.43942	2.5
277.21561	71.7
278.21878	4.6
279.23141	3.2
295.22617	100.0
296.22867	2.5
297.23480	2.0
300.40326	2.2
359.90317	2.4
399.40152	2.2
422.63562	2.4
625.40240	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	625.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	2.0
53.03897	2.8
53.15808	1.2
55.01811	13.4
55.05452	52.2
57.03374	6.0
57.07008	9.6
59.04930	1.6
60.32141	1.1
65.03849	2.1
67.05428	79.9
69.03351	1.9
69.06647	2.5
69.06991	41.9
70.07330	1.5
71.04916	6.7
71.08549	29.0
74.54552	1.2
79.05407	54.8
81.03349	6.0
81.06976	100.0
83.04908	14.5
83.08539	41.2
85.06477	7.4
85.10113	8.0
90.55065	1.5
91.05405	40.4
93.06970	63.0
95.04906	16.1
95.08537	47.5
96.08908	1.2
97.06464	11.3
97.10114	21.9
99.08031	21.3
102.43656	1.3
105.06979	35.1
107.04899	5.8
107.08537	42.0
109.06454	6.5
109.10097	24.0
109.10768	1.7
111.08015	14.0
113.09614	3.3
116.69233	1.3
117.06973	13.8
119.08544	21.9
121.06415	2.2
121.10098	27.0
123.08045	2.6
123.11652	9.6
125.09599	18.1
129.06975	6.6
131.08540	19.1
133.10083	27.4
135.08046	1.8
135.11647	21.7
137.09546	2.7
139.11130	2.3
141.08980	1.6
142.22505	1.4
143.08536	6.8
144.20879	1.3
145.10097	11.2
147.11667	18.1
149.09569	3.2
149.13228	25.2
151.11143	24.7
153.12694	2.8
155.08495	1.9
157.10126	6.6
159.11659	13.9
161.13181	11.3
163.03828	1.9
163.11105	11.2
163.14749	2.2
165.12685	11.0
171.11699	2.9
173.11690	10.3
173.13144	2.9
175.11168	2.5
175.14746	2.8
177.12706	10.4
179.14316	6.9
185.13321	2.1
187.14758	1.6
189.11191	8.2
191.66885	1.4
195.13760	25.2
213.14778	18.3
231.21011	1.4
241.19461	2.0
259.20462	8.8
277.21555	59.3
278.22089	1.9
293.21301	5.4
295.22614	44.7
317.24606	3.3
389.26639	1.9
417.33606	1.7
447.34329	1.5
459.34116	2.6
463.34097	2.1
471.34067	1.8
475.34326	1.8
477.35715	1.9
487.92398	1.6
489.35370	8.4
553.42963	1.8
571.42944	6.0
589.44128	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	625.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86974	0.8
53.00243	2.2
53.03880	2.3
55.01815	8.3
55.05184	2.0
55.05453	49.5
56.48792	0.9
57.03365	4.6
57.07010	4.5
64.32676	0.9
65.03893	1.1
66.16791	0.9
67.05074	2.2
67.05428	56.3
67.05785	2.2
67.15247	1.1
69.03345	2.6
69.06988	27.2
69.07356	2.0
71.04902	2.2
71.08549	64.4
72.08886	1.4
75.80965	1.0
79.05408	37.5
79.45956	1.0
81.03334	10.4
81.06976	55.1
83.04902	8.8
83.08530	31.6
85.06470	2.4
91.05414	26.4
93.06974	50.1
95.04887	12.8
95.08532	30.6
97.06459	6.5
97.10099	40.6
99.08024	46.3
103.05441	1.3
105.06976	24.7
107.04896	2.0
107.08540	29.4
109.06438	4.6
109.10098	14.2
111.08031	2.6
113.09592	1.8
117.06962	7.1
117.83556	1.2
119.08533	17.0
121.06403	1.4
121.09362	1.2
121.10108	12.8
123.08063	2.4
123.11652	1.4
125.09585	30.9
129.06966	2.6
131.08545	5.9
133.10107	12.9
135.07982	2.7
135.11665	14.1
137.09573	2.3
137.13257	1.4
143.08548	4.4
145.10106	6.3
147.11681	8.2
149.13237	6.8
151.11153	56.2
152.11522	1.4
153.09071	1.9
153.12633	1.4
157.10062	2.4
159.11659	5.4
161.13216	17.9
163.11153	25.3
163.14827	2.1
165.12708	2.1
171.11581	1.5
173.11699	1.2
173.13222	1.4
175.14787	2.8
177.12738	5.5
179.14268	18.3
185.13176	1.7
189.11203	32.6
189.12711	2.7
193.16005	1.3
195.13835	4.6
199.14743	1.6
213.16318	1.4
221.15269	1.3
231.20972	2.5
241.19409	6.6
249.22133	1.4
259.20505	9.3
266.79132	1.3
273.11172	1.6
277.21576	100.0
278.21878	6.2
283.92001	1.2
293.21094	4.7
295.22617	36.3
295.25589	2.1
296.22705	2.1
365.23138	1.2
553.43066	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81594	1.5
55.05458	1.9
55.20439	1.7
67.05424	3.6
70.23224	1.8
76.41985	1.9
81.06968	2.1
103.01803	3.3
111.04371	2.5
116.07012	2.5
122.98057	2.6
134.24606	2.1
135.04364	11.4
139.03874	1.9
149.02338	67.5
149.03506	3.9
153.05382	2.8
154.72130	2.2
163.03859	100.0
163.04855	6.4
167.99846	2.1
175.03882	3.9
193.04916	59.5
207.06502	90.2
237.07567	34.2
273.11261	9.4
276.81570	2.1
310.34647	1.9
337.27448	3.3
347.04413	2.5
359.07742	2.8
385.09033	4.8
399.10675	17.4
429.11710	19.4
473.60748	2.1
482.02390	2.2
591.14789	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	626.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05725	1.1
53.03891	11.1
53.55927	1.1
55.01814	11.4
57.03362	6.9
58.95108	1.6
61.02842	7.3
63.50259	1.2
64.94856	1.5
68.99692	3.2
69.03347	29.4
70.06503	3.3
71.04901	3.2
72.63345	1.4
73.02810	2.6
74.46932	1.3
79.05408	5.9
81.02905	2.3
81.03339	37.9
83.04897	2.0
84.04386	2.5
84.08067	2.2
85.02827	62.9
86.09624	2.4
87.00746	25.3
90.56466	1.2
91.03849	2.2
91.05405	12.2
93.06950	3.0
97.02818	34.3
98.09587	1.4
99.04369	16.3
103.05391	6.5
105.01826	13.7
105.06970	1.8
107.04869	7.7
108.04420	6.4
109.02831	30.4
112.78270	1.7
115.05421	10.7
117.01773	3.0
117.03323	1.3
117.06995	5.8
119.04872	2.7
121.06487	1.7
124.03907	6.0
126.05420	2.2
127.03877	35.3
128.06215	5.7
129.01794	2.0
129.06949	20.0
131.04871	9.0
131.08527	25.2
133.06465	2.3
133.10072	1.9
137.05956	48.5
141.06973	10.8
143.04866	3.6
143.05931	1.4
144.05684	20.0
145.02827	8.1
145.04945	7.9
145.06491	10.9
146.05963	2.6
147.04375	8.1
147.08000	3.5
149.05904	2.2
152.04784	1.6
157.06451	20.2
159.02869	12.7
159.08022	49.7
160.05167	6.8
160.08342	1.5
161.05923	3.2
162.05453	19.1
163.07425	1.7
167.06998	31.1
169.06377	2.1
169.07550	3.2
172.05112	3.3
173.05913	1.9
174.06737	3.6
175.07526	25.5
177.05373	11.8
177.09062	2.8
187.07501	45.8
189.09077	15.8
190.22403	1.7
192.07788	6.6
193.08565	6.0
204.07765	1.9
205.08560	9.1
207.06454	2.5
207.10175	11.8
217.08479	1.9
219.08006	2.6
219.10124	71.8
221.11633	5.9
231.04901	3.1
237.11162	100.0
248.07613	2.3
249.11176	3.6
261.11166	2.1
266.08688	2.0
273.65833	1.4
281.07919	1.6
282.02603	1.9
327.12122	1.9
331.08005	2.2
332.08252	3.5
341.85275	1.8
343.14828	1.6
356.92993	1.6
428.17905	1.9
431.13312	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51052	0.6
53.00241	0.8
53.03882	0.6
55.01808	0.8
55.05450	10.1
57.03371	0.7
57.07016	3.7
65.03866	1.3
67.05429	100.0
68.75629	0.7
69.03345	3.3
69.06989	11.4
71.04901	1.1
71.08552	3.4
72.23683	0.6
79.05405	12.3
81.03344	2.9
81.06977	90.5
82.07321	1.6
83.04913	1.0
83.08521	6.5
85.02837	4.9
85.06477	1.6
91.05407	7.1
92.10201	1.0
93.06978	17.2
95.04885	1.5
95.08533	66.8
97.02809	1.7
97.06488	1.4
97.10091	3.4
105.06943	5.4
107.08530	13.3
109.02824	1.0
109.06489	1.3
109.10110	19.1
111.15890	0.7
117.06961	1.5
119.08510	3.4
121.10102	7.9
123.08060	1.1
123.11663	8.9
127.03894	3.7
129.06999	0.9
131.08528	6.5
133.10040	2.7
135.11670	5.9
137.13225	6.8
145.10152	1.5
147.11638	3.3
149.09596	1.1
149.13249	5.8
151.14825	2.9
153.09004	1.0
157.10156	0.8
159.11656	3.9
161.13281	1.6
163.11140	1.5
163.14774	1.1
173.13219	4.8
177.12746	0.9
181.12352	0.9
187.14876	0.9
195.13773	4.2
203.76494	0.8
209.15366	3.7
213.14790	1.4
223.16875	1.2
243.20993	1.6
261.22095	1.7
277.21613	1.6
279.23132	39.3
280.23547	0.9
316.25510	0.8
340.50580	0.9
394.93515	0.8
411.31113	1.0
429.32468	1.2
588.33600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67241	0.6
53.00248	1.3
53.03879	1.0
55.01806	4.8
55.05194	1.4
55.05453	35.6
56.10036	1.0
57.03379	7.6
57.07006	5.8
59.04922	1.5
67.05431	100.0
67.69389	0.8
68.05750	1.0
69.03347	3.9
69.06989	26.0
71.04900	4.6
71.08539	5.4
79.05418	25.9
81.03332	1.9
81.06979	75.8
81.66095	0.8
82.07294	1.1
83.04894	4.4
83.08544	20.3
85.06476	6.4
85.29235	0.7
91.05401	11.1
92.10250	2.0
93.06978	29.0
94.07290	0.9
95.04893	5.1
95.08537	49.5
96.08797	1.4
97.06455	7.3
97.10104	21.5
99.08028	3.3
105.06986	7.4
107.08543	25.0
109.06461	1.3
109.10110	68.5
110.10443	1.8
111.08014	2.1
113.09584	1.2
117.06953	3.4
119.08527	11.0
121.10087	10.4
123.08028	1.7
123.11685	9.1
125.09593	13.4
131.08525	6.2
133.10092	3.7
135.07977	1.6
135.11674	12.1
137.09604	5.4
137.13232	5.0
139.11154	1.1
145.10074	4.3
147.11662	4.7
149.09656	1.5
149.13216	3.2
151.11140	1.4
151.14760	1.4
153.09094	1.3
153.12730	1.9
155.10619	5.0
159.11665	1.9
161.13223	3.8
163.11182	1.1
163.14771	2.0
165.12717	1.9
170.09882	1.1
173.11734	33.4
173.13232	4.3
174.12216	1.0
177.16338	1.4
187.14807	1.0
189.11176	9.6
195.13693	1.1
204.22893	1.1
209.15414	1.0
233.22632	1.6
243.21045	1.5
261.22162	7.2
277.21649	8.0
278.21902	1.7
279.23132	48.0
280.23444	2.0
295.22531	7.9
297.24167	13.6
298.24734	0.9
451.34271	1.3
626.39514	1.3
627.42407	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	626.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33545	6.1
55.05440	6.2
58.37755	6.4
59.04934	7.3
59.35386	5.3
67.05427	93.7
71.45567	5.5
79.05400	7.8
81.06971	31.7
83.08535	10.4
85.10887	5.4
93.06976	11.4
95.08508	12.0
109.10106	95.0
116.16264	6.9
123.43320	5.8
137.55380	5.7
141.67450	5.6
158.51080	6.5
173.11726	100.0
243.70453	6.6
244.68520	6.0
277.21445	7.0
343.11868	6.3
627.46429	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	627.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	2.6
55.01811	2.9
59.30978	1.9
59.73734	1.6
65.03863	10.4
65.83247	1.5
66.76430	1.7
67.05444	3.2
69.03360	2.3
69.07099	1.6
70.06518	6.6
71.01276	2.9
73.21922	1.6
76.56139	1.7
79.05400	3.2
81.06974	2.2
82.04137	2.3
85.02842	9.0
85.92030	1.7
90.95083	1.7
91.05429	15.7
93.03348	2.2
93.06961	2.1
95.01265	2.0
95.04897	17.2
96.09801	1.8
99.53133	1.7
102.04672	1.8
103.05422	19.9
105.03338	8.2
105.06974	7.2
107.04903	3.6
108.02092	2.1
109.06483	7.0
111.04392	8.5
115.05416	16.6
116.93764	1.8
117.06969	3.9
118.04129	7.1
119.04900	8.4
120.05724	2.5
123.04398	10.4
125.05946	7.3
131.04913	42.6
133.02850	15.2
133.06479	18.8
133.36128	1.6
134.03569	2.2
135.04402	2.8
137.05957	29.4
139.03911	2.9
140.04649	3.7
143.04907	3.6
145.02843	9.4
145.06499	9.1
146.03653	3.8
147.04355	16.4
148.05174	12.2
149.05968	4.1
151.03915	31.0
151.05022	4.1
151.07500	7.5
153.05444	17.3
154.06175	2.0
155.07024	4.1
159.04413	8.2
160.05203	11.7
160.99541	1.7
161.06029	13.8
163.07538	20.7
165.05432	34.1
166.06166	3.9
167.06979	10.9
171.06528	10.6
175.03847	2.3
175.07535	7.6
176.04640	21.6
177.05460	14.0
177.06735	1.7
179.03384	69.3
179.06927	2.7
180.07808	13.3
181.04936	100.0
182.05486	2.2
186.03011	2.1
189.05481	11.1
190.06198	2.8
191.07014	57.4
192.07294	2.2
193.04907	7.0
197.08217	2.0
201.05472	3.0
203.07056	6.3
207.06454	12.5
208.07323	27.9
219.06560	11.3
225.07553	26.4
226.08339	12.7
247.05980	13.9
248.06737	2.3
277.06949	8.7
383.10980	2.7
401.12146	3.6
612.71655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02327	0.7
53.03888	0.9
54.42556	0.7
55.01808	4.8
55.05445	0.8
64.33078	0.7
65.03862	10.5
67.05419	4.1
68.99715	0.9
69.03350	1.1
69.36507	0.7
71.01264	5.9
72.13792	0.8
78.04633	1.1
79.05417	6.9
81.03331	3.1
81.06968	3.4
82.04145	1.5
85.02818	6.1
89.03840	1.1
91.05408	15.3
93.03326	1.3
94.04146	0.9
95.01276	0.9
95.04894	12.4
97.02828	0.8
102.04627	1.6
103.05407	49.0
105.03343	9.6
105.04437	0.9
105.06973	7.9
106.04177	0.8
107.04906	9.7
108.02047	3.7
109.02825	1.0
109.06483	8.6
110.03611	4.9
111.04367	6.0
115.05397	11.5
117.03319	1.7
117.06929	5.4
118.04135	10.4
119.04913	9.1
120.05717	1.8
121.02821	1.0
121.06443	1.6
122.03587	4.7
123.04392	9.1
125.05952	6.2
127.07524	0.9
128.72951	0.7
130.04085	2.8
131.04893	47.5
131.05869	1.7
132.05656	2.8
133.02820	18.6
133.06461	16.3
135.04411	3.0
135.08023	3.8
136.05182	1.6
137.05962	24.5
138.03102	1.1
139.03876	3.0
140.04671	4.6
141.05441	3.9
142.02603	1.7
143.04922	4.1
145.02841	3.5
145.06465	8.3
146.03616	4.1
147.04401	9.5
148.05177	33.9
149.05968	5.9
151.03889	55.2
151.05008	5.9
151.07431	6.6
152.04622	0.9
153.05449	15.6
154.06277	4.2
155.07018	6.1
159.04420	3.6
160.05170	7.0
161.05936	9.5
162.06715	1.1
163.06142	1.7
163.07504	45.3
164.07880	0.7
165.05452	27.8
166.06209	6.3
167.06995	10.7
171.04405	1.2
171.06462	8.0
173.05939	7.9
175.04012	0.9
175.07512	7.1
176.04703	11.7
177.05467	10.2
179.03355	20.4
179.07021	4.1
180.04181	0.9
180.07779	16.4
181.04924	80.1
182.05479	1.7
183.06369	0.7
187.07495	1.0
189.05524	5.2
190.06233	1.5
191.07001	100.0
192.07336	3.5
193.04913	8.0
197.08011	1.3
201.05441	1.2
203.06973	6.0
205.06548	2.9
205.08577	1.1
207.06465	11.4
208.07265	28.6
209.08002	2.7
211.07501	1.3
217.04933	1.2
217.08447	1.0
219.06485	5.0
224.07988	0.8
225.07542	25.1
226.08284	13.8
233.05992	1.7
233.08134	1.2
235.07472	1.5
237.09000	1.8
239.07021	1.0
240.07680	1.1
241.08476	1.0
247.05923	1.6
247.09544	2.5
249.05284	1.1
249.07425	2.7
256.07230	1.6
257.07901	1.4
263.06857	1.1
265.08536	0.9
271.09738	1.0
277.06952	3.8
279.09937	0.9
297.07272	0.9
299.09189	5.4
343.12036	1.2
369.09515	1.4
383.11157	1.6
401.12360	6.7
519.49994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68589	0.4
55.05456	0.4
57.44933	0.4
67.05381	0.6
77.87740	0.4
87.02846	0.4
89.76372	0.5
92.10260	1.0
105.07063	0.4
203.05263	5.4
235.86160	0.6
238.33340	0.6
315.73694	0.5
324.94043	0.5
333.17459	1.0
447.27081	16.4
465.28061	16.4
475.22708	0.6
551.21649	0.6
627.33356	100.0
628.33649	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	627.3346
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
51.77180	0.5
56.96496	6.0
67.05421	0.6
69.06952	0.6
72.12312	0.5
113.14245	0.6
116.07028	0.7
119.01962	0.6
138.91295	0.6
157.79897	0.7
203.05270	5.5
227.09622	0.7
236.19008	0.6
245.10901	0.7
279.12640	1.1
293.14377	1.2
297.13770	1.4
309.13651	0.8
333.17294	11.0
351.18228	7.1
400.57205	0.6
418.29855	0.7
447.27066	15.6
464.85229	0.6
465.28171	19.2
466.28397	0.7
627.33331	100.0
628.33813	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	627.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35080	1.1
52.62729	1.0
55.05445	2.0
57.06992	1.3
60.05566	2.1
67.05425	2.8
69.06979	2.2
79.05410	1.4
81.06990	1.6
85.29313	1.1
90.27920	1.2
91.05733	2.4
95.08500	1.4
132.86035	1.3
206.99245	1.4
277.72305	1.5
294.21527	1.4
295.84064	1.4
627.40387	100.0
628.40759	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	627.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	0.8
55.05447	7.8
57.03374	1.3
57.06992	0.7
59.04933	0.9
67.05431	24.5
68.05777	1.4
69.06981	4.7
71.04913	0.8
71.08546	3.0
71.78189	0.6
73.20983	0.6
79.05415	6.0
80.71027	0.6
81.06973	18.6
82.07312	0.8
83.08530	4.9
85.06455	0.8
89.03197	0.6
89.05973	3.0
91.05424	3.2
93.06960	6.1
93.59078	0.7
93.99754	0.7
94.07308	1.0
95.04988	0.9
95.08550	11.4
96.08879	0.8
97.10101	2.4
99.05470	0.6
105.06998	1.2
107.08551	4.1
109.10109	12.7
110.10458	1.4
111.01472	0.8
119.08579	2.7
121.10140	0.9
123.11685	1.6
125.09676	0.7
131.08556	0.9
133.08612	1.3
133.10139	1.1
134.98180	1.1
135.11641	2.5
137.13284	1.0
147.11696	0.9
149.13235	0.8
150.26610	0.6
151.11234	1.1
161.75183	0.6
162.13672	0.6
173.11725	6.4
277.21649	3.6
279.23288	4.2
280.23550	1.5
292.39172	0.7
295.22806	3.3
296.22989	0.7
310.05057	0.7
317.20941	4.2
325.21109	1.3
333.20364	2.9
372.34335	0.7
415.24979	0.7
515.37128	4.0
541.35046	1.1
609.41748	1.3
627.42322	100.0
628.42786	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	0.6
57.07011	8.8
58.06518	1.8
64.96916	0.4
70.06145	0.8
70.06511	19.0
70.82226	0.4
71.08551	3.9
74.40277	0.4
82.13574	0.4
84.08077	0.4
85.10085	0.9
88.07557	23.3
91.42834	0.4
92.95111	0.3
102.09117	16.5
132.10190	0.5
147.04305	0.5
167.30022	0.4
177.05528	0.6
212.23718	0.5
256.26300	43.7
257.26672	2.2
263.71857	0.4
274.27298	7.0
300.29041	3.2
318.29965	100.0
319.30368	5.1
334.42221	0.4
555.88519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	13.1
55.01814	11.9
56.04972	1.1
56.40810	0.7
57.03372	10.4
61.02852	11.0
65.03844	1.0
68.99709	4.6
69.03345	45.1
70.06496	6.1
71.04891	6.3
72.08089	2.0
73.02828	9.0
75.56236	0.7
81.03331	45.5
83.01269	1.0
84.04427	4.2
84.08055	1.8
85.02824	100.0
86.03200	1.0
86.09620	1.0
87.00748	42.4
87.04380	1.0
91.03873	1.8
91.05429	1.2
92.10262	1.5
95.01279	0.9
95.04900	6.6
97.02817	38.1
99.04383	18.1
99.33200	0.8
103.03846	1.6
105.01808	30.1
108.04404	1.2
109.02828	38.2
110.07120	1.6
111.04401	1.6
115.03880	1.1
117.01815	7.5
118.99754	0.8
119.04929	1.7
121.02869	3.2
123.04378	13.6
124.03936	1.1
125.02309	3.5
126.03100	5.5
127.03870	46.2
129.01779	1.8
136.07582	1.1
140.04666	4.0
141.05441	25.9
145.02885	1.6
145.04919	15.0
147.04361	1.9
151.03848	1.4
153.01820	4.9
154.02568	1.6
155.03362	0.9
155.07001	4.2
159.02829	13.9
162.05458	1.5
168.04131	9.3
169.04916	79.9
170.05458	5.8
171.02872	6.8
177.05452	4.9
181.04893	5.2
183.06479	23.0
186.05164	8.3
189.03879	1.6
193.04942	4.9
201.07535	49.6
202.07872	1.0
207.06599	1.3
210.05266	3.3
211.05948	1.5
213.03923	4.5
225.07559	5.7
231.04922	9.4
237.03923	1.5
243.08624	4.1
249.05911	1.5
267.08591	3.9
291.08572	1.4
309.09668	3.2
497.41730	0.9
588.74335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	0.1
54.81128	0.1
55.05433	0.1
56.04982	0.1
57.06738	0.2
57.07011	5.5
58.06547	0.4
58.07341	0.1
60.41709	0.1
62.06013	0.2
69.14124	0.1
70.06510	9.4
71.08543	3.7
71.53809	0.1
72.08056	0.4
74.06007	0.2
86.05979	0.1
88.07553	15.9
89.07853	0.1
91.05416	0.4
91.23200	0.1
102.09110	3.9
104.26405	0.1
106.08609	8.4
117.03307	0.2
119.04877	0.9
145.02820	1.8
147.04385	3.1
148.04691	0.2
149.05960	0.1
156.17479	0.2
174.18471	1.3
177.05414	3.0
178.05688	0.1
200.20059	6.8
201.20506	0.2
218.21117	100.0
219.21474	3.9
220.82018	0.1
235.14354	0.4
248.12582	0.2
265.15411	0.2
345.97418	0.1
411.18884	0.7
422.17462	0.5
422.67795	1.0
423.17694	0.8
423.68097	0.3
430.66476	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	629.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68931	0.8
77.87966	0.9
81.06979	1.4
95.86240	1.0
163.61801	1.1
203.05264	6.0
280.33551	1.1
312.44946	1.0
411.47852	1.1
449.28613	13.4
467.29758	13.7
557.90948	1.3
629.34979	100.0
630.35156	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	629.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85505	1.6
54.55616	1.5
55.05447	7.7
55.24283	1.6
55.27127	1.5
57.07006	4.0
67.05426	9.4
69.06995	6.8
71.08549	2.6
79.05412	6.3
81.06979	11.9
83.08542	7.0
89.05962	11.5
91.05394	3.7
93.06933	6.4
95.08538	8.1
105.06969	2.1
107.08533	2.1
109.10121	2.1
114.33762	1.7
119.08568	2.7
121.10087	1.8
133.08609	2.1
133.10123	2.4
134.10368	1.9
147.11597	2.0
179.14163	1.7
247.12892	2.0
258.93570	2.1
284.29562	11.5
292.34726	2.2
317.20786	2.8
335.21893	30.4
368.56842	2.0
379.82773	1.9
415.25217	2.3
628.43799	2.2
629.43463	100.0
630.43884	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	629.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.8
57.06961	0.8
58.27382	0.7
60.12518	0.9
66.01163	0.7
67.05440	1.2
67.63198	0.9
69.06987	1.4
85.10067	0.8
89.05952	1.8
94.37543	0.9
104.19317	0.9
133.08557	1.0
224.27142	0.9
314.83093	1.2
356.39957	1.3
359.89377	0.9
587.24103	1.0
611.40350	2.2
629.41809	100.0
630.42108	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	629.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06970	2.3
60.05559	11.4
62.60590	1.9
63.03889	2.1
64.33356	2.2
75.84410	2.1
89.05930	9.1
133.08591	2.8
136.59421	2.6
138.41252	2.3
172.94044	2.7
248.94810	2.2
613.45953	2.5
629.42029	100.0
630.41797	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13757	0.5
56.00564	0.6
67.05438	0.6
70.77203	0.7
95.66241	0.5
97.88441	0.8
103.11797	0.7
131.16129	0.6
134.98569	0.6
137.00989	0.7
175.12178	0.7
206.60561	0.7
221.11427	5.6
241.93610	0.8
247.13029	10.5
263.12589	1.2
305.91647	0.7
317.20987	4.4
318.21796	1.0
333.20377	1.0
334.21182	2.6
335.21808	7.8
626.25415	0.9
629.43750	100.0
630.43939	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	629.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
74.62853	0.5
106.68060	0.5
135.77060	0.6
151.81160	0.6
219.48573	0.5
220.32048	0.5
317.20941	2.8
335.21893	5.0
432.71558	0.6
629.43719	100.0
630.43951	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	0.6
55.16275	0.4
60.01187	0.5
69.07008	0.6
89.05976	0.6
95.08495	0.6
98.99273	0.6
114.36905	0.6
173.34848	0.7
274.24475	0.6
317.20926	3.6
321.56244	0.5
335.21878	9.6
529.34906	1.3
629.43750	100.0
630.44098	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	629.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92958	0.4
81.06943	0.8
89.05968	0.6
109.10174	0.6
114.87369	0.5
125.64735	0.5
214.44510	0.5
317.20837	2.2
335.21838	2.4
489.31845	3.7
629.43768	100.0
630.44189	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	629.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07880	1.9
52.08479	1.7
52.75436	1.9
65.17728	2.0
66.30965	1.9
68.25442	1.9
89.05936	9.1
92.10182	4.8
92.98512	2.1
106.16936	2.3
189.07602	2.3
199.20058	2.1
213.72940	2.2
240.31560	2.2
249.14476	2.8
286.07440	2.5
349.23535	30.9
386.82291	2.5
629.47327	100.0
630.47809	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	630.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.4
53.44587	0.4
54.81441	0.4
58.26458	0.3
65.03871	0.6
67.05431	0.6
69.03350	2.5
70.06512	2.1
72.08070	1.7
73.02825	0.5
79.05407	2.6
81.03339	0.6
84.08081	0.8
85.02829	1.8
86.09624	0.8
91.05401	0.8
95.04930	0.6
97.02829	100.0
98.03201	0.9
99.04407	0.9
105.06991	0.7
107.04909	3.9
109.02830	0.5
110.03651	0.7
110.07079	0.5
114.78204	0.4
117.03304	0.6
119.04890	1.0
121.02805	0.6
124.05241	0.5
125.05977	0.6
127.42801	0.4
133.06511	0.8
133.10130	0.6
137.05978	0.5
145.02841	2.3
146.05977	1.0
147.04411	6.1
149.05984	0.5
151.03922	2.7
153.05420	0.8
159.16841	0.4
161.05968	2.7
162.05440	4.7
163.03952	0.8
165.05458	3.0
168.04147	0.5
171.06529	2.2
177.05444	4.2
177.58722	0.5
181.04924	26.7
189.05528	0.5
193.05016	1.9
193.08609	0.4
211.05988	24.5
221.08168	2.2
233.08183	0.7
249.07564	4.7
277.07007	8.3
295.08102	4.3
313.09225	2.0
567.16278	0.5
630.29773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.8
54.81192	1.2
55.05438	1.3
60.35870	1.4
68.71837	1.3
69.03347	5.6
70.06503	9.9
70.83620	1.2
72.08077	10.4
79.05403	2.1
81.03325	7.3
84.04440	3.0
84.08051	3.6
85.02818	7.3
91.05422	2.6
92.10924	1.7
97.02821	100.0
99.04389	2.0
107.04888	3.5
109.02845	2.6
110.07098	1.6
117.03310	3.6
119.04885	6.2
127.03893	2.2
145.02792	10.8
146.05965	10.3
147.04390	26.8
151.03859	9.2
161.05956	2.2
162.05429	15.4
163.03874	2.2
165.05429	1.8
168.31310	1.8
172.03906	1.6
177.05380	17.3
179.99448	1.8
181.04892	30.9
189.05652	1.7
193.04866	2.6
201.05330	6.5
204.10159	6.7
207.06441	1.9
211.05972	35.2
221.07977	2.1
221.97012	1.5
234.11301	1.7
241.02940	1.6
242.53946	1.4
249.07576	3.7
256.05637	2.0
263.06808	3.0
277.06946	10.8
282.03015	1.9
291.06613	2.5
295.08011	7.5
310.64301	1.6
313.08997	2.2
323.09039	8.9
439.18323	8.6
556.47845	1.6
561.94165	1.7
630.29584	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	630.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91235	0.3
55.05454	0.4
58.06524	0.6
60.57415	0.3
63.63791	0.4
64.83660	0.4
65.34536	0.4
65.39177	0.3
66.68316	0.3
70.06502	2.3
72.08073	33.2
84.08073	3.7
91.05407	12.2
91.50742	0.4
95.04893	0.6
107.04926	3.3
109.02842	0.7
110.09651	0.9
112.11195	4.9
113.07094	4.6
117.06925	0.5
119.04897	27.3
127.08620	1.9
129.13840	0.8
137.05931	1.9
145.02802	2.0
145.06487	0.6
146.06039	0.5
147.04391	100.0
148.04822	0.6
150.06740	0.4
155.11761	18.7
160.05182	0.6
161.05988	0.7
162.05440	1.9
171.04295	0.5
172.14430	5.2
176.10706	1.7
177.05414	1.7
179.08470	0.7
186.05347	0.6
189.05438	0.7
198.12415	0.6
203.11772	1.7
204.10184	20.6
204.12018	0.8
205.06519	2.4
207.08061	3.9
217.04744	0.5
218.08060	0.7
218.11722	2.1
221.05869	0.5
233.05888	4.7
234.06802	2.1
235.07483	5.3
246.11168	1.9
246.14871	0.8
250.06259	2.7
251.06882	0.5
252.07797	0.6
256.05789	0.5
261.05469	4.9
262.06097	1.0
263.06955	1.0
264.04013	0.7
265.08533	2.0
267.10086	2.8
274.10779	3.4
275.17447	2.5
277.08533	3.5
278.05734	5.4
279.06396	1.9
288.04257	0.4
289.04834	4.2
292.20059	5.7
293.08029	13.5
295.09479	3.9
301.15387	0.7
311.08893	0.5
318.18091	5.0
321.07507	12.5
339.08636	3.1
345.18192	0.7
352.15576	0.7
362.20642	0.5
378.13333	2.6
395.16190	0.8
396.14389	6.8
413.17026	0.9
466.23291	2.5
467.21628	2.5
484.24344	11.4
508.24124	5.4
586.29144	0.6
612.27014	1.6
613.25439	0.8
630.28009	25.5
631.27991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37889	0.3
52.06706	0.3
55.01814	0.4
56.04962	0.5
63.02297	0.5
65.03854	0.9
69.03334	1.8
70.06490	2.8
72.08067	26.2
76.80904	0.4
81.03311	1.8
81.06948	0.6
84.04431	0.6
84.08047	2.7
85.02823	1.6
86.09608	0.5
86.87400	0.4
89.03838	8.1
91.05401	7.6
95.04874	0.4
97.02820	91.4
98.03139	2.3
98.57764	0.4
99.04385	0.5
107.04890	0.9
109.02826	1.0
109.06438	0.5
110.07133	0.9
112.11179	2.4
117.03327	26.3
118.03625	0.7
119.04891	20.2
119.05754	0.7
121.02791	0.6
127.03862	2.2
129.10178	0.5
129.13837	1.6
130.06462	0.7
131.04883	0.4
131.26547	0.4
134.03590	1.0
135.04395	3.2
137.05960	0.5
141.05426	0.5
145.02820	83.6
146.03178	2.4
146.16498	0.6
147.04382	100.0
148.04742	3.0
149.05949	9.2
151.03879	22.5
151.04979	1.5
155.11731	1.0
162.05428	5.6
163.03854	4.4
177.05429	98.2
178.05801	3.4
181.04918	7.2
186.05406	0.6
191.07034	0.4
203.11723	4.9
204.10162	46.0
205.10542	2.1
219.06555	1.6
233.12836	1.7
234.11200	20.0
235.11479	1.0
237.02902	0.6
242.46078	0.4
247.05940	6.4
248.12791	2.5
265.06970	12.9
274.19067	2.4
275.17551	2.5
283.08041	1.8
292.20261	2.2
304.20142	0.8
305.18555	2.1
322.21185	2.6
353.53772	0.4
366.15265	1.7
379.65421	0.4
383.18069	0.8
436.24274	1.7
437.22760	2.2
454.25351	11.7
455.25546	0.7
467.23822	0.5
468.24811	6.9
484.26477	6.5
596.19543	0.4
613.27283	0.7
630.30090	58.5
631.30469	6.8
651.46344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80768	0.4
55.05442	2.2
56.04983	0.6
61.14595	0.4
64.33520	0.4
67.05420	0.6
72.08073	12.8
74.14671	0.4
83.06020	7.0
83.14627	0.5
86.09592	0.6
93.04454	5.8
95.05998	0.7
109.70258	0.4
110.07119	100.0
111.07494	0.5
132.56311	0.4
138.06604	1.1
140.50597	0.5
156.07689	3.9
160.00612	0.4
164.04605	0.5
165.56015	0.4
166.06111	0.6
178.13380	2.6
204.71481	0.5
220.10809	0.7
223.15515	3.4
245.58386	0.5
251.14963	3.8
255.71017	0.5
269.16061	15.6
499.36298	4.4
532.74860	0.5
612.44525	0.8
619.52979	0.5
630.45764	16.6
631.45374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80768	0.4
55.05442	2.2
56.04983	0.6
61.14595	0.4
64.33520	0.4
67.05420	0.6
72.08073	12.8
74.14671	0.4
83.06020	7.0
83.14627	0.5
86.09592	0.6
93.04454	5.8
95.05998	0.7
109.70258	0.4
110.07119	100.0
111.07494	0.5
132.56311	0.4
138.06604	1.1
140.50597	0.5
156.07689	3.9
160.00612	0.4
164.04605	0.5
165.56015	0.4
166.06111	0.6
178.13380	2.6
204.71481	0.5
220.10809	0.7
223.15515	3.4
245.58386	0.5
251.14963	3.8
255.71017	0.5
269.16061	15.6
499.36298	4.4
532.74860	0.5
612.44525	0.8
619.52979	0.5
630.45764	16.6
631.45374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67025	2.1
52.86127	1.8
55.05431	3.4
56.01096	1.6
57.07017	54.5
64.60123	2.2
71.08564	27.5
73.06458	5.5
81.06994	2.4
81.71818	2.3
81.91819	2.0
85.10110	18.3
85.80148	2.3
87.04390	9.3
89.05965	100.0
92.85082	2.1
98.83801	2.1
99.11644	3.7
103.33928	1.9
107.07038	8.8
133.08583	34.1
155.17937	2.6
170.66164	2.3
177.11195	16.8
234.96329	2.5
239.14760	2.4
243.23050	4.0
247.88589	2.1
283.17416	2.7
287.25739	3.5
358.17929	2.3
613.44757	10.3
630.36145	4.4
630.46503	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	631.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	16.3
65.91043	2.2
66.16953	2.3
69.03333	3.3
70.06489	12.8
70.24619	2.3
72.08063	72.6
73.02831	2.2
79.76909	2.6
85.02808	4.4
98.05968	43.9
115.08652	31.5
117.03254	2.8
134.29530	2.6
137.05922	17.3
139.18666	2.9
145.02817	23.5
146.03223	5.1
147.65796	2.5
149.05952	2.5
151.03844	6.3
162.05377	4.3
177.05441	48.2
178.05872	8.4
201.05444	16.7
205.06384	4.3
206.11694	3.6
222.06715	5.0
233.05750	3.3
234.06873	3.7
235.07462	16.0
237.09073	15.5
250.06203	5.8
263.06894	28.5
264.07535	5.5
265.04916	10.0
265.08426	25.8
265.15280	6.0
266.15585	3.8
280.07245	16.7
291.06360	20.2
292.07169	5.2
293.04227	14.5
297.11084	4.0
307.09476	3.1
308.06686	48.5
311.58627	2.9
319.05878	5.8
323.09079	100.0
325.10526	10.6
336.06088	5.5
351.08569	75.6
384.76892	3.1
407.71414	2.8
433.83264	3.2
439.18524	26.3
525.13617	9.6
614.21631	3.8
631.24982	50.4
632.23901	3.0
639.29260	3.2
651.09406	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	631.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54352	0.3
56.60355	0.3
104.51302	0.4
115.86356	0.4
177.05409	0.5
285.04541	0.4
301.07550	5.5
353.22916	100.0
354.23233	2.6
392.35944	0.4
488.47372	0.4
505.11429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03333	0.2
56.96501	19.1
58.85965	0.2
71.95177	1.9
72.95958	1.2
73.90618	0.2
74.97530	1.7
84.95952	0.8
92.10205	0.5
92.98563	0.9
97.96719	0.7
98.97510	0.4
110.96856	0.2
110.97572	0.9
112.32693	0.2
115.97798	1.3
116.98557	0.5
123.01134	1.0
128.98566	4.9
133.98828	1.3
134.99657	0.4
137.02730	0.4
141.02257	0.3
146.99628	8.7
152.00012	0.3
153.00407	0.2
155.03755	1.3
161.01187	1.7
161.04863	0.3
165.00679	3.7
167.03886	0.2
169.05383	0.9
171.03258	0.4
175.02670	0.8
179.02197	0.4
189.04274	2.1
190.05055	0.3
193.03783	0.3
194.04605	0.3
199.06337	0.2
203.05916	1.4
205.07452	0.5
207.05348	0.3
208.06190	0.4
211.06395	0.3
213.08018	0.3
217.07437	1.0
222.07651	0.4
223.08359	0.4
235.06395	0.3
243.08971	0.4
249.07794	0.3
253.07703	0.2
263.09555	2.1
263.12079	0.3
265.11191	0.4
267.09161	0.3
277.11011	2.3
278.11890	0.9
281.10638	0.5
291.12476	0.4
292.13422	0.3
295.12149	1.1
296.12845	0.8
305.13998	0.2
309.13617	0.4
315.16330	0.2
317.17761	22.5
318.18164	1.4
320.50388	0.2
333.17215	3.1
335.18869	100.0
336.19156	3.5
353.19916	37.4
354.20322	1.4
358.20422	6.3
371.20996	0.5
376.21390	1.7
450.28101	0.2
595.40234	5.6
613.41315	0.3
642.97028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81750	0.5
56.96427	32.6
56.96738	4.8
59.74969	0.4
69.06903	0.6
71.95096	3.3
72.95883	0.5
74.97450	2.5
81.06841	0.4
84.95890	0.7
89.57613	0.4
91.75661	0.4
92.98486	1.0
95.08429	0.5
98.97463	0.5
110.97484	0.9
115.97691	0.9
116.98474	1.8
123.01098	0.5
128.98465	3.0
132.09126	0.5
133.01578	0.4
133.98747	1.9
134.99507	1.9
141.02177	0.6
146.99626	10.1
147.03252	0.9
151.02917	0.4
155.03690	2.0
159.03229	0.9
161.01100	2.4
161.04802	0.5
165.00662	4.1
169.05336	0.6
171.03172	2.3
171.31398	0.4
173.04755	1.9
178.57870	0.5
183.06731	0.6
185.04716	2.0
187.02654	0.8
187.06340	1.0
189.04295	4.3
191.05740	2.1
192.74068	0.5
195.06786	2.0
197.04778	0.7
199.02658	2.8
199.06316	3.2
201.07846	1.8
202.05133	0.9
203.05879	8.0
205.07416	1.1
207.05434	0.6
208.05994	0.5
211.06302	0.9
213.04413	0.6
213.07950	15.3
215.05783	1.7
215.09473	0.8
216.06609	2.0
217.03731	1.9
217.07446	7.9
217.11023	0.9
219.08945	2.9
221.06860	1.9
225.04260	0.6
227.05794	0.6
227.09518	0.6
229.07433	8.6
229.10977	1.6
231.05293	1.0
231.08992	41.1
231.39815	0.6
232.09435	0.7
236.09616	0.6
241.07474	3.7
243.08919	2.8
245.10501	0.9
247.08470	10.7
249.09955	0.6
254.10583	0.9
255.08885	0.7
259.08432	4.1
259.12039	0.7
261.10049	3.9
270.10004	0.5
273.10028	0.7
287.11655	0.6
297.17221	0.7
305.17712	1.0
309.17151	0.6
317.17819	4.7
323.18799	6.6
335.18845	55.2
336.19241	2.1
353.19922	100.0
354.20184	4.8
371.20944	10.2
376.21497	10.0
446.71255	0.6
476.48517	0.5
508.67685	0.5
631.42572	24.2
632.42816	2.6
637.55530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	43.4
71.95197	3.8
72.95956	1.6
74.97543	1.0
75.32865	1.0
89.24786	0.9
137.02658	1.1
146.99615	1.3
155.03789	5.5
167.03719	1.3
183.06917	1.2
184.02470	1.3
185.04964	1.1
189.07916	1.8
203.09489	1.3
207.09096	1.7
213.07965	4.2
217.07475	1.8
227.09473	1.6
231.09016	6.5
234.97377	1.1
235.10019	1.3
239.09465	10.3
241.11064	5.1
243.09010	1.8
245.10515	7.1
251.09579	1.4
253.11070	15.8
257.10562	13.7
259.12216	12.8
269.10562	7.9
271.12103	16.2
287.11588	6.0
317.17865	1.9
323.18823	6.7
335.18900	25.2
353.19928	100.0
354.20157	1.9
371.21024	15.5
376.21387	6.6
487.78848	1.0
631.42499	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22071	3.3
62.45574	3.3
67.05444	3.8
81.06967	3.8
83.29185	3.0
92.10185	5.0
93.34339	3.5
93.44786	3.7
95.08630	3.8
103.41354	3.4
140.09280	3.4
161.01875	3.2
386.01727	3.7
395.09302	3.7
424.50241	4.4
525.71240	4.7
630.43298	5.3
631.43304	100.0
632.42926	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	631.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56651	5.0
62.93849	4.8
64.33898	4.8
92.10880	7.0
115.72994	4.8
134.27745	5.8
154.25969	5.7
260.88647	5.7
283.75241	5.9
350.87973	5.4
631.43201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	5.8
58.90549	4.2
64.53953	5.4
67.05416	8.8
91.27773	4.6
91.29686	4.8
91.75771	4.5
95.17886	4.7
144.40289	4.5
248.99055	5.6
277.76978	4.4
445.32138	5.3
630.42383	8.3
631.43280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	4.5
59.26031	3.3
60.24012	4.1
67.05438	5.9
81.06979	8.0
93.06967	5.8
95.08561	6.1
96.03644	4.1
97.24535	4.2
107.08526	4.4
118.99988	3.9
121.57539	4.5
124.96089	3.7
216.05618	4.3
243.90421	4.1
266.40472	3.8
316.95816	4.2
351.21362	5.6
354.27609	4.4
439.09415	4.2
611.67865	4.5
630.44122	17.8
631.43201	100.0
632.43268	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	631.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81928	1.1
60.12815	1.0
63.41272	1.1
74.20805	1.2
76.34610	1.3
87.91222	1.2
141.52522	1.2
195.09869	12.5
202.85184	1.3
217.51938	1.5
319.22311	14.4
335.21866	32.9
335.25653	1.9
515.13428	1.4
543.61792	1.6
564.09344	1.6
613.44269	6.9
631.45258	100.0
632.45648	7.8
642.44464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56898	0.9
59.83694	0.8
61.44062	1.1
61.61522	0.9
67.05428	1.4
69.06968	1.1
78.11198	0.9
81.06992	1.6
84.79323	0.9
89.05980	2.2
89.96370	1.0
195.09921	5.4
303.33044	1.2
319.22388	18.0
335.21835	27.5
352.41669	1.3
353.22864	13.5
447.01758	1.3
511.56464	1.2
556.68396	1.2
613.44049	5.3
631.45251	100.0
632.45605	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	631.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12399	0.7
67.05428	2.7
69.07014	0.6
81.06996	0.9
92.10261	1.9
105.28528	0.7
109.10113	1.1
126.20625	0.8
195.09875	8.2
250.61876	0.7
310.78314	0.7
319.22360	37.6
320.22919	1.0
335.21878	29.0
336.22275	1.4
362.50571	0.7
630.44263	4.0
631.45282	100.0
632.45630	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	633.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	1.1
70.06496	5.0
72.08068	12.7
76.02129	0.7
81.03331	0.6
83.02257	0.6
84.04405	0.8
84.08078	0.6
86.09621	0.8
86.38938	0.6
89.03833	13.5
89.10720	0.6
91.05402	3.1
95.04917	0.7
98.06016	0.9
106.94619	0.6
107.04946	0.9
115.05368	0.7
117.03329	42.3
119.04880	2.9
134.03596	3.9
135.04401	4.1
145.02824	100.0
146.03090	1.1
146.06075	1.0
147.04367	5.7
149.05962	17.3
150.25209	0.6
158.05963	0.9
160.05179	0.7
162.05518	1.0
163.03824	0.8
175.07547	1.0
177.05434	94.4
186.05409	2.5
201.05357	9.5
205.06500	0.7
222.06651	1.3
233.05920	0.7
235.07390	0.8
237.08958	4.7
241.03670	1.2
256.05991	6.6
263.06952	2.4
265.08612	4.2
265.15494	1.4
286.07074	0.7
291.06479	4.3
291.13248	1.1
298.10748	1.0
314.86450	0.7
323.09052	6.4
341.10986	1.3
394.16284	0.8
413.20178	0.9
422.15826	3.2
439.13101	1.1
439.18585	19.3
440.18613	0.8
457.19733	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	633.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.2
54.81695	0.2
55.36728	0.2
63.02286	0.5
65.03852	0.3
69.03337	0.9
70.06494	0.9
72.07672	0.2
72.08067	6.3
76.39855	0.2
77.03806	0.2
77.91637	0.2
78.04628	0.3
81.03340	3.3
85.02822	0.4
89.03310	0.3
89.03835	8.0
89.10715	3.2
91.05404	13.4
95.04885	0.3
98.05951	0.5
103.05383	0.8
105.03310	0.2
107.04768	0.2
109.02815	1.3
114.09093	0.2
115.08596	0.2
117.03325	32.4
118.03622	0.2
119.04892	24.6
120.05256	0.4
124.05117	0.3
127.03781	0.3
129.03317	0.3
131.04860	0.3
132.02016	1.1
134.03586	2.3
135.04385	2.8
139.12761	0.2
145.02820	96.9
146.03127	1.2
146.05966	1.2
147.04387	21.9
148.04756	0.3
148.98343	0.2
149.05946	12.5
157.03983	1.9
162.03064	0.4
162.05484	0.4
163.03854	1.1
164.04544	0.4
174.82927	0.2
175.03871	36.7
176.04239	0.9
177.05429	100.0
178.05756	2.3
179.06978	1.6
186.05464	1.1
192.04128	0.4
207.06490	53.2
208.06876	0.9
225.07481	0.3
246.11069	0.3
248.12798	5.2
265.15393	24.9
266.15845	0.4
268.92352	0.2
307.16406	0.3
351.10672	2.7
369.11710	3.0
427.20630	0.3
520.30518	0.2
553.63483	0.2
562.65442	0.2
596.81366	0.2
616.23914	0.5
633.26373	15.8
634.26819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43401	0.8
51.69408	0.6
55.01772	0.6
67.05414	0.8
68.80987	0.9
70.06506	1.0
72.08082	1.4
79.05392	3.8
89.03815	1.1
90.25415	0.7
91.05390	1.8
92.10287	3.8
95.04856	3.1
103.05379	1.4
105.06957	4.9
107.04896	9.9
115.05400	1.7
116.06180	1.5
116.82495	0.8
117.03341	7.0
119.04867	3.5
124.05179	1.9
124.25886	0.8
125.05943	1.3
127.05343	1.4
128.06149	1.4
129.06950	1.9
131.04874	1.3
132.05673	1.7
133.06430	4.1
137.05991	1.1
141.06921	1.5
143.04912	0.9
144.05676	12.2
145.01883	1.1
145.02832	19.0
145.06461	1.8
147.04355	3.6
149.05917	3.5
151.11002	1.1
153.05460	1.7
155.04874	26.8
155.06111	1.2
157.06467	1.5
159.04388	1.0
159.07997	5.0
161.05888	1.5
167.06998	24.2
169.06458	1.3
171.06483	1.1
172.05153	15.5
177.05421	14.2
178.06055	1.1
179.06937	3.2
181.04915	31.8
183.04356	20.8
184.05063	3.4
184.07487	0.8
187.07495	31.1
193.08534	1.9
194.09332	7.8
199.03793	0.9
200.04649	36.2
201.05019	1.4
202.07640	1.2
203.08540	1.5
205.06296	1.2
207.06471	4.2
215.06984	100.0
216.07339	4.6
218.94055	0.8
221.09489	0.8
229.06410	1.0
231.07971	4.4
233.05934	1.0
234.06676	4.6
235.07477	1.2
245.05919	1.1
248.08241	1.8
249.09001	3.4
250.09569	0.9
258.06686	3.7
258.41196	1.0
259.07458	10.9
260.08075	0.8
262.06116	4.0
263.06995	1.1
265.08176	1.1
265.15363	0.9
266.09073	1.1
273.05310	1.5
275.06784	0.7
276.07703	4.7
277.08359	4.9
279.06461	1.7
279.15741	0.9
287.06937	5.2
289.04724	1.5
290.05539	1.7
291.09967	2.7
291.12949	1.2
293.08029	1.0
294.08832	1.4
295.09689	0.9
304.07095	1.9
305.07825	1.2
309.11142	3.9
319.09540	18.3
322.07962	1.3
337.10602	1.8
339.08591	1.4
351.12225	6.4
368.11646	1.0
369.13235	71.1
370.13394	5.8
457.23303	8.9
548.59729	1.1
633.28076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.47
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43758	0.5
67.05434	0.8
83.08566	0.7
86.18301	0.6
95.08540	0.8
97.28741	0.5
124.41682	0.5
214.01343	0.6
216.53609	0.6
221.11320	1.0
321.23944	1.2
335.21796	6.2
339.24741	0.7
420.27887	0.7
454.04175	0.7
617.53271	0.7
632.45673	2.7
633.46973	100.0
634.47589	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	633.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03845	1.6
82.90965	1.7
83.71179	1.8
97.50532	1.6
99.94213	2.3
138.74518	1.8
269.91782	1.8
273.98441	1.9
321.23984	18.0
335.21860	16.4
633.46875	100.0
634.47009	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	633.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03845	1.6
82.90965	1.7
83.71179	1.8
97.50532	1.6
99.94213	2.3
138.74518	1.8
269.91782	1.8
273.98441	1.9
321.23984	18.0
335.21860	16.4
633.46875	100.0
634.47009	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	634.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	5.8
55.05440	19.1
56.04971	4.4
57.06995	3.2
58.20218	3.2
58.99510	15.4
59.04920	3.2
59.63330	2.8
67.05434	46.3
68.52146	3.0
69.06963	15.0
69.53143	2.6
70.06504	3.8
71.04895	4.6
71.08517	3.0
73.91075	3.3
74.00563	5.6
76.02139	40.3
76.03902	7.4
78.11909	3.0
79.05383	20.6
80.04917	7.0
81.03331	7.2
81.06967	26.7
83.06026	5.9
83.08537	7.0
84.04427	52.6
85.01014	4.2
85.02809	4.9
86.00558	47.1
86.98985	6.8
88.02127	4.3
89.03841	4.1
91.05421	25.9
92.10236	6.6
92.23622	3.1
93.06947	17.8
95.04884	15.0
95.08512	22.4
97.01047	4.9
97.02791	4.3
97.10094	3.8
98.00565	4.3
99.05511	4.9
100.02078	13.9
102.05480	4.5
103.05434	3.6
105.06973	8.2
107.04877	4.9
107.08537	6.4
109.07574	5.8
109.10098	39.5
112.02139	28.5
112.02830	3.2
112.03943	3.3
113.00533	7.0
114.03673	5.2
116.01633	29.0
117.03284	6.8
117.06955	4.9
119.04939	4.7
119.08514	8.1
121.10101	5.5
123.28715	3.4
124.02161	3.6
130.04958	14.6
135.11681	3.6
137.09561	7.5
140.01593	6.8
142.03171	18.3
143.02722	48.2
144.01106	4.6
145.02855	7.3
147.04405	8.3
151.11148	18.2
155.08034	6.2
162.02122	15.7
163.11171	4.1
166.03154	6.8
169.04109	3.8
171.02255	7.1
173.11642	4.8
177.05426	15.1
179.04787	18.6
185.03722	5.5
189.03242	100.0
193.08101	3.9
231.04335	4.0
233.05885	7.2
241.08842	12.0
250.12424	6.9
266.12024	8.0
277.21518	5.1
278.11993	5.6
283.58542	3.5
284.33011	3.5
295.22571	19.0
296.12991	6.4
348.19803	4.0
366.20749	5.7
369.14920	4.3
441.16779	8.1
469.23480	17.3
516.19641	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81534	1.6
55.01812	3.5
55.05452	12.0
57.03371	1.5
58.99516	11.9
65.03852	1.9
67.05423	21.4
67.27087	1.4
69.06969	4.2
69.99398	1.6
70.06506	4.2
71.08543	4.3
72.08067	2.8
74.00560	2.3
76.01735	3.0
76.02136	49.4
76.03903	2.9
79.05402	12.3
81.03339	2.2
81.06973	10.1
83.06007	2.5
83.08523	7.8
84.04435	21.4
85.03951	3.1
86.09639	2.0
89.03816	2.5
91.05396	18.9
92.10311	2.1
93.06954	10.6
95.04848	2.0
95.08511	10.0
97.01080	2.4
97.06472	1.8
97.10085	3.2
98.06070	1.7
99.05508	2.5
99.08010	3.4
104.27925	1.6
107.04925	2.9
107.08504	9.0
109.02745	2.0
109.10098	11.0
111.02632	1.7
112.03874	2.3
116.01633	21.0
117.03334	13.4
119.04893	28.2
119.08521	3.3
125.09563	3.7
126.03684	9.5
130.04944	8.5
131.02916	1.6
135.07993	3.8
139.02170	1.9
139.05690	2.0
139.78308	1.7
141.82576	1.6
142.03189	3.5
144.01128	8.5
145.02794	32.5
145.06071	2.5
145.10022	2.1
146.03189	3.5
146.06009	3.4
147.04379	100.0
149.05962	3.6
150.12708	2.0
151.07445	3.0
151.11133	7.8
161.09607	2.5
162.02136	18.1
162.05391	2.1
165.09068	17.2
168.08376	3.5
170.09903	2.1
173.11656	1.7
174.88213	1.7
175.03894	3.9
177.03220	8.9
177.05408	33.6
178.05759	3.3
179.04765	18.9
181.04921	13.3
182.09969	2.2
184.11426	2.4
185.03764	6.4
193.12178	2.5
196.11597	2.0
207.06429	2.2
207.76132	1.8
212.10959	2.5
215.04678	1.9
220.11226	1.9
220.73306	1.8
231.04378	3.3
233.05913	8.6
235.07385	2.3
237.04657	1.8
256.05911	2.6
262.06015	2.3
263.20041	2.3
264.07581	4.1
265.04712	2.8
265.08478	2.2
266.12057	2.2
285.12579	8.7
291.19519	21.3
292.07083	2.3
307.09705	2.2
308.09558	13.6
309.07007	7.2
309.14084	2.0
309.20749	2.1
323.08963	11.5
323.16632	3.9
324.09531	12.4
348.19464	3.5
349.18204	3.8
351.08548	21.9
352.08862	17.0
366.20532	3.4
367.19156	4.2
371.11157	13.0
469.23398	10.8
483.40607	2.1
487.24582	57.0
504.75006	1.8
545.78857	1.9
616.27966	2.5
634.29706	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	634.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03862	3.3
55.01804	5.6
55.05449	19.8
56.53170	3.8
57.53342	3.3
58.99511	22.0
62.03603	4.1
67.05424	56.1
69.06979	28.0
71.04887	15.1
71.08523	8.6
74.00585	4.4
76.02143	69.9
76.55583	4.0
79.05399	26.2
81.03336	18.9
81.06976	38.8
83.08558	5.3
84.04430	31.5
85.02805	5.2
86.00587	8.7
91.05422	32.8
92.10922	16.6
93.06973	37.6
95.04902	18.6
95.08537	42.4
97.06447	8.4
99.08013	6.2
102.05467	4.3
102.15150	4.1
105.06964	8.8
107.08537	9.7
109.10104	39.3
112.02126	7.4
112.03793	4.3
116.01652	37.5
117.03329	9.7
119.04893	6.3
119.08521	19.9
121.10069	8.4
126.03701	5.9
130.04967	8.5
131.08484	5.8
133.10149	15.1
135.11638	5.9
137.09592	10.4
142.03206	18.4
143.02718	23.9
144.01138	6.9
145.02838	23.5
147.04391	22.9
151.11186	30.5
162.02121	31.6
173.11699	7.6
177.05437	18.9
179.04811	41.8
180.96666	4.7
189.03287	24.0
233.05907	16.3
245.49919	5.3
277.21600	44.0
295.22614	100.0
296.22910	7.8
308.09085	10.1
309.24228	18.4
327.25378	4.5
352.23090	7.5
402.26727	8.6
487.28198	8.2
505.29385	9.6
543.88702	4.6
564.90216	4.5
634.33258	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	634.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21204	0.5
58.35509	0.6
59.05758	1.1
59.06053	26.1
60.05577	100.0
64.69814	0.6
69.28749	0.5
84.29630	0.5
89.05970	0.7
92.10204	2.1
92.31670	0.7
97.89283	0.7
99.14933	0.6
104.39780	0.7
154.97560	0.6
291.81638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.7
61.02847	0.8
69.03337	1.9
72.66155	0.6
73.02810	0.7
73.06455	1.6
81.79269	0.9
82.02846	1.3
84.04423	3.2
84.08080	0.8
85.02821	7.0
86.05962	0.8
94.06486	4.6
97.02777	1.0
105.34607	0.7
116.98567	0.9
120.08038	0.8
127.03874	3.0
129.10179	1.0
130.06490	88.6
131.06831	1.8
132.04417	47.4
133.04836	1.0
142.06444	0.8
145.04932	1.4
147.09035	1.0
148.07547	3.4
157.07587	99.3
158.05981	100.0
159.06290	1.1
159.09172	3.0
170.30804	0.8
175.08626	96.2
176.07094	1.2
185.07059	4.6
186.05420	1.2
189.04013	0.9
203.08122	96.6
204.06525	3.4
204.08426	1.7
219.01784	0.8
221.09174	51.6
222.09552	0.9
227.06764	3.0
227.56833	0.9
237.02713	1.0
279.03699	1.4
392.02676	0.8
393.57059	0.9
401.20734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	1.0
55.01786	0.4
57.03359	0.4
57.19140	0.3
61.44590	0.3
64.19202	0.4
64.33322	0.4
69.03355	4.0
70.06470	0.3
71.04893	0.6
73.02846	0.5
73.08881	0.4
81.03335	6.1
84.58495	0.4
85.02821	5.9
87.04394	0.5
97.02811	4.1
99.04365	0.9
103.24229	0.5
107.78899	0.4
109.02827	10.2
114.89015	0.4
116.04924	0.5
123.40528	0.4
127.03852	5.5
134.05983	0.9
141.90134	0.4
144.04358	0.6
145.04878	0.9
146.06039	0.5
148.03889	0.9
162.05463	100.0
163.05829	1.7
177.05354	0.7
186.05354	0.8
190.04953	11.2
204.06490	3.0
208.06042	7.8
270.07504	2.0
298.07059	0.6
316.08081	4.8
319.00293	0.4
334.09109	4.2
352.10126	2.1
370.11304	1.0
478.13171	2.7
496.14249	0.7
514.15283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52473	0.5
53.03877	0.9
54.06095	0.5
56.04975	0.6
57.03361	1.0
69.03333	3.8
73.02839	0.6
77.83201	0.6
81.03333	9.5
85.02850	5.8
85.92180	0.6
97.02830	5.6
97.03401	0.6
99.04342	0.6
109.02839	12.5
127.03847	5.3
134.05937	1.0
144.04343	0.8
145.04926	1.1
148.03943	0.8
153.50426	0.6
162.05470	100.0
163.05769	3.7
186.05467	1.4
190.04973	14.0
204.06503	2.8
208.06000	3.4
270.07443	2.9
316.08151	6.1
334.09000	1.3
352.10144	3.6
370.11316	1.5
401.13449	0.7
478.03671	0.7
478.13351	11.7
510.94638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39470	0.3
63.02295	0.5
63.09051	0.3
66.54435	0.3
69.03331	0.3
70.06507	0.5
71.80309	0.3
75.31464	0.3
81.03334	0.4
85.02796	0.3
89.03838	6.2
91.05395	1.9
93.06955	0.8
95.04876	0.5
96.05227	0.3
101.36287	0.3
103.05394	0.8
109.02847	0.6
117.03320	20.7
119.04880	3.8
121.06450	6.8
134.03571	1.3
135.04378	2.2
137.05930	0.8
145.02817	70.0
146.03163	2.3
146.06001	4.3
147.04388	17.3
147.06204	0.6
148.04741	1.3
149.05962	8.9
159.06770	0.3
160.07524	6.5
162.02969	0.5
162.05437	1.5
163.03923	0.7
175.03937	1.4
177.05428	100.0
178.05751	2.5
186.05501	0.8
207.06458	0.5
266.03345	0.5
284.12772	2.9
352.62833	0.5
353.10519	0.5
353.14896	11.5
354.15051	0.5
545.73944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	0.3
55.01805	1.6
55.47418	0.2
55.83952	0.2
57.03370	2.1
60.58893	0.2
61.02564	0.4
61.02859	6.5
63.90804	0.2
64.47043	0.2
69.03349	6.4
69.03700	0.4
69.06986	0.4
73.02828	3.5
74.02357	0.3
81.03342	1.5
84.04407	0.3
85.02829	28.5
86.09630	100.0
87.05512	0.6
87.09967	1.5
91.03883	9.3
97.02827	10.0
99.04385	1.6
101.02327	1.2
109.02826	3.0
114.07097	0.2
115.03889	1.0
127.03877	15.1
132.04507	0.3
132.10172	35.8
133.06097	1.4
136.06190	0.3
137.04533	0.3
145.04942	11.5
145.06091	0.4
152.05693	0.5
153.68629	0.2
158.06046	0.5
162.05284	0.3
163.05988	13.1
163.69864	0.3
171.28419	0.3
175.08682	0.4
205.95013	0.2
227.06667	0.3
237.60231	0.3
276.14420	0.3
289.09146	0.3
294.15475	0.6
313.61935	0.3
325.11200	4.0
381.99188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.5
54.81203	0.4
55.01814	1.1
55.05225	0.7
55.05452	10.8
55.64466	0.5
56.04969	0.6
57.03362	1.2
57.07010	5.4
58.99522	5.7
59.04922	0.9
61.70059	0.4
67.05081	1.1
67.05427	25.9
67.20735	0.5
69.03345	2.5
69.06992	5.2
70.02864	0.6
71.04893	2.3
71.08181	0.7
71.08545	13.3
71.09148	0.5
74.00562	2.6
75.57040	0.4
76.02140	41.6
76.03910	2.8
79.05413	10.5
81.03331	13.9
81.06978	10.6
83.04906	8.7
83.06020	1.1
83.08536	6.7
84.04424	15.5
85.03941	2.0
85.06474	4.3
86.98963	1.0
91.05400	7.3
92.01600	0.7
93.06968	10.3
95.04890	18.3
95.08527	9.9
97.06464	2.4
97.10098	4.2
99.05530	0.8
99.08028	6.8
105.06972	4.7
107.04867	2.1
107.08546	4.4
109.06455	1.2
109.10101	21.2
110.10354	0.5
111.07996	1.8
112.03894	0.6
116.01621	11.2
117.06946	2.8
117.07772	0.5
119.08549	5.0
121.10081	2.4
125.09577	2.8
127.11131	0.8
129.06445	0.6
130.04961	9.1
131.08522	3.3
133.10097	3.4
135.08025	1.0
135.11656	1.0
137.09590	3.7
139.10103	0.9
139.11154	19.8
141.04790	0.6
141.09100	2.2
142.03139	3.9
144.01128	5.9
145.06155	0.8
145.10100	1.0
147.11717	0.7
148.71597	0.5
149.09607	2.7
149.13249	0.9
151.11151	100.0
152.11508	1.2
155.10664	1.2
157.10109	0.6
159.11685	3.5
161.09599	2.8
162.00816	0.8
162.02155	16.7
163.11148	2.4
165.12683	3.1
170.02676	0.9
173.11703	14.0
173.13158	1.1
177.03215	3.0
177.12677	7.8
179.04805	21.4
181.12093	0.6
185.03746	2.8
187.05315	1.7
187.11037	0.6
189.11185	0.7
191.14351	0.7
191.68896	0.5
192.41077	0.5
211.13075	0.6
231.04326	1.8
233.05833	6.2
245.05910	1.0
247.20491	1.0
257.18942	2.5
275.20013	6.3
290.08176	0.6
291.19559	0.6
293.21042	86.6
294.21405	4.1
297.08347	0.5
301.07098	0.6
308.09036	44.0
309.09274	0.8
355.94003	0.5
369.20642	0.7
386.23648	1.2
471.25037	1.1
489.26248	4.1
543.26740	0.7
552.62512	0.5
560.77277	0.6
618.30328	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	636.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	3.2
55.05233	0.5
55.05454	11.6
57.03368	1.5
57.07019	4.6
58.99523	6.2
59.04922	1.3
65.03862	0.6
66.59581	0.6
67.05084	1.0
67.05428	27.0
69.03334	2.7
69.06987	6.6
71.04897	2.8
71.08551	11.0
74.00562	3.8
76.02142	38.5
76.03917	2.4
79.05408	11.0
81.03339	16.2
81.06966	9.9
83.04894	11.2
83.06020	1.0
83.08532	6.1
83.20918	0.6
83.98240	0.5
84.04427	11.0
85.03929	3.5
85.06484	5.2
86.98972	1.3
91.05402	7.3
93.06963	10.4
95.04898	19.7
95.08527	9.5
97.06480	1.1
97.10094	3.5
99.05505	0.9
99.08018	6.7
105.06986	4.6
107.04906	2.7
107.08530	4.8
107.26859	0.7
109.06449	3.1
109.09401	1.1
109.10106	24.0
111.04413	0.8
111.08040	1.4
113.09571	0.7
116.01622	11.4
117.06951	1.3
119.08530	5.7
121.10079	1.5
123.08060	0.9
125.09573	3.7
130.04977	8.3
131.04492	0.9
131.08525	3.7
133.10065	3.5
133.29724	0.7
135.08023	0.9
137.09587	3.5
139.11156	21.8
141.09056	2.7
142.03172	5.5
144.01111	5.5
145.06053	0.7
145.10101	1.4
147.08122	0.8
147.11641	0.6
149.09579	1.2
149.13132	1.2
151.11159	100.0
152.11456	1.1
155.10658	2.5
157.01831	0.7
157.10097	0.9
159.11636	3.4
161.09599	3.5
162.02159	17.5
165.12666	2.8
170.02686	0.7
173.11700	12.8
173.13139	1.3
177.03204	4.4
177.12733	8.1
179.04828	18.2
179.10591	0.8
181.12144	0.8
185.03838	2.2
187.11177	0.9
189.11185	0.9
191.14243	1.0
193.12201	0.6
211.13257	0.8
231.04233	2.9
233.05801	5.5
237.03299	0.8
247.20506	0.7
249.44487	0.7
257.18823	1.1
275.19971	4.7
289.74500	0.7
291.19443	1.3
293.21051	82.5
294.21371	3.4
301.18045	0.6
308.09027	34.3
311.22006	0.9
350.21146	0.7
369.20758	1.2
386.23526	1.5
403.03812	0.6
471.24973	1.5
489.25919	4.5
543.26788	0.9
618.30450	5.3
632.03180	0.7
636.51001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	2.4
54.73884	0.4
55.01800	0.6
56.04972	0.5
57.03368	0.8
65.58752	0.4
69.03348	6.9
70.06500	3.0
71.04905	0.6
72.08051	1.9
73.02818	1.8
78.03379	6.4
81.03336	12.1
83.04875	0.5
84.04416	2.5
84.08075	1.1
85.02824	5.6
91.05407	1.1
92.10999	0.5
93.03383	0.5
96.04415	4.8
97.02823	7.6
98.05928	0.5
99.04370	2.0
106.02859	37.5
109.02831	10.3
110.07104	0.7
117.03303	0.8
119.04878	2.8
120.08037	0.5
120.56413	0.4
124.03910	67.6
125.04242	0.8
127.03866	5.1
129.10223	0.7
132.65013	0.5
134.05978	5.5
136.06140	1.0
137.04471	0.5
144.04425	1.8
145.02812	2.9
146.05994	2.1
147.04364	9.3
151.03874	0.6
162.05467	100.0
163.05806	3.7
167.07047	0.6
167.14125	0.4
177.05357	3.4
186.05522	0.8
190.04945	8.5
207.06461	0.5
208.05936	4.4
241.47162	0.5
250.07022	5.2
264.46698	0.5
268.08084	25.0
269.08401	0.7
270.07492	0.9
429.12888	5.9
430.13382	6.0
457.12286	1.8
475.13199	4.5
495.48999	0.5
517.14728	0.9
583.15430	0.8
601.16425	6.0
602.17365	0.7
619.17432	11.4
620.17200	0.5
637.18506	14.6
638.19446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02314	0.4
52.09184	0.3
52.59864	0.4
52.91450	0.3
53.03881	2.5
53.30550	0.3
55.01796	0.5
55.05447	0.6
57.03364	0.9
57.20016	0.4
69.03039	0.5
69.03352	5.7
70.06503	2.7
71.04903	0.9
72.08052	1.9
76.56010	0.3
78.03373	5.7
78.04621	0.5
80.04920	0.9
81.03339	9.6
84.04407	0.9
84.08052	0.5
85.02828	5.8
87.60046	0.4
89.03832	0.9
89.10677	0.5
91.05403	2.1
96.04435	3.9
97.02829	4.1
98.06001	0.5
99.04363	1.7
100.11162	0.6
105.06974	0.9
106.02854	33.9
109.02835	7.9
110.07102	0.8
117.03332	4.3
119.04887	0.7
121.68018	0.5
124.03911	56.8
125.04269	0.6
127.03854	4.2
129.10182	0.6
131.08498	0.8
131.81076	0.4
133.10130	0.6
134.05974	3.6
135.65866	0.4
136.06140	2.8
137.04565	0.9
137.05785	0.5
144.04422	1.0
145.02820	15.1
146.05984	4.4
147.04378	2.4
147.06279	0.6
148.03914	0.6
149.05954	1.9
151.03845	0.5
162.05466	100.0
163.05811	3.1
175.03806	0.6
177.05426	19.7
186.05408	0.7
190.04965	7.9
191.05180	0.4
204.06541	1.0
207.06570	0.8
208.06009	4.8
248.12880	0.6
250.07043	2.3
265.15323	2.9
268.08093	19.2
270.07547	0.5
286.09277	0.4
300.03995	0.5
316.08167	0.5
377.37378	0.4
386.70474	0.5
393.52646	0.4
429.12860	4.1
430.13202	0.7
457.12411	3.1
475.13388	14.4
476.13290	0.7
517.14160	1.6
549.13043	0.4
583.15076	0.8
601.16357	7.7
601.30835	1.5
602.16669	0.8
619.17590	13.1
619.32080	3.6
620.17676	0.9
637.17871	2.1
638.19623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85872	0.2
57.03371	0.5
62.77267	0.2
69.03329	0.2
71.01289	0.3
85.02795	0.6
119.03508	0.4
136.06158	100.0
137.06575	2.1
148.24631	0.2
161.27110	0.2
162.05450	0.3
255.88422	0.3
268.07458	0.5
268.10345	14.3
269.10510	0.3
322.75146	0.3
402.57846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96508	6.8
58.14750	0.5
65.45266	0.5
67.05428	0.9
68.85580	0.6
69.06995	1.2
78.74259	0.6
81.03329	1.4
83.08552	1.3
85.54910	0.6
86.65018	0.6
92.10911	0.8
95.08525	0.7
102.92560	3.5
109.02816	1.2
118.91989	0.6
120.93623	0.8
128.98466	0.7
134.99640	0.8
135.34145	0.6
136.93130	3.7
138.40172	0.6
143.00146	0.9
146.99652	1.4
148.78912	0.6
149.01263	1.0
149.02348	6.4
154.94127	17.6
161.01244	2.6
172.95200	96.0
184.50243	0.6
190.96249	100.0
193.05052	3.2
195.96828	5.0
196.95186	0.8
200.94600	0.8
201.00728	3.0
208.97395	2.5
210.96712	6.6
212.98412	1.1
213.97858	2.8
214.96306	3.5
226.96135	1.0
228.97806	29.7
230.99446	0.9
238.96271	1.1
240.97868	1.2
246.98897	8.5
251.99461	0.9
255.03918	1.2
256.97238	1.3
280.97388	4.1
298.98444	11.1
316.99402	22.0
321.21021	2.4
335.00479	2.7
337.20432	2.3
339.22009	16.3
340.00967	0.8
340.22623	0.7
357.23218	3.6
401.17511	0.7
457.20444	3.6
475.21210	30.0
476.21588	1.5
493.22357	4.3
621.15961	1.5
637.26520	56.0
638.26733	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	637.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99446	0.9
55.05437	1.6
55.33252	0.9
65.03877	1.3
65.44550	1.0
65.79250	1.0
67.05396	1.0
69.03323	1.9
70.06499	4.9
72.08041	4.9
80.69942	1.1
81.03334	11.8
85.02813	1.9
91.05400	20.5
97.02816	2.2
98.05935	1.9
103.05455	1.3
106.02863	2.3
107.04891	10.0
117.03305	6.1
119.04886	48.6
120.05249	1.5
124.03859	5.8
124.05183	1.3
129.89757	1.2
130.06491	1.9
131.04906	2.6
137.05946	7.0
141.92334	1.4
145.02832	14.1
146.06004	11.1
147.04384	100.0
148.04781	2.0
149.05917	2.0
161.05908	2.4
162.05432	11.4
164.47795	1.2
167.06996	29.6
173.05896	1.8
175.03882	2.3
175.07480	5.6
177.05405	14.6
181.73106	1.1
183.90544	1.1
187.07497	2.1
249.09309	1.1
254.03363	1.7
273.15680	1.5
277.08426	1.7
282.02661	1.7
295.06030	1.2
304.15305	9.7
309.10965	1.9
339.12592	1.6
428.90393	1.5
443.21677	1.9
456.19995	9.0
473.22723	37.3
474.22818	4.7
499.20605	1.5
619.26312	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	637.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22951	0.2
54.80799	0.3
63.02283	0.3
69.03339	0.4
70.06518	2.5
72.08067	1.7
78.04619	0.4
81.03346	0.7
84.04449	0.3
84.23563	0.3
85.02831	0.5
86.26453	0.3
89.03841	11.7
91.05412	5.0
91.35926	0.3
95.04889	0.3
103.05403	1.2
105.03360	0.4
105.06997	0.3
106.04115	0.4
107.04900	0.6
109.02862	0.4
117.03333	42.4
118.03693	0.5
119.04898	6.9
121.06467	0.5
124.05180	0.6
131.04892	0.6
132.89795	0.3
133.02798	1.2
134.03574	3.1
135.04384	3.7
137.05963	3.5
145.02831	100.0
145.72504	0.3
146.03131	2.7
146.05978	2.7
147.04405	12.7
149.05969	15.0
151.07498	1.1
158.06023	0.5
161.05986	0.7
162.03133	0.6
162.05452	2.0
162.06731	1.0
163.03908	1.8
167.07036	1.8
173.05879	0.4
175.03894	3.1
177.05440	82.9
178.05739	2.9
179.07025	2.9
186.05508	1.3
187.07487	0.3
192.06450	0.3
201.05453	2.4
201.07097	0.3
231.06462	0.5
246.11246	0.5
263.13907	0.3
265.15363	1.3
266.03174	0.3
277.08536	0.5
282.02701	0.5
291.06454	1.2
291.13327	1.6
304.15347	0.3
305.07919	0.7
325.10645	1.9
337.10559	1.5
355.11691	2.9
373.12811	2.2
390.12909	1.0
407.16141	0.6
413.20670	0.6
439.18533	1.2
440.19141	0.5
441.19809	0.3
443.21631	0.4
456.19809	0.4
461.22778	3.0
473.22504	2.1
589.24939	1.1
619.26184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54620	0.9
56.12704	1.3
60.41963	1.1
64.33301	1.0
69.06976	1.2
70.06507	8.1
71.04900	1.4
72.08047	2.4
81.03313	1.1
84.95292	1.1
85.02821	2.6
86.09634	1.9
89.03838	13.0
91.05418	9.9
92.10336	2.9
92.10895	2.7
93.06954	1.3
103.05392	3.0
106.04114	2.8
109.02829	2.1
117.03320	45.3
119.04902	7.6
120.08057	2.5
121.06454	6.1
124.03941	1.4
127.03822	1.4
134.03629	1.8
134.21753	1.2
135.04361	2.7
137.05968	18.7
145.02818	100.0
146.05962	10.1
147.04401	20.6
149.05951	23.5
161.05988	1.8
162.05472	10.5
167.07042	5.2
175.03842	2.8
175.07500	4.6
177.05431	80.0
179.07027	1.5
182.09338	1.8
191.06934	1.6
192.06357	1.4
201.05447	2.8
207.06602	1.5
209.08069	11.2
210.08748	1.3
238.03767	1.4
259.09567	1.4
264.01904	1.3
265.15494	1.8
266.03345	2.0
282.02762	4.8
314.76376	1.4
335.49683	1.2
338.09949	1.3
377.18130	1.5
409.17963	1.3
426.18719	2.2
443.21689	21.1
483.05927	1.2
529.61743	1.8
538.61902	1.6
619.26050	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	637.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	1.4
54.81316	1.1
55.05443	9.0
57.07014	64.7
65.03862	7.3
69.06986	2.1
71.55943	1.1
73.27802	1.2
83.04897	87.9
91.05405	17.7
92.10867	3.4
93.06996	2.3
95.04886	1.6
98.98388	7.1
105.06981	10.5
112.81647	1.4
115.05376	2.2
117.06947	2.9
118.81564	1.6
119.08513	9.8
129.06955	2.8
131.08507	3.0
131.18150	1.3
132.09299	3.0
133.10120	2.7
141.06978	14.4
147.08015	2.4
147.11662	63.3
148.12027	2.2
151.01532	9.7
159.08041	9.2
160.35068	1.5
161.13210	1.9
163.01532	6.2
169.07608	2.5
175.01527	16.1
181.02547	3.0
188.22459	1.4
189.59181	1.3
221.03569	1.7
227.04677	9.1
239.04654	10.2
257.05508	1.6
337.02304	85.3
393.08521	26.5
413.05557	2.3
415.13641	1.5
469.11810	13.7
525.18018	24.1
581.24152	100.0
582.24554	6.2
636.47943	1.5
637.30426	51.2
638.30853	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	637.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81466	8.3
55.05447	15.0
57.07010	8.9
58.69876	7.7
59.48038	7.7
64.33097	11.9
67.05416	14.6
69.06986	19.3
69.76741	7.7
71.04897	23.5
73.29606	8.3
79.05437	10.0
81.06960	47.3
85.02817	48.7
93.06966	20.8
95.08537	44.9
102.73426	8.9
104.10670	19.2
105.06949	44.1
107.08522	45.8
107.87641	8.3
109.10104	59.6
110.16424	10.6
117.03321	14.9
119.08511	60.6
119.12307	8.8
121.10087	44.9
124.73878	10.4
127.11140	22.8
133.10106	20.2
135.11639	37.1
136.67316	8.9
143.08553	17.0
145.02798	18.1
145.10103	43.4
147.04243	10.7
147.11685	21.4
157.10065	17.4
159.11638	52.3
161.13181	39.6
169.10114	15.0
171.11658	17.3
173.13141	36.7
175.14815	15.2
185.13176	100.0
187.14763	34.2
199.14813	12.2
201.16321	17.9
210.13901	10.8
403.33215	10.4
421.34570	80.5
439.35587	94.3
457.36798	15.4
569.01355	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05421	0.3
76.15408	0.3
88.69771	0.3
88.74597	0.3
100.88043	0.3
110.96762	0.2
121.66856	0.2
124.51650	0.2
136.20456	0.3
149.15489	0.2
163.12454	0.2
187.03346	0.3
193.37508	0.2
201.17403	0.2
217.08139	2.0
319.11633	0.3
333.95599	0.3
341.20569	100.0
342.20917	6.8
346.44748	0.3
364.44412	0.3
637.42877	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	637.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40773	0.3
54.81963	0.3
56.59178	0.3
58.47480	0.4
65.88657	0.3
67.05437	0.5
81.03343	0.5
82.74620	0.4
93.06953	0.4
103.21338	0.4
109.02827	2.3
126.03038	0.4
127.03856	0.8
128.22118	0.4
148.77164	0.4
169.04829	0.5
198.47404	0.4
257.11163	0.7
282.95468	0.4
317.02316	0.4
319.22455	0.6
341.20581	100.0
342.20990	5.8
637.42816	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	638.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06515	0.6
60.08080	2.5
71.07293	0.7
73.01711	0.5
75.69655	0.5
86.09626	20.8
92.63801	0.6
94.86623	0.6
104.10675	78.0
113.70020	0.5
115.54540	0.6
119.20486	0.6
122.86123	0.5
137.66763	0.5
150.20132	0.6
159.13576	0.6
174.98041	0.6
200.45412	0.5
218.37987	0.5
236.99205	18.5
296.06528	100.0
297.06921	0.8
375.52527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55764	0.8
53.48673	0.7
60.08082	0.9
63.41193	0.8
65.03864	5.9
67.62814	0.9
69.23380	0.7
71.23006	0.9
79.90076	0.8
83.23337	0.9
86.09633	1.3
95.04913	1.6
104.10681	4.2
104.45751	0.8
121.02800	3.6
139.03870	5.1
149.02325	100.0
149.03410	7.3
171.28812	0.9
175.03970	1.5
177.05434	1.2
184.07266	2.1
193.04932	41.5
210.89612	1.3
219.06534	2.1
237.07599	5.9
341.06488	1.5
385.09201	2.0
492.54459	1.0
577.13354	7.7
621.15948	45.4
622.15802	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	638.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50170	0.6
75.06705	0.7
76.69991	0.7
89.03850	11.1
91.05418	0.7
93.30887	0.7
104.51218	0.6
117.03329	43.8
118.03727	0.8
134.03610	1.6
135.04375	2.9
145.02826	99.8
146.03140	3.4
149.02336	1.0
149.05965	18.3
163.03735	1.0
177.05437	100.0
178.05763	4.2
186.05455	2.6
193.39737	0.8
200.50256	0.7
259.29480	0.8
379.79330	0.7
423.35855	0.8
427.13791	20.5
428.14145	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00257	4.7
55.01808	11.9
55.05444	38.6
57.03363	11.7
61.50219	5.0
65.03846	6.4
66.80447	6.8
67.05430	100.0
69.03342	6.6
69.06989	50.7
71.04909	7.0
79.05415	62.6
81.03339	56.8
81.06969	88.4
83.04906	9.6
83.08523	7.4
85.06451	8.1
91.05422	41.7
93.06969	99.0
95.04893	49.4
95.08524	77.3
97.06446	9.5
97.10122	13.5
99.08023	10.4
105.06953	25.9
107.08537	29.6
109.06445	13.8
109.10106	29.9
117.06966	7.3
119.08526	25.5
121.10085	34.3
123.08016	29.7
123.11600	6.8
125.09588	7.4
131.08540	12.8
135.11621	9.3
137.09592	27.0
139.11217	7.3
145.10081	6.8
147.11609	11.2
149.09700	10.0
149.13277	7.7
177.05388	6.4
213.13245	6.0
221.15256	9.5
239.70934	6.8
250.90175	7.4
273.18494	8.1
277.21539	96.1
291.19449	10.8
295.22559	43.4
309.20450	6.8
393.29700	6.2
469.88199	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	639.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40664	0.1
55.01808	0.2
56.96497	0.2
57.03363	0.7
67.92978	0.1
69.03342	1.9
70.06494	0.6
81.03330	0.7
84.04443	0.2
85.02833	1.5
87.04389	0.7
89.03795	0.2
91.05410	0.3
97.02828	1.8
110.07170	0.2
117.03334	0.3
119.04882	1.0
121.02830	0.3
127.03817	0.2
144.76064	0.2
145.02815	1.0
146.05980	0.9
147.04402	1.4
151.03882	0.2
153.01804	0.9
154.02596	0.3
159.30652	0.2
162.05479	2.1
171.02858	0.7
175.03870	0.2
177.05458	1.5
178.02660	0.4
179.07040	0.2
181.04982	0.2
190.04787	0.2
205.71777	0.2
207.06551	0.7
209.88885	0.2
238.04070	0.2
242.05659	2.3
256.04678	0.2
258.05139	1.7
264.01761	0.3
266.03339	0.2
269.04529	0.3
270.05154	10.2
271.05383	0.3
273.03833	1.4
282.02747	1.4
286.04654	1.8
287.05481	4.0
299.05362	1.2
301.03351	2.8
302.04175	3.4
313.03223	0.2
315.04926	41.9
316.05609	5.6
331.08051	100.0
332.08395	4.6
332.12286	0.2
372.08734	0.2
507.04190	0.2
507.11276	3.7
533.12451	0.2
639.15491	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08627	0.2
65.03857	4.4
67.05450	0.3
69.03365	0.4
92.10149	0.3
92.63722	0.3
95.04895	0.6
103.01749	0.4
104.70195	0.2
105.03314	0.3
121.02807	2.6
131.04845	0.4
139.03889	3.8
147.04401	1.1
149.02321	100.0
150.02629	1.8
175.03897	1.2
177.05402	1.5
191.07004	0.4
192.38849	0.3
193.04930	74.9
194.05249	1.6
203.70685	0.3
219.06506	1.5
225.05379	1.1
237.07532	40.9
238.07846	0.5
269.04483	1.0
297.03693	1.0
313.06918	0.6
330.42099	0.3
341.06519	4.7
359.07596	2.7
385.09036	8.9
429.06296	0.5
429.11703	11.3
430.12244	0.4
577.13202	7.4
621.15912	12.8
622.16528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35183	0.8
52.60047	0.7
54.81694	0.7
55.05448	1.7
62.37469	0.8
63.73831	0.7
65.01548	0.8
67.05411	1.5
70.06497	1.5
72.08073	1.5
73.39187	0.9
75.85953	0.8
77.92989	0.9
81.03325	0.9
84.04436	0.9
89.03863	6.6
91.05365	1.9
92.00157	0.8
95.04884	1.0
110.76274	0.8
114.36852	0.9
117.03319	31.5
118.03681	0.9
119.04855	1.6
122.03626	1.2
134.03564	1.3
135.04346	3.1
137.05940	34.6
145.02818	89.3
146.03096	3.0
146.05939	0.9
147.04379	4.4
149.05966	9.6
151.03844	0.9
162.05426	6.5
163.03845	1.7
165.05446	0.9
177.05420	100.0
178.05832	1.5
181.04779	1.2
186.05421	1.5
193.04953	11.9
282.02667	1.5
291.13351	13.3
297.07489	1.0
301.10623	3.4
314.07809	9.4
329.10086	3.6
357.09460	4.1
371.07559	1.1
420.81097	0.8
439.18164	1.5
445.19479	11.0
540.40149	0.9
621.23804	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	640.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	2.4
53.03880	2.0
54.31611	1.8
54.82121	2.0
55.01802	2.5
55.05451	24.7
56.04982	1.6
57.03374	20.7
57.07000	4.1
59.45771	1.4
67.05427	59.4
68.04927	2.7
69.06985	35.4
71.04894	2.1
72.55649	1.5
79.05405	20.5
81.06976	60.1
83.08540	14.9
91.05395	8.9
93.06976	18.3
95.04881	2.6
95.08532	42.2
97.06464	3.8
97.10100	2.4
98.05975	2.1
105.06991	4.3
107.08528	8.0
109.10078	15.0
119.08542	7.4
121.10101	2.9
122.06036	13.4
123.11664	4.2
125.32175	1.6
126.05427	1.5
127.25590	1.5
133.10104	3.4
135.10059	1.9
135.11708	2.8
137.13184	2.0
152.07056	2.3
158.62689	1.7
161.13277	2.0
165.16461	1.8
188.09131	12.2
220.03664	20.8
268.05786	9.3
286.06808	9.8
304.07800	7.9
337.27328	100.0
337.31366	3.3
338.27570	3.6
390.13306	2.0
460.31769	2.1
556.30035	3.3
571.33777	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	640.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02297	0.7
52.20410	0.5
53.00240	3.1
53.03887	6.7
53.72871	0.6
55.01822	7.1
55.05453	32.4
57.03373	5.8
57.07010	7.0
59.04908	0.9
61.42639	0.6
62.44942	0.6
65.03848	1.0
67.05428	75.1
68.05728	0.8
69.03353	8.8
69.06988	29.5
71.04921	5.1
71.08545	11.0
73.06455	0.9
73.67416	0.6
79.05408	46.9
80.05745	0.7
80.94692	0.8
81.03341	36.7
81.06512	1.6
81.06976	48.2
83.04427	1.3
83.04897	20.8
83.08527	9.7
85.06459	5.1
85.10103	3.4
91.05405	26.6
92.10326	1.2
93.06973	55.9
94.07282	1.3
95.04893	34.3
95.08535	43.5
97.06454	9.0
97.10098	8.9
99.08019	9.0
101.25359	0.8
105.04386	0.9
105.06355	1.0
105.06979	15.1
107.04916	2.7
107.08543	23.3
109.06476	6.8
109.10103	30.1
109.10844	1.0
111.08013	3.7
111.11652	0.9
113.09577	1.8
117.06954	5.9
119.08543	15.8
121.06440	1.5
121.10094	22.2
123.08005	3.8
123.11623	4.9
125.09618	2.9
129.06979	1.8
131.08514	8.8
133.10092	15.6
135.07980	0.9
135.11676	12.6
137.09596	20.6
137.13257	1.2
139.11157	28.5
143.08524	4.5
145.10063	4.5
147.11671	9.1
149.09599	3.2
149.13242	8.0
151.09982	1.4
151.11151	24.4
157.10117	1.0
159.10446	0.7
159.11635	6.0
161.09581	1.0
161.13213	4.2
163.11113	9.2
163.14711	1.2
165.12704	5.1
171.11661	2.7
173.11694	3.7
173.13231	3.0
175.11140	1.1
175.14754	3.0
177.12697	1.3
179.14316	1.2
181.12177	0.8
185.13210	3.5
191.14215	3.3
193.12224	1.5
199.14781	2.6
203.12711	1.6
207.13719	1.1
211.13118	0.8
221.15292	4.3
241.19455	1.6
249.22076	3.5
259.20419	3.1
275.20108	2.4
277.21564	100.0
278.21954	5.6
293.21048	10.6
294.21304	1.1
295.22629	46.8
296.22937	1.4
309.20517	1.5
350.58786	0.8
408.33133	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	640.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	1.3
53.03887	8.4
55.01808	7.4
55.05188	1.6
55.05449	36.7
57.03370	5.0
57.07016	9.8
59.04940	1.1
66.80922	1.1
67.05427	83.1
69.03338	6.4
69.06985	29.7
71.04900	7.6
71.08540	14.6
71.77930	1.2
76.06389	1.3
79.05406	46.2
80.61771	1.3
81.02927	1.0
81.03332	39.9
81.06973	54.2
82.07308	1.3
83.04895	23.2
83.08540	11.6
85.06463	6.5
85.10092	5.5
91.05399	27.7
93.06973	65.7
95.04894	37.1
95.08531	46.0
96.08823	1.5
97.06468	9.0
97.10123	8.5
99.08023	8.8
100.55347	1.2
102.89458	1.1
105.06979	20.8
107.04894	3.0
107.08534	22.9
109.06474	7.2
109.09395	1.9
109.10103	31.1
111.08038	2.5
113.09608	1.8
117.06996	6.1
119.08530	19.3
121.06432	1.8
121.10088	24.8
121.93383	1.3
123.07999	4.7
123.11636	2.7
125.09573	2.8
129.06984	2.2
131.08524	9.1
133.10085	15.1
135.08023	2.4
135.11644	11.4
136.06480	1.2
137.09592	23.1
137.13248	1.6
139.11157	29.0
143.08543	5.2
145.10100	2.8
147.11650	9.4
149.09581	4.4
149.13219	5.5
151.11156	19.2
157.10078	1.9
159.11658	3.1
161.09506	2.1
161.13240	2.1
163.11118	6.1
163.14774	1.6
165.12717	7.0
171.11700	1.9
173.11679	5.3
173.13139	1.6
175.11140	2.0
175.14844	2.2
177.12677	1.8
179.14336	1.4
185.13300	1.8
191.14301	2.0
193.12201	1.8
193.15933	1.6
203.12794	1.5
207.13541	1.5
211.13373	1.6
221.15331	5.8
231.21042	1.4
241.19411	1.5
249.21794	3.3
259.20490	2.6
275.19907	1.4
277.21561	100.0
278.21875	6.6
279.23264	1.3
280.16022	1.2
293.21109	8.7
295.22601	58.9
296.23007	2.2
326.64072	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	4.8
55.01807	20.6
55.05452	51.0
57.03371	6.2
57.06999	4.6
57.82390	3.8
58.77835	3.4
60.36714	3.1
65.03870	4.3
67.05431	77.2
69.06989	77.8
71.04935	6.5
71.08533	5.6
71.74879	4.0
76.13875	3.6
79.05409	88.5
81.03333	9.3
81.06970	86.0
83.04886	19.2
83.08524	27.7
85.06474	5.8
91.05404	71.7
92.10831	6.0
93.06974	100.0
94.98756	5.3
95.04903	40.3
95.08535	62.3
97.06435	16.9
97.10095	17.4
105.06975	62.9
107.04911	37.9
107.08540	41.8
109.06492	5.2
109.10112	23.5
117.06966	20.4
119.08529	55.4
120.84576	4.5
121.06441	5.4
121.10084	29.4
123.08018	4.9
123.11620	4.9
129.06976	8.0
131.08493	36.7
133.10095	38.7
135.08041	19.0
135.11693	4.9
137.09599	20.1
139.11186	8.6
143.08574	5.7
145.10107	21.4
147.08046	4.3
147.11662	21.7
149.09589	23.5
149.13206	4.4
159.11612	10.0
161.13148	5.0
163.11119	9.0
173.13171	4.3
175.14815	5.1
177.12738	6.1
185.13222	7.4
195.13838	6.6
203.12711	5.9
237.14801	5.9
253.02295	4.5
257.18982	9.2
275.19977	95.9
277.21597	39.3
293.21033	85.0
295.22562	36.4
323.82281	4.0
355.51331	4.0
409.71017	4.3
434.54102	4.2
543.37921	16.0
560.53082	5.2
640.40643	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	641.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	0.4
53.03888	0.1
55.01812	0.6
57.03370	1.3
61.02845	0.8
61.19675	0.2
67.01794	13.9
68.05332	0.2
68.99360	0.3
68.99708	4.9
69.03071	0.1
69.03357	2.7
70.06509	0.8
71.01273	0.2
71.04914	0.3
72.08054	0.3
73.02822	0.9
81.03336	2.3
83.01252	0.9
85.02833	11.7
86.42709	0.2
89.03822	0.9
90.12250	0.2
91.03866	0.2
91.05400	1.1
95.01263	5.2
95.04891	0.3
97.02827	5.9
99.00761	0.3
99.04391	0.3
103.03866	0.2
105.96529	0.2
109.02839	0.8
110.06996	0.2
111.00754	0.7
111.04392	1.1
111.05154	0.2
113.02327	0.9
114.69821	0.2
115.03808	0.2
117.02560	0.2
117.03337	5.0
119.04910	1.9
121.02798	0.3
123.04372	0.9
125.02316	1.7
125.05939	0.2
127.03901	2.7
129.01793	2.3
131.03398	0.4
135.04419	1.5
137.05951	4.1
141.01814	7.2
145.02838	17.2
145.04919	1.2
146.03163	0.4
147.04454	1.3
149.05986	2.6
151.03894	2.6
151.07538	5.9
153.01810	87.5
154.02173	2.4
159.02814	0.7
162.03157	0.3
162.05406	0.3
163.03845	1.3
163.05994	0.3
165.01727	0.2
167.55373	0.2
171.02859	100.0
172.03217	2.1
177.02034	0.6
177.05444	22.1
178.05771	0.4
179.03369	8.3
180.03653	0.2
183.02905	0.8
191.03352	0.8
195.02873	6.2
201.05449	0.2
219.02882	1.7
231.02904	0.3
249.04106	0.3
257.07999	0.2
261.03912	0.3
261.07559	0.8
279.04706	0.2
285.07486	0.7
287.05338	0.2
297.06125	0.2
303.08588	62.6
304.08963	3.6
315.08618	0.4
327.08838	0.3
334.57022	0.2
345.09528	1.0
362.11539	0.3
369.09671	0.7
411.10510	0.3
429.11407	0.4
470.62994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00728	0.6
53.03881	4.0
55.01800	1.1
56.96500	0.7
57.03369	1.3
57.42590	0.6
60.04445	0.7
61.02842	0.8
69.03351	10.2
70.06498	4.9
71.04890	0.8
72.08044	0.9
73.02834	0.7
76.48795	0.8
78.03367	8.2
80.04924	3.8
81.03335	17.9
83.06031	0.9
83.29908	0.7
84.04437	2.7
84.08049	2.8
85.02824	8.8
86.05965	0.7
91.05415	3.2
92.64203	0.8
96.04436	5.9
97.02824	12.2
99.04358	1.3
106.02857	42.9
109.02832	13.8
110.07111	3.6
119.04906	1.7
123.04257	0.8
124.03912	100.0
125.04272	0.9
127.03894	7.0
129.10191	0.9
136.03903	0.8
138.61194	0.6
145.02840	4.3
146.05936	1.4
147.04385	4.1
147.06282	0.9
151.02599	6.6
151.03787	1.5
152.13376	0.7
162.05441	8.0
163.05804	1.4
164.03375	4.1
165.62846	0.7
166.04948	16.9
169.03703	1.4
170.80725	0.7
175.03799	0.9
177.05478	4.9
179.02158	6.2
194.04454	31.3
207.06316	1.0
212.05513	4.2
250.07033	14.4
268.08087	33.2
269.08459	1.3
282.02771	1.2
286.09103	1.6
430.13348	13.7
461.10873	3.7
641.19269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	1.1
58.37857	1.2
65.03858	8.8
67.05430	2.3
68.17281	1.3
69.03347	2.7
70.06508	5.4
75.39512	1.2
78.04631	1.4
79.05418	2.8
79.41812	1.2
82.04106	1.6
84.71850	1.1
85.02827	2.3
86.09624	1.7
91.05386	10.3
92.06160	1.5
93.03342	1.3
94.35459	1.2
95.04907	5.7
97.06435	1.5
103.05415	1.8
107.04901	10.6
110.03606	1.5
111.04403	1.3
115.05405	6.5
117.03346	2.6
117.06975	13.0
119.04898	3.0
120.05700	1.4
123.04390	2.8
124.05189	1.4
125.05940	2.2
128.43073	1.5
131.04907	7.9
135.04448	1.6
137.05919	5.9
138.03162	1.7
143.04921	1.9
145.02849	5.5
145.06467	25.3
146.05965	3.0
147.04424	10.5
148.05199	5.3
149.06046	1.5
152.04752	1.7
155.06004	4.7
157.06435	1.4
160.05188	1.9
161.06021	1.7
162.05481	1.6
163.03992	1.8
165.05478	10.7
167.07007	47.4
171.06520	11.1
173.05945	25.5
175.07518	2.5
177.05453	11.2
181.04907	100.0
182.05254	1.6
185.06055	1.5
189.05577	1.8
191.07019	10.8
200.05373	1.4
201.05450	12.8
203.07036	11.7
205.05023	2.9
205.08597	6.8
217.08606	2.6
219.06447	15.5
220.07277	7.6
233.08018	14.0
234.08873	9.2
235.09489	2.2
264.98758	1.5
355.11761	2.2
357.13013	2.3
359.10904	2.9
377.47989	1.4
385.12744	16.7
415.13687	8.3
416.14545	12.5
417.15103	8.6
620.66748	1.6
641.22205	42.1
642.21771	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35035	0.3
53.14707	0.3
58.06505	0.5
58.55882	0.3
65.03855	0.6
69.03344	0.6
70.06496	0.6
72.08052	1.9
81.03308	0.8
84.08056	4.6
85.02801	1.8
91.05396	6.6
96.13277	0.4
103.44704	0.3
109.02822	1.6
110.09623	0.5
112.11190	14.0
117.03289	0.8
119.04893	19.7
124.03911	0.8
129.13838	8.4
134.06053	0.5
145.02824	1.9
145.30856	0.4
146.05974	6.8
147.04384	100.0
148.04739	2.6
155.11757	0.7
162.05470	8.1
177.05469	2.3
185.79228	0.4
190.04884	0.5
201.30074	0.4
203.11745	4.3
204.10164	56.2
205.10516	1.5
218.11674	0.8
237.62997	0.5
238.03862	0.5
254.03168	0.4
256.04950	0.8
264.01868	0.6
266.03140	0.5
275.17484	14.8
282.02692	4.1
332.90509	0.4
349.26059	0.6
477.28564	2.0
495.29440	5.8
538.62885	1.4
546.61584	0.5
624.30139	1.8
641.33209	37.6
642.15405	2.2
642.33643	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	642.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	0.9
55.05439	0.6
56.96489	0.6
58.06516	0.6
65.03860	0.8
69.03339	3.0
70.06505	0.6
72.08090	0.8
81.03320	4.9
83.04906	1.2
84.08067	3.3
85.02827	3.4
91.05402	9.5
93.06947	0.9
97.02850	0.5
99.04388	1.2
108.26106	0.5
109.02835	5.2
110.07137	0.6
112.11192	8.7
113.11525	0.8
119.04895	22.3
120.05236	2.7
124.03862	1.1
127.03897	1.0
128.04953	0.9
129.13835	7.1
134.05960	0.6
144.04439	0.7
145.02776	1.2
146.05986	21.2
147.04379	100.0
148.04723	12.8
150.32025	0.6
151.70425	0.6
160.07347	0.6
162.05466	29.5
163.05792	3.1
169.57974	0.6
174.05460	1.1
175.03835	1.0
177.05438	1.1
190.04996	2.5
203.11783	5.2
204.10161	50.6
205.10532	8.9
207.06587	1.3
220.02711	1.4
222.04178	0.8
236.02257	2.5
238.03783	4.3
240.05374	0.8
248.02217	1.0
254.03371	3.5
256.04855	4.6
264.01709	4.7
266.03302	4.5
267.54861	0.7
275.17422	11.6
276.17783	3.1
278.03433	0.7
282.02786	18.9
283.03094	1.2
299.05466	0.7
300.03702	1.2
306.02789	1.1
310.02136	0.6
349.60336	0.6
363.07721	0.8
415.00143	0.7
441.62488	0.7
466.60468	3.2
474.60110	2.5
478.28546	0.6
478.94070	0.6
495.29163	2.4
496.30112	0.8
538.62494	5.4
539.12665	1.2
641.23309	1.0
641.33228	23.9
642.16180	6.5
642.33490	21.0
642.64978	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	642.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89819	0.5
53.03887	2.8
55.01814	1.6
55.05454	14.2
57.03366	3.0
57.07015	6.4
67.05076	1.4
67.05428	39.8
67.05787	1.4
67.89630	0.6
69.03350	4.3
69.06990	13.5
71.04910	4.2
71.08553	8.2
79.05406	19.5
81.03338	18.9
81.06976	25.4
83.04900	7.2
83.08553	6.3
85.06467	1.5
85.10082	4.8
91.05404	12.2
93.06970	31.3
95.04902	17.9
95.08537	21.5
97.06458	4.4
97.10100	4.2
99.08025	6.8
101.05949	0.7
102.86894	0.7
105.06969	9.0
107.04913	3.0
107.08549	12.6
109.06454	4.6
109.10110	14.3
111.08012	0.9
113.05782	0.7
113.09599	4.5
117.06967	2.9
119.08532	10.2
121.10098	13.9
123.08017	1.3
123.11639	3.0
125.09593	1.2
129.06862	0.9
131.08534	3.3
133.10133	7.3
135.11659	5.9
137.09596	14.6
139.11201	2.6
139.52203	0.7
143.08556	1.5
145.10121	1.6
147.11661	6.5
149.09637	1.7
149.13243	4.3
151.11157	13.9
157.10129	1.0
159.11667	1.5
159.84305	0.7
161.13260	3.6
163.11150	2.9
165.12733	7.0
167.10728	0.8
171.11674	1.0
175.11180	1.2
175.14909	0.9
179.14296	1.7
185.13293	3.2
195.13718	1.3
199.15005	0.7
203.12756	1.1
221.15346	3.1
249.22040	3.6
249.32849	0.7
259.20560	3.6
277.21561	69.2
278.21884	4.0
295.22626	100.0
296.23111	5.2
621.68158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99507	1.1
52.13507	1.3
53.00239	1.6
53.03878	2.5
53.78021	1.5
55.01806	20.3
55.05443	47.3
55.44160	1.1
57.03359	6.2
57.07013	6.6
59.04934	2.9
63.58751	1.2
66.20480	1.4
67.05422	99.5
69.03355	5.8
69.06985	44.2
71.04905	7.7
71.08529	14.4
73.06460	2.0
79.05402	52.9
81.03332	14.8
81.06966	77.2
83.04897	13.7
83.08529	23.3
85.06472	3.2
85.10115	2.1
91.05394	40.7
92.10357	1.6
93.06967	74.9
95.04892	16.3
95.08527	57.7
97.06449	13.5
97.10100	16.2
99.08016	3.5
102.03371	1.4
105.06966	27.3
107.04837	2.0
107.08537	28.0
108.33604	2.0
109.06451	9.6
109.07117	1.5
109.10090	49.9
111.08031	10.6
113.09618	2.2
117.06938	12.1
119.08514	27.3
121.06467	2.7
121.10101	22.6
123.07988	8.4
123.11653	8.0
125.09563	10.8
129.06958	6.4
131.08540	9.5
133.10086	17.7
135.00186	1.6
135.11646	13.9
137.09590	30.4
139.11128	12.6
143.08546	2.1
143.21855	1.6
145.10120	6.4
147.11667	14.8
149.09579	3.4
149.13211	11.4
151.11150	18.2
153.12775	2.1
157.10059	5.9
159.11668	6.6
161.13226	7.6
163.11176	8.2
164.76675	1.4
165.12738	9.0
171.11665	3.0
173.11685	13.1
173.13028	1.8
175.14719	6.0
177.12698	7.7
179.14270	6.7
181.12230	9.4
185.13170	2.2
189.11143	3.5
195.13745	6.9
207.13605	1.8
213.14798	1.8
231.20955	3.4
241.19482	2.8
249.22035	13.7
259.20560	9.3
270.69064	1.5
277.21552	100.0
278.21896	7.4
295.22598	96.8
296.22931	6.2
297.62881	1.6
323.23877	1.6
336.40311	1.7
449.32416	3.3
643.41510	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	642.515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95422	2.3
55.05442	6.0
56.93954	2.6
57.07006	58.6
59.81006	2.6
67.05437	5.6
69.06969	5.3
71.08550	42.9
73.06470	6.6
73.70375	2.9
77.59398	2.8
79.05423	3.1
81.06978	7.5
82.58102	2.7
83.08553	4.5
83.12666	2.8
85.10086	19.3
85.81915	2.8
87.04402	3.9
89.05956	92.5
90.50394	2.9
91.51712	2.9
93.06955	3.2
93.55926	2.7
95.08527	5.9
97.10117	5.0
98.35651	2.6
105.20116	2.9
107.07001	3.3
107.08536	4.7
109.10088	3.5
128.82243	2.9
133.08595	29.4
177.11198	12.2
216.56528	3.6
299.29315	4.9
326.35159	4.2
343.32108	4.3
407.80167	3.0
415.25308	3.4
625.48120	17.8
642.50812	11.9
643.41718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	1.2
55.01805	2.7
65.03863	7.8
67.05412	3.7
69.03333	1.1
70.06501	3.3
71.01266	1.5
72.08068	2.7
76.55383	0.7
78.04583	0.9
79.05022	0.5
79.05404	6.4
81.03338	4.9
81.06965	1.2
82.04105	1.4
84.08067	1.2
85.02818	7.0
86.09638	0.8
90.99876	0.5
91.05416	8.1
93.03333	1.2
95.04889	5.7
97.06446	3.7
102.04572	0.7
103.04735	1.0
103.05404	25.3
105.03317	2.9
105.06978	11.0
106.04096	0.8
106.07278	0.7
107.04902	10.2
109.02818	1.0
109.06469	3.7
110.03612	5.0
111.04377	4.8
115.05419	7.9
117.03328	1.4
117.06951	6.8
118.04096	5.8
119.04900	5.0
120.08115	0.6
121.06441	3.3
121.96508	0.7
122.03574	1.2
123.00675	0.7
123.04369	7.5
124.05161	3.5
125.05933	6.4
129.06992	0.8
130.04115	1.2
131.04897	22.1
131.08557	0.8
132.05695	2.6
133.02783	4.6
133.06462	10.8
133.07402	0.9
134.03595	1.2
135.04446	1.0
135.08032	2.5
136.05128	0.7
137.05949	9.6
138.03078	0.9
139.03816	0.6
139.07503	0.8
140.04674	2.0
142.02547	0.9
143.04884	0.8
144.05693	2.5
145.02811	4.2
145.06470	7.9
146.03587	0.8
146.05946	0.7
147.04390	7.1
147.08047	3.3
148.05167	14.3
149.05928	3.5
151.03864	3.8
151.07634	2.0
152.04660	1.3
153.05498	5.6
155.05940	0.8
155.07062	0.7
157.06407	0.7
159.04350	0.7
159.08017	2.5
160.05202	1.1
161.05945	9.2
163.07507	25.9
165.05479	5.6
166.06155	0.8
167.07002	56.9
168.07307	1.1
171.06483	9.0
173.05943	6.1
175.07495	3.4
176.04645	3.2
177.05434	7.8
177.09097	0.8
178.05978	0.7
179.07033	1.5
180.07738	1.2
181.04921	100.0
181.92892	0.6
182.05318	1.3
187.07469	3.1
189.05412	0.8
190.06187	1.1
191.06996	69.7
192.07440	1.2
193.04912	3.9
193.08586	1.3
195.06483	2.4
201.05469	2.7
203.06982	3.4
205.08519	4.9
207.06345	4.2
207.08160	1.9
207.10046	1.3
208.07199	4.0
209.08015	2.8
217.08528	2.8
219.08159	0.8
219.10074	4.1
221.06064	0.7
221.08067	1.1
225.07526	8.5
226.08267	1.1
231.06413	0.8
233.08026	4.4
235.07468	0.8
235.09648	5.0
241.08469	0.7
252.07683	0.7
263.07059	1.2
263.09171	11.0
265.08560	1.1
267.10025	1.1
295.09534	0.9
297.11194	1.1
311.13208	0.8
323.08841	0.9
324.10019	0.9
325.10538	2.8
327.12274	0.8
339.11929	0.8
357.13159	3.0
367.11707	1.2
385.12772	7.7
399.14407	1.4
417.15378	8.8
467.51852	0.6
508.75125	0.7
642.45172	1.4
643.45264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	1.6
55.05458	7.3
57.07004	2.6
64.51467	1.6
67.05429	29.4
69.06999	7.4
71.08540	2.3
75.81329	1.7
76.56331	1.8
79.05423	7.1
81.06982	20.2
83.00134	1.7
83.04903	2.1
91.05418	3.3
93.06999	11.0
95.04907	2.5
95.08523	17.0
107.08555	2.2
109.10114	4.3
119.08588	3.0
121.10136	2.9
124.34024	2.0
131.08527	2.0
133.10114	2.3
149.13306	2.0
247.28329	1.7
252.14365	2.1
277.21664	3.2
295.22681	10.6
296.23273	2.0
317.20950	3.1
320.84082	2.1
349.19925	10.1
513.09814	2.0
643.41754	100.0
644.42261	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	643.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.2
55.01805	1.9
55.05452	10.6
57.03366	2.1
57.07010	1.6
59.04917	1.2
63.85972	1.1
67.05429	53.7
68.05761	2.1
69.06985	9.9
71.08553	3.0
72.31908	1.0
79.05400	14.1
81.03336	1.4
81.06976	41.9
82.07317	2.8
83.04914	7.1
83.08552	5.6
83.17659	1.1
91.05402	9.5
93.06961	19.9
94.07306	1.8
95.04901	2.8
95.08533	28.4
95.09084	1.8
96.08877	1.9
97.06458	2.4
97.10082	1.7
105.06364	1.2
105.06997	6.5
107.08556	12.4
108.08907	1.2
109.10105	14.2
111.51160	1.2
119.08547	4.6
121.10119	8.6
123.08070	2.0
123.11655	5.4
131.08563	4.8
133.10156	5.4
135.11673	4.6
137.09616	2.9
139.11118	2.2
145.10094	1.8
147.11653	2.0
149.13239	5.3
151.11189	2.9
161.13275	1.8
173.11751	1.5
173.13142	1.5
277.21555	10.0
278.22156	4.8
279.23169	10.8
280.23471	2.5
295.22641	15.4
296.23105	5.6
315.19284	1.8
351.21109	4.1
440.99329	1.5
643.41711	100.0
644.41931	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42263	0.9
55.05459	1.1
58.06982	1.0
68.44753	1.5
71.72660	1.1
82.05969	1.1
84.05145	1.3
92.10957	2.5
131.23405	1.1
170.89577	1.2
180.61230	1.2
182.65538	1.1
223.35123	1.1
225.43848	1.1
248.86725	1.3
253.61435	1.3
262.13065	1.2
270.47797	1.2
317.20892	1.4
402.12857	1.6
408.23605	1.2
411.22574	1.2
589.90790	1.3
640.33899	1.4
643.45367	100.0
644.45984	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.2
54.81171	1.1
55.01801	9.0
55.05454	36.1
57.03363	5.6
57.07004	6.0
58.27511	1.2
67.05428	82.0
69.03343	1.8
69.06988	28.1
71.04900	5.6
71.08547	29.4
79.04971	1.6
79.05411	43.2
81.03330	6.5
81.06976	100.0
83.04893	10.7
83.08534	32.7
85.06473	6.2
91.05413	27.9
93.06972	61.0
95.04894	10.3
95.08537	30.4
97.06438	12.6
97.10074	13.5
99.08035	21.3
105.06982	17.6
107.08542	38.7
109.06435	1.9
109.10102	26.2
111.08030	15.7
117.03342	3.3
117.06963	12.0
119.04887	3.4
119.08528	12.7
121.10110	23.7
123.07972	3.4
123.11633	6.0
125.09599	10.8
129.06963	1.9
131.08537	14.0
133.10120	25.0
135.08023	2.2
135.11639	22.2
137.09570	2.9
139.11150	1.7
143.08511	2.1
145.02809	12.7
145.10095	5.1
147.04407	11.8
147.11670	12.1
149.09581	1.4
149.13232	41.9
151.11171	23.7
156.05893	1.4
159.11658	17.9
160.76978	1.6
161.13231	6.5
163.11154	8.8
165.12694	8.0
173.11725	18.2
177.05447	16.2
177.12689	8.7
178.05847	1.9
179.14287	7.4
189.11177	7.6
195.13759	50.6
195.15535	1.7
213.14830	55.2
214.15097	1.4
219.05724	1.3
231.21036	1.9
241.19504	3.1
245.31706	1.5
259.20453	5.3
277.21573	55.7
295.19489	2.5
295.22650	51.8
296.22964	2.2
646.28137	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06528	0.4
59.28626	0.2
60.72489	0.2
62.75284	0.2
63.02286	0.2
65.03860	0.3
67.66341	0.2
69.03329	0.2
70.06506	1.1
70.79612	0.2
71.52153	0.2
72.08067	8.0
72.44357	0.2
75.09152	0.2
84.08057	1.7
86.09637	0.2
89.03831	5.4
89.32285	0.2
91.05401	6.7
93.23211	0.2
97.02851	0.2
105.06972	0.2
106.04147	0.2
110.07212	0.2
110.09605	0.2
111.75213	0.2
112.11189	4.1
117.03324	19.8
119.04891	16.8
120.65705	0.2
129.13820	2.6
130.06508	0.5
134.03583	1.5
135.04393	2.0
137.10739	0.2
145.02820	66.4
146.03183	1.4
146.05995	0.3
146.16499	1.1
147.04382	43.4
148.04730	0.9
149.05946	6.5
155.11731	2.0
162.03104	0.4
163.03819	1.6
167.06947	0.2
172.14397	0.9
175.03900	0.2
176.07112	0.4
177.05428	100.0
178.05800	2.0
186.05420	0.9
203.11681	1.4
204.10155	10.8
218.10417	0.8
219.08917	0.3
221.12767	0.4
231.11293	0.3
232.11842	0.3
233.12814	2.5
234.11198	35.1
235.11603	1.3
247.14426	1.6
248.12752	4.3
251.13879	0.4
275.17395	2.3
292.20139	1.3
301.15222	0.2
304.20117	0.5
305.18552	6.6
313.14801	0.2
322.21158	8.5
323.21307	0.3
348.19107	1.2
423.03104	0.2
450.23813	5.0
451.22189	1.1
453.21573	0.2
468.24826	13.2
469.24881	0.7
480.24780	16.4
481.24194	1.0
494.22290	0.4
498.25876	29.6
499.26163	2.2
644.29749	3.0
672.70972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	9.2
55.76411	3.7
66.08684	4.2
67.05424	73.0
67.94902	4.3
69.06977	7.9
79.05417	17.4
81.06969	100.0
83.04866	5.0
83.08530	5.5
84.21675	4.3
89.05948	27.8
91.05415	7.6
93.06973	9.8
95.08520	78.4
95.52043	4.5
95.87132	4.0
107.08519	10.5
109.10120	24.4
121.10093	6.5
133.08537	7.9
133.10027	4.6
135.11581	7.9
243.21051	5.0
252.55112	4.7
261.21982	5.6
293.24655	20.7
352.28369	19.4
459.27548	6.2
644.52509	10.0
645.43646	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	645.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99454	0.3
50.99669	0.4
51.38256	0.3
56.53261	0.3
59.06042	0.4
67.05415	0.6
67.37943	0.3
86.09650	0.4
89.05934	0.6
94.16143	0.4
347.18088	0.6
365.19308	2.1
451.35452	0.6
627.42004	1.0
645.41547	100.0
646.41742	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	645.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05030	0.8
55.05441	1.1
57.07026	1.6
63.15039	0.8
67.05413	1.2
69.07011	1.0
81.06999	1.1
86.37022	0.9
86.89703	0.9
89.05958	4.5
91.05453	1.4
92.10957	1.8
95.08546	0.9
106.65311	1.1
131.08543	1.0
133.08597	1.1
194.94351	1.0
210.92729	0.9
303.13269	0.9
644.41211	1.5
645.41248	100.0
646.41449	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	645.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27741	1.0
67.05399	1.6
80.23582	1.1
82.53834	1.1
83.08585	1.3
89.05975	1.7
91.04314	1.2
102.01340	1.1
124.99770	1.2
206.70094	1.2
207.51781	1.1
278.77393	1.1
309.36987	1.1
317.20877	4.9
335.22067	1.6
351.21613	4.1
356.15674	1.2
529.87451	1.5
627.41626	1.4
645.43256	100.0
646.43542	10.3
654.69489	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05439	1.4
67.49688	0.6
81.06981	0.9
89.05959	0.9
91.97529	0.7
92.10245	1.6
95.08517	1.1
105.34614	0.7
115.89242	0.7
119.86867	0.8
179.68042	0.8
247.64488	0.7
315.19379	1.0
333.20276	6.9
342.23367	0.8
353.22736	2.9
475.92151	0.7
566.41638	0.9
645.43256	100.0
646.43951	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	645.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92986	0.2
67.05433	0.4
69.06984	0.3
70.06498	0.4
79.05399	0.3
81.06966	0.4
83.08561	0.4
86.66938	0.3
89.05914	0.6
95.08572	0.5
116.07079	0.7
119.08562	0.6
121.10090	0.4
131.35863	0.3
135.11688	0.3
145.10146	0.3
177.98970	0.3
200.37888	0.4
208.74506	0.3
237.11290	0.4
297.91129	0.3
317.20834	4.1
351.21390	5.1
351.25284	0.4
353.22983	1.4
441.19708	0.3
448.23782	0.3
512.73749	0.3
531.32751	0.5
557.34253	0.6
627.42316	1.3
645.43243	100.0
646.43585	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	646.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	1.4
55.01798	1.8
55.05444	1.4
65.03844	3.2
66.00465	1.5
69.86488	1.3
70.06503	1.9
72.08061	10.4
72.76144	1.4
75.04402	2.3
76.74192	1.6
78.04613	2.7
79.05383	2.9
81.03333	3.2
84.08085	1.5
85.02819	3.2
89.03825	7.8
91.05402	23.5
93.03326	9.6
93.06973	6.2
95.04889	8.7
103.05394	27.4
105.06946	3.0
106.04118	31.3
106.75937	1.8
107.04887	3.6
110.07117	2.2
111.04414	1.5
115.05434	2.2
117.03333	26.6
117.06960	2.9
118.03624	2.6
119.04865	19.4
120.05251	1.9
121.06448	31.0
125.05943	10.2
127.83070	1.7
131.04893	16.6
133.06372	2.1
134.03607	6.5
135.04404	1.8
137.05942	7.9
139.07510	2.6
144.71234	1.7
145.01697	3.5
145.02820	64.1
145.06421	1.8
146.03146	18.3
146.06006	2.7
147.03369	2.7
147.04387	38.9
148.04813	15.4
149.05946	55.9
151.03868	13.8
151.07544	3.2
153.05479	1.8
153.09048	9.1
160.05197	1.7
161.05954	3.1
163.03877	2.8
163.07452	17.6
167.07004	12.5
175.07486	3.8
176.04688	6.2
177.05426	100.0
178.05743	32.7
179.03316	11.7
181.04907	2.1
181.08533	14.5
182.09213	1.6
190.06223	2.3
191.06989	35.4
192.07680	3.2
204.10117	15.7
205.10493	7.9
207.06450	1.9
209.08047	56.6
219.06587	2.0
234.11162	17.2
235.11574	8.8
248.12584	2.1
248.14868	1.6
306.18900	3.2
307.19360	1.5
322.21335	2.1
323.21466	2.7
451.24271	2.8
452.24353	2.0
468.24683	2.9
469.25220	14.9
470.25464	6.5
481.24988	7.1
482.25107	3.4
498.25613	3.5
499.26147	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27550	0.7
58.50805	0.7
63.80256	0.7
64.33355	0.9
68.30834	0.7
70.06189	0.9
70.06509	12.7
72.08066	6.1
84.04430	1.4
84.08057	1.1
89.03821	12.4
91.05381	3.6
93.06943	0.8
117.03327	35.6
119.04889	2.0
134.03606	1.0
135.04393	4.1
137.05928	0.9
145.02818	92.9
146.03157	1.5
146.05978	1.2
147.04359	3.7
149.05949	10.5
162.03061	1.4
162.05391	1.8
163.03807	1.3
167.06998	0.9
175.03860	1.3
177.05420	100.0
178.05847	1.4
188.07034	1.2
191.07004	1.0
205.08578	2.0
207.06512	1.3
231.06537	3.1
248.08987	5.7
248.12704	9.6
282.02518	0.8
302.13837	3.3
315.84579	1.0
319.16367	3.8
320.14417	1.1
324.61682	1.0
453.19980	4.1
495.21124	23.7
546.33588	1.0
629.25061	11.2
630.24847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00227	0.5
54.81989	0.5
56.25589	0.4
63.02330	0.4
63.29619	0.4
64.95724	0.4
65.03883	0.6
65.05000	0.4
67.21694	0.4
69.03352	1.2
70.06506	2.6
72.08091	0.7
81.03343	4.6
84.04432	0.5
84.08076	1.3
85.02834	1.1
86.09663	3.9
89.03833	7.4
91.05408	11.6
97.02813	1.1
103.12291	0.7
109.02840	2.8
117.03334	27.8
119.04891	22.4
127.03792	0.9
134.03625	1.1
135.04398	2.9
137.06067	0.5
145.02829	86.3
146.03180	2.8
146.05988	11.0
147.04396	25.2
148.04704	0.8
149.05969	10.0
157.03943	1.1
158.17889	0.6
162.03183	0.7
162.05476	9.3
163.03860	1.2
174.05469	0.7
175.03888	35.8
177.05438	100.0
178.05814	4.2
179.07019	1.2
186.05533	0.6
190.04906	1.0
192.06551	0.7
207.06503	53.5
208.06851	2.0
244.52547	0.6
276.08618	1.1
279.16986	21.9
280.17352	0.7
282.02902	0.8
323.12360	0.8
351.10629	3.1
369.11716	2.3
369.18088	2.2
381.90027	0.6
411.44885	0.6
564.92706	0.7
585.98792	0.6
647.17627	1.1
647.28088	21.9
647.44000	7.1
648.27997	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	647.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03257	0.6
54.81775	0.9
62.01169	0.6
65.86342	0.7
76.60094	0.7
77.00835	1.4
77.52589	0.7
131.01898	1.2
134.45920	0.7
149.02914	0.9
150.54633	0.7
203.58540	0.7
215.11151	2.4
219.10944	0.8
223.08182	1.5
224.08849	1.5
225.09650	1.2
229.12793	1.3
233.06767	0.9
238.98605	0.7
239.66171	0.8
241.09157	10.1
242.09927	9.1
243.10625	3.8
243.14406	1.7
248.95851	0.7
259.10278	3.1
260.10916	2.8
279.14545	0.8
297.15332	1.4
305.19528	0.8
317.19299	1.3
335.21860	100.0
336.22119	3.8
352.63757	0.7
353.21704	34.2
354.21967	1.6
629.42041	1.2
647.43591	20.7
648.43640	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	647.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05460	0.5
52.39170	0.4
61.35966	0.4
67.90195	0.4
72.57624	0.5
88.10719	0.4
89.05958	0.6
89.21667	0.4
145.00368	0.4
155.80403	0.5
184.15019	0.5
196.73738	0.6
317.20871	4.2
335.21927	7.0
353.22946	4.4
394.07422	0.6
428.99292	0.5
629.43732	0.7
647.35339	3.7
647.44800	100.0
648.45135	16.3
654.66382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60503	0.5
70.40860	0.5
82.00244	0.5
90.33690	0.5
94.99049	0.6
107.44528	0.5
247.12857	3.8
251.12483	0.8
317.20941	2.2
335.21747	4.6
353.22964	12.5
526.89966	0.6
547.36780	0.5
647.44775	100.0
648.45142	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	647.449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95706	0.8
61.28223	0.8
70.06513	7.3
89.05998	1.1
116.07041	9.7
119.08543	5.9
140.20909	0.9
166.09532	1.0
208.49893	0.9
225.10788	0.9
233.90067	1.1
317.20892	3.8
335.21805	1.7
353.22916	10.3
521.34454	3.8
629.43658	1.7
647.44739	100.0
648.45160	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	647.449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80716	0.4
52.90687	0.4
54.81758	0.5
82.07982	0.6
92.25052	0.5
93.81274	0.6
118.87734	0.5
162.29749	0.5
335.21872	2.4
353.22849	2.2
494.64014	0.6
607.88599	0.7
629.44031	0.7
647.44830	100.0
648.45038	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34877	0.5
62.15443	0.5
70.83047	0.5
74.21580	0.5
81.06963	0.7
128.17174	0.6
149.02390	0.7
193.04988	1.1
219.10654	1.0
235.12935	2.8
243.14403	0.7
295.62677	0.6
335.21841	100.0
336.22333	5.0
337.23459	1.4
339.23300	0.6
353.21536	4.2
430.11893	2.3
643.20624	0.6
647.33514	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	647.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96870	1.2
54.84346	1.4
62.35122	1.5
140.97130	1.9
147.54846	1.7
186.98784	1.6
236.44562	1.7
335.21866	100.0
353.21588	2.0
516.39020	1.8
647.34308	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	647.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56427	0.4
53.42965	0.4
62.81073	0.4
66.56555	0.5
70.06535	0.5
77.00777	0.5
79.05363	0.5
87.44061	0.5
95.01891	0.7
188.92966	0.5
201.09740	0.7
219.10791	0.7
245.12076	0.6
257.12222	1.1
300.50803	0.6
317.19540	0.7
335.21854	100.0
336.21976	3.2
343.58911	0.6
353.06842	0.6
353.21622	15.5
354.21832	0.5
376.23422	1.0
458.14972	0.6
647.33588	1.2
647.43115	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	647.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07019	13.1
67.05437	1.0
78.69230	1.3
91.05424	2.9
93.06980	2.2
104.73605	1.2
105.06969	12.1
107.08579	1.4
112.80563	1.5
119.08543	18.2
121.06458	5.8
121.10099	32.1
128.60248	1.5
133.06409	1.4
133.10104	22.1
147.11671	25.4
160.08730	1.6
163.11116	1.6
175.11174	16.5
181.61133	1.2
283.16873	100.0
284.17139	1.6
339.23138	44.3
350.66586	1.4
391.41867	1.3
647.46875	3.1
651.68945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38113	1.6
57.06997	3.3
59.06032	2.0
64.91734	2.0
66.44553	1.5
67.05424	1.8
71.75847	1.8
131.61542	2.0
195.68515	1.9
333.00861	2.7
335.21857	4.4
335.94556	2.4
492.83502	2.2
547.39911	2.5
577.16888	2.1
647.37585	3.5
647.48419	100.0
648.49182	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	648.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	37.7
57.03365	33.7
57.97742	5.0
67.05428	100.0
69.06977	33.0
79.05391	64.3
81.06986	95.5
83.08510	10.4
91.05389	48.1
93.06966	76.1
95.08539	75.1
97.06448	8.6
105.06971	45.9
105.29039	6.5
107.08532	39.5
109.10098	28.0
117.06953	11.4
119.08523	25.9
121.10049	24.5
123.11556	7.2
131.08481	12.9
133.10054	13.9
135.11626	8.9
145.10144	8.9
147.11649	9.7
147.39778	6.2
148.53131	6.4
148.64435	5.3
148.65808	6.6
153.91309	6.1
159.11591	6.5
163.31248	5.8
259.20419	12.0
333.23859	7.3
337.27148	67.5
348.38345	7.4
351.25095	12.9
454.83716	6.6
524.50964	6.8
559.27448	7.2
613.48193	27.0
648.48053	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	649.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97152	0.2
51.02320	0.3
53.03865	0.4
58.86358	0.3
64.33784	0.3
72.08064	10.3
78.04622	0.5
79.05396	6.6
81.03319	0.8
81.06989	0.5
84.08070	0.4
86.09645	0.3
89.03830	5.8
89.10702	3.9
91.05401	0.7
94.04098	0.4
95.04881	1.9
98.05981	1.3
103.05426	0.3
106.04099	0.6
107.04891	12.7
107.74261	0.3
115.05410	2.2
115.08656	1.1
115.56251	0.3
117.03321	20.9
117.06989	0.6
118.03606	0.4
121.06438	0.4
122.03596	0.4
123.04373	1.5
124.05148	3.8
125.05942	1.6
134.03609	1.4
135.04381	1.3
137.05963	1.4
144.05666	0.5
145.02815	73.1
146.03156	1.4
146.06013	0.4
147.04398	1.6
149.05939	9.5
151.03862	0.5
152.04695	0.7
156.22351	0.3
160.05147	4.1
161.05867	0.5
162.05417	0.3
163.03902	0.5
167.05547	0.6
167.06982	22.7
175.07491	6.5
177.05423	100.0
178.05733	3.1
186.05402	0.6
187.07494	0.4
188.04642	1.4
189.05582	0.3
190.84137	0.3
201.05424	0.6
201.78740	0.3
216.04137	2.0
219.08232	0.4
231.06456	15.4
233.07925	0.4
234.06732	0.5
235.07332	0.5
247.07320	0.5
248.08342	0.4
248.12749	6.0
249.09286	0.3
250.06244	0.4
263.06903	0.5
264.07608	0.6
265.15390	37.1
266.15747	1.2
278.05365	0.4
292.07401	0.6
293.07874	0.6
295.09274	0.4
304.15271	1.2
307.09552	0.6
309.07101	0.4
323.08945	1.3
339.11993	0.5
348.39804	0.3
367.11859	2.2
385.12698	2.7
411.97980	0.3
438.02185	0.3
456.20090	0.6
473.22742	10.3
474.23199	0.4
499.20529	0.4
649.27582	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	649.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81881	0.9
72.08075	1.0
79.05404	2.5
81.03316	1.0
86.26056	0.9
89.03842	4.6
91.05400	1.1
93.10859	1.0
95.04881	1.1
103.05413	1.7
105.07030	1.0
106.04143	1.0
107.04933	8.2
115.05432	1.7
117.02675	1.0
117.03337	16.8
117.07033	1.9
121.02804	1.1
122.03600	1.1
123.04378	6.5
124.05178	2.1
125.05936	1.0
128.06136	1.8
129.06996	1.0
130.04060	1.4
131.04874	6.9
132.05696	1.8
134.03539	1.4
135.04463	1.4
140.04669	7.4
143.04839	1.8
145.02831	41.8
145.06458	5.8
149.05959	6.5
151.03850	1.7
152.04672	2.2
153.05434	1.9
155.07007	5.3
158.03592	5.3
159.04294	1.0
160.05159	1.4
167.07005	67.1
168.07394	1.8
170.03581	2.1
173.05983	13.6
177.03885	1.4
177.05450	36.7
179.08517	1.5
181.04919	1.4
183.06235	1.2
186.03125	7.2
189.06963	4.8
190.07739	1.6
191.06970	4.5
191.08511	1.8
193.06419	1.2
196.75897	1.0
198.03140	1.9
201.05437	100.0
202.05762	4.3
202.07520	1.1
203.07008	1.5
204.05811	1.6
205.06403	2.4
207.08035	2.1
213.05437	37.3
216.04112	4.8
218.07216	8.4
219.07971	6.7
220.05176	1.6
221.05934	7.3
231.06454	31.0
233.06010	1.8
234.06790	1.8
235.07500	9.6
236.08252	6.1
245.05864	1.7
246.06688	8.4
247.07497	13.6
248.08148	2.0
249.05394	11.2
250.06253	2.3
251.06920	2.4
252.07881	1.7
257.05923	2.0
260.04703	8.2
261.05338	6.0
261.08960	1.1
262.06128	2.2
263.06952	10.4
264.07791	16.2
265.08469	5.0
265.15381	5.4
269.18793	1.0
273.05453	1.1
274.06146	9.9
275.06989	21.9
276.07541	1.7
277.04913	15.6
277.08255	2.0
278.09183	1.3
279.09970	2.2
280.07291	1.9
281.08160	2.1
288.04095	7.7
289.04877	4.7
289.08435	2.3
291.06464	5.7
291.09647	1.4
291.13184	1.9
292.07260	24.1
293.07816	4.2
295.09579	4.0
302.05707	7.2
303.06473	38.6
304.06976	8.4
305.04459	15.6
305.07620	2.8
306.05307	1.5
306.08902	4.0
307.09558	13.5
308.06683	1.3
309.07635	2.3
317.08133	1.8
320.06744	34.1
321.07303	4.6
323.09036	2.3
324.09634	1.7
324.74576	1.1
335.09079	68.6
336.09500	5.5
337.07101	2.3
337.10684	1.8
352.09232	3.7
355.11768	13.8
367.11688	91.1
368.11917	5.3
385.12726	18.6
443.21777	2.3
473.22812	11.8
619.26251	5.0
649.26526	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	649.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00958	2.5
68.51234	2.2
70.06505	14.6
72.08056	12.4
79.05402	2.6
81.03301	2.8
83.32441	2.3
85.73310	2.8
89.03815	4.4
110.07130	6.5
117.03323	21.7
119.04855	4.2
131.04938	3.1
132.05634	2.9
140.04645	3.9
143.04968	3.8
145.02817	64.9
145.06517	3.4
146.06023	5.2
147.04379	4.8
149.04623	2.9
149.05940	9.7
153.05463	4.0
155.07147	3.0
158.03616	4.6
162.05438	4.2
167.06976	34.9
170.42009	2.8
173.06007	4.6
175.03862	3.7
177.05441	100.0
186.03018	4.7
201.05408	69.3
205.06427	3.6
207.08028	5.6
213.05495	18.5
219.07910	9.4
220.05098	5.3
221.05858	3.8
221.38173	2.6
231.06447	14.5
233.06006	3.4
234.06586	3.4
235.07463	17.2
236.08469	5.5
246.06648	3.2
247.07510	5.9
248.04646	5.7
249.05373	5.6
251.06956	6.7
252.07596	4.8
262.06149	3.7
263.06982	20.8
264.07724	15.7
265.15363	47.1
267.09933	3.5
274.06125	2.9
275.06973	5.0
277.04816	6.2
280.07275	5.6
281.07925	4.8
291.06604	4.9
291.13251	3.7
292.07074	5.2
295.09610	20.7
303.06549	21.8
305.04501	4.4
307.09708	4.1
309.07172	4.0
320.06793	16.7
322.08411	3.8
323.08960	18.7
335.09052	26.4
337.10541	15.8
355.11673	56.0
367.11703	31.9
385.12570	5.4
443.21619	39.3
619.26105	36.6
628.72571	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	649.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	0.3
54.81419	0.1
55.05438	0.1
57.07008	7.0
58.06517	0.4
62.06004	0.4
69.06961	0.1
70.06509	10.0
71.08179	0.2
71.08547	3.0
81.53844	0.1
85.10098	1.0
88.07549	14.8
92.10299	0.1
102.09109	4.2
106.08607	8.6
124.96411	0.1
177.05519	0.1
212.23691	0.4
230.24748	0.9
256.26285	6.9
257.26639	0.2
260.99008	0.1
273.08713	0.1
274.03543	0.2
274.27338	100.0
275.27667	4.5
284.49191	0.1
340.28207	0.9
486.39334	0.1
679.24701	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	650.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.6
55.01791	0.6
55.05444	0.4
57.03355	1.0
58.61491	0.2
61.02852	0.4
69.03049	0.3
69.03354	3.6
70.06516	0.3
71.04912	0.6
73.02831	1.3
76.40475	0.3
81.03335	9.7
83.04893	1.2
84.04420	0.5
85.02823	5.8
87.04378	1.3
90.29047	0.3
91.03894	0.3
97.02827	4.4
99.04380	1.1
101.02334	0.3
107.04861	0.4
109.02832	12.3
109.80503	0.3
115.03885	0.4
115.48839	0.3
116.04960	1.1
123.04379	0.4
123.41357	0.3
126.49213	0.3
127.03880	5.5
129.05418	0.3
130.04933	0.3
130.06516	3.1
131.06833	0.3
134.05919	1.9
144.04427	1.3
144.86330	0.3
145.04962	1.3
146.05995	1.8
147.04407	0.3
148.03897	0.6
150.05489	0.5
161.04767	0.3
162.05470	100.0
163.03799	0.3
163.05879	2.1
163.07211	0.3
167.06964	0.3
172.97255	0.3
183.06448	0.3
186.05466	0.6
190.04955	10.5
190.52357	0.3
193.04781	0.3
204.06561	2.7
208.06024	6.3
216.06252	0.3
232.05902	0.3
235.05797	0.3
261.70016	0.3
270.07520	3.0
298.07053	0.4
316.08136	5.4
320.78314	0.3
334.09161	3.4
352.10248	2.2
370.11072	1.3
478.13205	4.8
496.14154	0.5
514.15326	0.3
531.18628	0.3
608.76160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81629	0.4
57.06998	0.4
60.08093	10.1
67.05412	1.8
68.55328	0.3
71.07298	4.1
79.90469	0.4
81.06978	0.4
86.09629	46.9
98.98399	3.3
104.10687	2.4
109.10060	0.5
124.99963	33.1
143.01064	1.7
144.26807	0.4
178.41577	0.4
184.07310	100.0
185.07626	0.7
242.51530	0.4
245.43460	0.4
299.46707	0.5
308.63690	0.4
337.23331	0.6
521.62543	0.5
649.45129	2.6
650.44208	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	650.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81673	0.4
55.48037	0.4
56.28786	0.4
59.06057	17.1
60.05579	100.0
67.05437	0.8
74.80003	0.4
81.06971	0.8
87.91855	0.5
95.08546	0.7
95.43696	0.5
151.87776	0.5
192.72861	0.6
253.72504	0.5
380.01672	0.5
508.87964	0.6
577.97009	0.5
640.73718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.51
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.4
59.06060	12.3
59.06700	0.2
60.05581	100.0
61.05268	0.3
62.42176	0.2
67.05428	1.6
69.06991	0.6
71.52496	0.3
81.06983	1.4
92.10162	0.3
93.06972	0.6
95.08558	1.5
98.05897	0.3
109.10107	0.3
116.72129	0.3
120.45141	0.2
123.48476	0.3
132.24413	0.3
231.14595	0.3
264.00763	0.3
322.81296	0.3
396.63867	0.3
521.45563	0.6
650.44641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.51
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60643	0.7
55.77245	0.8
56.96394	0.8
57.06975	0.8
59.05764	1.0
59.06057	27.6
60.05580	100.0
67.05426	1.0
92.08427	0.9
92.10236	1.6
95.08474	0.9
138.45126	0.8
235.65744	0.9
256.73016	1.0
270.39066	0.9
420.29355	1.1
518.25098	1.1
519.87762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95631	1.0
53.00246	2.0
53.55474	1.1
55.01820	1.6
55.05451	30.0
57.03378	15.8
57.07007	8.0
61.58721	1.5
65.03851	1.6
67.05428	100.0
68.05741	1.9
69.06989	30.4
70.39866	1.3
71.08563	1.5
74.33286	1.6
79.05407	50.9
81.06974	90.4
82.07329	1.4
83.04899	1.7
83.08545	13.6
85.86218	1.1
91.05402	29.5
92.10342	1.8
93.06973	53.7
95.04893	6.6
95.08531	77.4
97.06464	3.1
97.10114	5.5
99.07973	1.5
105.06977	27.8
107.08537	30.3
109.06419	1.4
109.10112	19.6
111.07958	1.6
114.37667	1.3
117.06991	6.4
119.08529	18.6
121.10094	20.6
123.11653	5.7
129.06967	1.5
131.08528	13.2
133.10103	14.1
135.11646	13.6
137.29105	1.6
145.10149	10.7
147.11684	8.5
149.13232	9.0
159.11688	7.6
161.13196	8.0
163.14787	8.6
166.39339	1.4
173.13234	6.4
175.14781	3.0
177.16411	1.9
185.13188	1.3
187.14832	2.6
187.61259	1.4
201.16362	2.2
207.37645	1.6
217.19377	1.6
243.21059	9.9
245.22496	1.7
261.22079	12.4
314.40131	1.6
317.24475	2.7
335.25723	26.4
336.26212	1.8
337.27325	46.4
338.27646	1.6
440.49579	1.5
523.44934	2.5
597.48358	12.8
615.49774	35.5
616.49554	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	651.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67170	0.4
55.05439	0.5
63.02341	0.5
70.06506	1.1
72.08067	1.0
76.36398	0.5
79.05405	1.0
84.04404	0.7
84.95953	0.6
89.03844	15.0
89.10652	0.5
91.05409	2.6
103.05386	2.1
104.73649	0.5
105.06986	3.3
115.05399	0.5
117.03335	44.2
119.04899	3.1
121.06423	0.6
131.04871	0.5
133.06467	4.0
134.03613	3.6
135.04382	3.3
137.05981	2.9
145.02834	100.0
146.03166	2.3
146.05952	0.8
147.04416	3.7
149.05963	14.9
150.06682	2.0
151.03860	0.6
151.07649	0.6
161.06012	0.7
162.03053	0.8
162.05447	0.8
163.03946	0.9
165.09097	3.3
175.03879	1.0
177.05441	90.4
178.05945	3.4
179.07010	0.7
186.05392	1.0
187.07521	0.6
193.08589	25.9
193.10347	0.9
194.09343	5.6
215.06918	3.9
265.15387	3.6
268.05255	0.5
291.06369	0.7
322.59338	0.5
369.13266	1.3
440.19415	1.0
441.20029	3.2
457.23242	0.8
475.24219	2.8
534.37488	0.6
556.24371	0.6
651.36298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00255	1.0
55.05455	3.0
57.07014	49.7
58.07362	0.6
60.05571	2.7
63.49960	0.5
65.03860	0.6
67.05417	0.7
67.88965	0.5
69.06988	0.6
71.00502	0.6
81.06992	0.6
83.04900	14.9
83.08568	0.7
84.72035	0.5
89.73509	0.5
91.05402	7.9
93.06954	1.3
95.04915	0.7
95.08531	0.7
98.98384	0.9
105.06954	5.1
107.08549	0.8
115.05459	0.8
117.06984	1.1
119.08532	4.5
120.70330	0.6
121.10074	0.7
128.06200	2.4
129.06958	0.5
131.04880	0.9
131.08549	3.3
132.09303	2.2
133.10129	0.9
141.06979	8.7
142.07796	1.0
143.08551	4.2
144.05673	0.6
147.02045	9.5
147.08009	1.3
147.11671	31.0
151.01471	0.9
157.10107	0.6
159.01952	0.7
159.08014	9.8
165.03098	2.3
173.13625	0.5
175.01537	6.1
175.02875	0.7
187.03001	1.4
189.16245	1.1
205.04155	3.2
211.05112	1.3
213.16388	0.8
215.14284	6.2
223.05151	56.5
224.05487	2.4
226.98764	0.8
227.04605	1.2
239.04707	2.4
241.06116	8.7
241.19467	1.0
243.17416	2.3
243.51135	0.7
244.99701	8.0
271.20532	5.7
279.11411	17.3
297.12433	3.9
321.02850	5.3
335.17664	6.3
377.09207	4.8
397.05936	5.1
433.15366	11.6
453.12311	8.6
509.18500	15.5
510.19049	0.7
565.24762	13.2
566.25122	0.7
621.30945	100.0
622.31396	10.5
652.34290	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	2.3
54.52528	2.4
54.63838	2.3
55.05449	6.0
57.59012	2.2
59.04946	4.1
67.05429	6.2
67.31668	2.4
69.03353	5.3
69.07005	4.6
71.04910	2.9
79.05422	3.3
80.32817	2.0
81.06967	11.6
85.02838	12.9
93.06989	6.4
93.09496	2.3
95.08528	19.4
97.02871	3.5
97.06462	4.4
97.10109	11.9
103.64733	2.9
105.06987	17.6
107.08566	25.4
109.06440	3.7
109.10110	18.9
115.07565	3.6
119.08533	23.6
121.10092	23.2
123.11662	5.0
125.09618	14.3
131.08511	11.4
133.10130	13.3
135.11678	14.4
143.08542	9.3
143.10678	16.1
145.10091	13.6
147.04388	3.4
147.11681	17.3
157.10112	11.3
159.11668	21.0
161.13246	18.9
163.14803	4.5
169.10028	3.6
170.10902	3.3
171.11708	12.5
173.13239	14.5
175.14772	4.0
179.14247	5.0
183.11661	11.5
185.13228	50.1
187.14824	12.4
197.13260	5.2
199.14909	4.3
201.16295	3.2
211.14861	3.8
213.16348	3.2
219.17368	3.1
239.17918	9.4
279.21017	4.4
333.25183	2.7
419.33423	3.0
437.34012	38.8
438.34564	3.1
455.35098	100.0
512.23212	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	652.526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05764	1.1
59.06059	29.6
60.05581	100.0
67.44915	0.5
82.33264	0.5
123.68544	0.6
180.78654	0.6
327.40924	0.7
371.95471	0.7
456.11990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07018	3.5
57.23584	3.7
67.05419	8.6
69.75316	3.6
72.11995	4.1
75.11759	3.7
81.07000	5.2
85.04893	4.5
92.10925	5.6
109.76599	4.2
379.35797	4.0
653.47278	100.0
654.47308	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	4.0
55.01814	0.7
55.05443	0.4
57.03375	2.8
61.02847	0.4
65.07478	0.4
69.03010	0.6
69.03349	12.2
70.06495	0.7
71.04893	1.7
72.08067	0.5
73.02820	0.8
78.03368	10.5
79.05460	0.4
80.04938	2.6
81.03336	23.1
83.04931	0.3
84.04427	0.6
85.02344	0.6
85.02822	11.5
91.05419	1.6
91.29027	0.3
95.04893	0.7
96.04421	7.6
97.02830	9.3
99.04381	3.2
104.79308	0.4
105.06970	0.6
106.02860	69.3
107.03174	0.5
107.04900	10.0
109.02834	12.5
110.07104	0.4
119.04874	2.7
120.08034	0.4
124.03912	100.0
125.04267	1.6
127.03874	7.2
145.02843	2.5
145.04962	0.5
146.05972	1.9
147.04366	3.7
149.05939	0.5
162.05481	5.5
166.04970	1.6
167.07098	0.4
174.05385	0.4
175.03896	1.8
177.05446	3.0
190.04953	0.6
196.05972	0.5
207.06529	3.0
232.06026	1.5
250.07045	16.0
251.07361	0.4
268.08096	30.1
269.08395	0.6
277.13022	0.4
282.02618	1.7
315.04996	2.0
331.08014	3.8
374.58060	0.6
412.12317	2.2
430.13345	11.0
431.14261	0.7
517.52881	0.5
546.16357	3.0
564.17017	8.7
654.23578	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	654.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02328	0.6
52.98983	0.2
53.03885	2.7
55.01791	0.5
55.05421	0.3
57.03365	2.0
61.02856	0.5
69.03345	11.0
70.06509	1.5
71.04904	1.6
72.08060	0.3
73.02807	0.5
74.05959	0.3
75.88155	0.3
78.02906	0.4
78.03363	10.5
78.03794	0.4
78.86289	0.3
80.04923	1.7
81.03333	18.4
84.08112	0.3
85.02823	11.5
91.05386	1.6
95.04852	0.3
96.04414	8.0
97.02826	7.3
99.04372	3.4
106.02856	61.6
107.03212	1.3
107.04889	14.7
109.02828	10.9
109.03526	0.5
119.04888	1.9
121.02769	0.4
124.03907	100.0
125.04258	1.7
127.03859	6.7
129.11848	0.2
145.02844	1.5
146.06009	0.7
147.04370	3.2
147.48935	0.3
149.05981	0.3
150.05475	0.3
162.05452	4.4
166.04961	1.2
175.03839	0.7
175.67944	0.3
177.05371	2.5
190.04863	0.5
196.06030	0.3
207.06468	2.1
232.05908	1.5
250.07037	12.7
268.08084	34.6
269.08362	1.2
282.02707	0.4
315.04907	2.2
331.08142	3.7
374.12158	0.5
402.11691	1.7
412.12021	1.2
420.12793	1.2
430.13391	8.1
431.13510	0.4
462.13681	0.4
546.16016	5.0
547.16022	0.4
564.16992	17.3
565.17041	1.3
654.24036	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	5.8
54.28632	0.8
55.01797	3.7
55.05450	13.7
57.03368	1.9
57.07008	9.9
58.99523	3.5
62.70150	0.7
67.05428	35.6
69.03337	5.6
69.06981	14.5
70.06499	4.3
70.41743	0.9
71.04913	5.3
71.08550	17.7
72.08071	1.4
74.00571	5.6
76.01730	1.6
76.02139	24.7
76.03917	1.9
79.05407	20.4
81.03339	33.2
81.06974	23.1
81.38787	0.9
83.04898	6.3
83.06002	0.9
83.08544	3.7
84.04431	11.6
85.02845	6.7
85.03962	2.1
85.06476	3.9
86.09626	5.3
86.98959	1.4
91.05402	16.6
93.06966	28.9
95.04899	27.9
95.08531	25.4
96.04456	0.9
97.02809	2.2
97.06455	2.3
97.10114	3.5
99.08004	10.7
105.06980	10.6
107.04885	2.1
107.08532	11.9
109.02816	15.7
109.06452	4.5
109.10112	14.3
112.03923	1.1
115.08678	1.4
116.01653	10.3
117.06958	4.9
119.08550	10.8
121.10109	12.1
123.08011	2.0
123.11640	1.7
125.09589	1.8
127.03841	4.6
130.04958	9.1
131.04518	2.0
131.08528	6.4
133.06454	1.2
133.10095	8.1
135.08003	1.5
135.11650	5.4
137.09587	15.3
139.11143	2.1
141.09106	1.7
141.40845	1.1
142.03212	3.7
143.08539	1.1
144.01125	5.7
145.02794	1.6
145.10103	3.5
146.68564	0.9
147.04315	1.2
147.11661	5.9
149.09604	1.6
149.13260	2.0
151.11157	100.0
152.11520	2.0
159.11661	5.9
161.09607	2.1
161.13229	4.2
162.02145	9.8
165.12732	5.8
173.13290	2.1
175.14816	1.3
177.03279	5.5
177.05461	3.7
177.12761	8.1
179.04823	12.5
179.09087	0.9
184.41617	1.1
185.03802	1.0
185.13228	1.3
189.12724	1.1
191.14290	2.1
213.16025	1.3
219.13643	1.1
221.15250	2.2
233.05888	4.7
249.22089	1.4
257.18951	1.0
259.20444	1.6
275.19965	4.9
277.21567	45.1
293.21039	67.5
294.21341	5.4
295.22623	73.9
308.09052	23.1
385.23526	5.1
403.24500	3.6
421.26041	1.7
430.12451	1.0
445.72931	1.1
476.52527	1.1
477.55795	1.0
510.92877	1.1
579.25189	1.1
654.45129	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	654.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82310	0.6
55.05452	4.7
57.07013	40.9
60.38449	0.7
63.48283	0.6
64.04403	0.6
65.03860	4.0
67.96348	0.7
69.07009	0.7
83.04900	45.3
91.05412	8.8
98.98424	3.6
105.06961	6.1
115.05391	1.2
117.06934	1.3
119.08556	4.2
129.06987	1.0
131.08549	1.2
132.09317	3.2
133.10110	1.4
141.07016	8.7
147.07956	1.0
147.11665	39.2
148.11923	0.8
151.01553	6.9
159.08049	5.3
161.13297	1.0
163.01508	3.9
169.07620	1.4
175.01508	7.4
176.45787	0.8
181.02602	1.2
221.03653	1.0
227.04695	7.0
239.04665	9.5
260.99246	1.3
295.10818	1.1
321.74890	0.7
337.02289	56.3
393.08490	26.1
394.08688	1.4
413.05457	1.6
469.11627	12.0
518.63300	0.8
525.10535	0.9
525.17871	21.3
526.18011	1.6
581.24164	53.0
582.24280	4.2
637.30408	100.0
638.30933	13.0
648.13977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60303	0.5
54.39894	0.6
54.81532	0.7
55.05448	1.4
56.89142	0.5
57.06747	0.7
57.07010	20.0
60.82933	0.5
62.06003	0.7
62.57994	0.6
65.03867	0.9
65.90533	0.5
66.56750	0.5
67.05421	14.3
69.06976	1.2
79.05412	1.0
81.06964	4.2
85.06454	4.2
91.05398	6.0
93.06972	1.0
95.04861	1.1
95.08540	3.0
97.10123	0.8
98.98392	5.7
105.06940	1.4
107.08485	1.1
109.10145	0.6
119.08526	1.5
119.14920	0.6
121.10025	0.9
127.96530	0.6
128.06174	11.5
130.67285	0.6
133.06441	0.9
133.10089	1.2
140.99361	2.2
143.08521	11.3
147.11641	16.2
151.07527	0.8
151.11118	0.9
161.09590	7.6
161.13203	1.1
165.03088	100.0
173.03592	16.9
175.01547	2.7
183.04189	6.6
206.05762	0.9
221.07361	0.7
229.09779	3.7
231.87112	0.6
239.08311	5.0
241.06194	18.3
275.16251	1.1
286.92142	0.7
294.13129	0.8
297.12424	23.4
310.10236	0.7
320.21506	0.7
321.17017	1.4
337.02362	1.0
353.18710	35.2
354.19058	0.9
385.09195	0.7
525.21387	4.3
581.27954	8.9
637.34070	81.5
638.34253	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	654.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92965	1.1
53.03882	9.2
55.01810	13.3
55.05445	23.1
57.03380	5.6
57.07017	2.8
66.33781	1.2
67.05422	40.3
69.03342	17.0
69.06983	28.8
71.04908	3.7
71.08545	2.8
79.05398	21.1
81.03329	61.5
81.06971	36.0
83.04893	6.6
83.08525	11.4
85.02817	10.8
85.06449	2.2
91.05383	16.8
91.05768	1.1
92.10909	1.8
93.06960	27.8
95.04884	14.1
95.08534	33.3
97.02824	20.3
97.06448	6.4
97.10123	11.5
99.04391	11.1
104.17536	1.4
105.04513	1.6
105.06973	17.4
107.04906	5.7
107.08532	16.1
108.00156	1.5
109.02820	100.0
109.06468	2.8
109.10101	21.6
110.11526	1.6
111.04350	1.6
117.06972	8.9
119.04874	2.8
119.08542	16.5
121.06442	6.0
121.10081	13.4
123.08018	6.6
123.11654	2.3
125.09582	8.1
127.03873	28.3
129.06952	2.2
131.08543	8.9
133.06456	7.2
133.10074	7.5
135.04395	1.5
135.08015	1.8
135.11636	6.6
137.06017	2.0
137.09602	14.7
139.11092	10.9
143.08481	1.8
145.06497	6.0
147.08035	2.8
147.11671	6.8
149.05977	1.6
149.09636	2.0
149.13211	2.4
151.11165	7.3
153.12741	1.6
157.06444	1.6
159.11591	1.7
161.09607	3.2
161.13220	6.1
163.11113	2.8
165.09065	2.5
165.12709	6.1
171.11658	2.1
173.09544	1.7
173.11649	6.9
173.13126	3.3
175.11157	3.0
175.14868	1.7
181.12238	2.6
185.13248	2.1
189.12674	2.5
201.12759	3.1
203.14299	5.7
205.12279	2.1
207.13855	2.1
219.13824	2.5
221.15196	2.7
231.21040	1.7
233.15346	2.1
247.13344	2.4
249.22151	3.6
249.61234	1.7
259.20465	2.8
275.19943	2.6
277.21564	49.7
293.20862	4.7
295.22623	58.0
296.22836	2.0
313.23730	2.6
317.54745	1.6
337.23712	2.9
367.22437	6.8
375.25476	1.9
385.23651	10.5
403.24673	24.9
421.25623	19.0
439.26648	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	654.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	2.6
55.01805	2.2
55.05455	12.3
56.62380	0.8
57.03376	1.8
57.07010	4.7
58.99516	1.1
67.05429	28.6
67.39895	1.0
69.03345	10.7
69.06986	9.7
70.06522	1.6
71.04916	2.2
71.08548	11.8
76.02146	9.2
79.05421	15.7
81.03335	21.0
81.06976	21.6
83.04929	2.1
83.08522	1.9
84.04408	2.6
85.02827	8.7
85.06476	2.3
86.09624	2.4
91.05404	9.8
93.06983	26.1
95.04903	14.9
95.08531	18.4
97.02804	2.6
97.06464	2.0
97.10118	4.3
99.08025	8.2
105.06981	6.7
107.04890	1.7
107.08565	8.9
109.02824	6.5
109.06468	4.0
109.10100	11.2
114.36343	1.1
115.08702	1.4
116.01631	1.4
117.03331	2.2
117.07021	2.1
119.08538	6.2
121.10103	8.3
123.07990	1.0
123.11637	1.8
127.03885	7.2
130.05005	2.4
131.08545	4.2
133.10109	5.4
135.11711	2.1
137.09607	12.5
139.11168	2.5
145.02847	4.1
145.10118	1.7
147.04443	1.7
147.11684	2.3
149.13220	3.7
151.11163	35.6
159.11630	1.9
161.13281	2.1
162.02155	2.1
163.11177	1.4
164.39038	1.1
165.12686	1.4
173.13263	1.9
177.05458	4.8
177.12721	5.1
179.04764	4.1
179.14334	1.2
183.15019	1.1
190.21898	1.3
191.14201	1.4
213.16107	1.4
221.15347	1.7
249.22122	1.4
277.21558	45.9
278.21863	1.1
293.21072	24.5
295.22629	100.0
296.22968	2.5
308.09070	6.3
410.32828	1.1
421.25552	1.5
439.26843	2.3
465.43427	1.2
639.44836	1.2
654.44849	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	654.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	8.5
54.81281	0.7
55.01590	0.8
55.01809	8.2
55.05453	15.3
56.34319	0.7
57.03377	5.0
57.07006	3.3
58.65374	0.7
61.69767	0.8
62.89147	0.8
64.32874	0.8
67.05426	22.2
67.48647	0.7
68.53766	0.7
69.03349	11.5
69.06983	14.4
70.49852	0.9
71.04913	4.9
71.08539	1.8
77.84805	0.8
79.05400	16.2
81.02852	1.7
81.03334	51.3
81.06975	22.4
83.04899	5.2
83.08514	6.7
84.87537	0.8
85.02828	14.3
85.06478	1.9
90.44331	0.9
91.05399	9.8
93.06967	20.5
93.07517	1.2
95.04912	8.0
95.08531	19.6
97.02824	19.9
97.06475	3.4
97.10094	5.9
99.04390	11.0
99.08031	1.2
105.06982	8.9
107.04901	3.5
107.08516	11.3
109.02827	100.0
109.06464	3.9
109.10103	16.5
110.03168	1.6
111.04357	1.1
111.08060	1.0
117.06958	4.7
119.08527	7.7
121.06474	1.6
121.10095	8.8
123.04392	3.4
123.08012	4.1
123.11677	3.1
125.09583	4.3
127.03874	17.5
129.06958	1.9
131.08554	5.2
133.10089	6.9
135.04370	0.9
135.08014	1.0
135.11650	3.8
137.05876	0.9
137.09589	9.7
137.13219	0.9
139.11154	5.4
143.08577	1.7
145.04935	1.8
145.06454	0.9
145.10133	1.6
147.04398	1.2
147.08035	1.2
147.11667	5.4
149.05974	1.6
149.09569	1.2
149.13281	3.5
149.64153	1.0
151.11108	7.8
154.77255	0.9
155.10611	1.0
159.11696	1.4
161.13202	4.3
163.07452	0.9
163.11127	1.7
165.12688	1.9
173.11736	3.4
173.13226	1.6
177.05431	0.8
177.12642	1.0
179.14340	1.3
181.12241	1.6
185.13292	1.0
205.12219	1.1
219.13818	1.5
221.15372	1.6
233.15405	1.0
234.85646	1.1
241.19263	1.0
244.16696	0.9
247.13255	1.6
249.22032	4.5
259.20517	1.4
277.21555	38.5
278.21835	1.3
279.23166	1.4
280.53003	0.8
293.21054	4.6
295.22607	38.5
299.14673	1.1
307.22421	0.9
354.79764	1.1
367.22525	4.7
385.23550	10.2
403.24744	21.3
421.25842	4.3
439.27127	6.2
450.01761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81781	0.9
55.05447	12.2
57.07007	2.9
57.45058	1.1
59.04942	2.9
63.15930	1.0
64.33324	1.0
67.05432	22.2
69.03355	2.5
69.06990	22.5
71.04903	9.3
79.05413	9.1
81.06509	1.7
81.06975	39.9
83.04932	1.1
83.08539	9.2
84.96275	1.2
85.02827	9.4
85.06487	4.3
91.05418	9.6
93.06973	35.0
95.08535	73.1
97.02832	1.9
97.06445	6.0
97.10103	2.9
99.08014	12.0
105.06972	37.6
106.07378	1.3
107.08539	70.0
108.08895	1.4
109.06464	11.1
109.10103	59.2
111.08015	2.3
117.06950	2.5
119.08537	74.6
121.10096	56.2
123.08015	21.2
123.11661	33.6
125.09572	2.4
127.11143	13.9
131.08527	15.8
133.10095	56.2
135.08043	3.1
135.11658	61.5
137.09550	1.5
137.13234	8.1
143.08524	4.9
145.10095	30.9
147.11673	55.7
149.09639	5.1
149.13206	20.3
151.11131	1.4
157.10086	16.7
158.10802	1.5
159.11665	37.7
161.13220	44.2
163.11116	1.9
163.14769	16.3
169.10130	1.3
170.10814	1.8
171.11636	12.7
173.13239	19.6
174.13841	1.4
175.11089	1.9
175.14778	26.0
177.12601	1.8
177.16391	8.0
183.11537	1.8
185.13251	8.1
187.14792	13.7
189.16324	17.4
191.14276	6.2
191.17888	2.6
193.19461	1.6
197.13216	2.9
199.14790	12.5
201.12634	1.7
201.16356	14.7
203.14317	2.5
203.17900	24.5
205.15793	9.9
207.17429	2.8
211.14781	1.7
213.16354	9.5
215.17961	10.0
217.15845	36.6
217.19434	5.3
219.17381	16.1
221.19003	6.8
225.16406	1.4
227.17957	1.6
231.17377	7.1
233.19008	4.9
239.17805	1.6
241.19559	1.6
281.22574	1.4
311.13138	1.2
311.23676	1.7
341.28232	5.6
349.28827	2.6
353.28491	1.4
367.29889	30.5
379.33481	1.8
385.30902	1.9
397.34692	11.0
413.34137	12.1
415.35776	2.0
421.34525	39.4
422.34943	2.3
428.77457	1.3
439.35626	100.0
440.36053	6.0
457.36597	23.6
471.24164	1.4
475.38132	10.9
475.43689	1.3
497.29456	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	2.1
56.96503	78.8
57.07002	5.4
69.78669	0.9
70.00683	1.0
72.08067	1.7
72.17709	0.9
74.97512	1.5
83.04896	11.0
86.09646	1.1
95.30144	1.0
98.97505	1.7
104.10649	4.4
108.14878	1.1
114.36858	1.2
116.97814	1.1
116.98553	8.2
118.49036	1.0
129.02237	1.2
129.06973	1.7
131.03752	1.7
134.99649	9.3
146.87956	1.1
147.03282	9.0
147.08028	1.6
147.11682	1.6
147.58440	1.1
149.02348	2.6
149.04837	29.7
158.01154	1.2
159.44926	1.1
160.99042	1.4
165.04343	5.7
167.05899	23.5
172.18079	1.1
172.95262	1.4
175.01538	6.6
179.00084	5.3
181.02654	8.7
183.93372	1.0
184.00429	1.7
197.01196	53.4
202.54720	1.2
204.97815	1.2
215.02246	68.7
220.02719	2.0
222.99104	6.3
225.00616	1.3
227.04613	2.4
235.06348	2.2
238.03897	1.7
241.00153	31.0
253.07440	40.4
254.07677	1.5
259.01260	5.2
264.01819	1.3
271.08478	70.8
279.05270	11.3
283.01199	1.6
289.09546	1.9
294.10104	2.2
297.06403	100.0
298.06744	1.8
307.74103	1.1
313.11926	6.5
315.07471	20.2
320.07947	5.4
339.07361	8.1
377.12659	35.1
384.48975	1.3
395.13684	66.1
396.13898	5.4
418.15271	8.6
599.25482	8.8
655.30786	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	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	1.7
55.05452	0.4
56.04964	0.4
57.03380	0.6
57.50684	0.4
58.06538	4.2
61.02860	0.6
69.03357	4.0
70.06509	2.0
71.04896	0.5
72.08067	2.9
73.02852	0.4
80.72845	0.4
81.03337	2.2
82.06480	0.4
84.08064	37.8
85.02814	4.2
91.05367	0.7
92.63918	0.4
97.02842	2.2
98.09619	18.0
98.97545	0.4
100.07539	5.7
107.04896	2.6
109.02791	0.4
110.09644	2.1
112.11189	37.2
112.89829	0.4
113.07068	13.4
115.05405	0.7
116.98573	0.6
119.04908	2.3
119.39080	0.4
120.04878	0.4
120.05679	2.5
121.02836	0.8
127.03906	0.7
127.08627	3.1
129.13837	13.4
130.06476	0.6
139.39978	0.4
143.04926	2.2
144.05708	0.5
145.68823	0.4
147.04404	0.5
152.65781	0.5
153.10184	0.6
155.06831	0.8
155.11763	47.2
161.01175	0.5
162.05457	10.7
163.05864	0.8
165.06877	0.5
171.04370	4.6
171.14879	0.6
172.14493	0.7
184.14439	3.4
187.03969	0.5
190.05023	0.8
191.08525	2.6
197.12912	0.5
198.15982	8.4
207.08102	1.8
208.06047	1.7
209.09578	2.8
210.12341	0.7
212.17540	16.3
213.17964	0.5
219.01788	0.5
219.08012	7.5
223.07494	9.1
225.09166	1.7
226.08611	1.9
229.07620	0.9
229.20209	6.3
235.07535	3.8
237.09044	5.7
238.03880	0.5
238.15546	1.9
240.17014	3.9
244.09637	1.9
247.07440	7.0
251.06992	12.0
251.10616	1.0
253.08588	0.6
263.06900	3.5
264.01682	0.8
265.08521	14.6
278.03235	0.5
282.02786	4.1
290.08066	0.6
291.06400	6.7
306.02966	0.6
317.12097	5.9
318.12265	3.5
322.14276	4.4
348.12149	6.0
348.15924	0.7
350.13721	0.6
389.08688	0.7
419.19598	2.7
464.25381	0.5
476.25031	3.2
484.19171	0.7
493.27966	2.7
626.31036	3.2
638.30402	2.9
655.33215	100.0
656.33435	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	655.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04972	0.7
58.06535	2.8
58.81581	0.4
63.60583	0.5
65.03874	1.2
65.64525	0.5
69.03339	0.6
70.06512	0.5
72.04414	0.8
72.08089	1.0
84.08072	15.1
85.02837	1.0
87.44904	0.5
89.03857	2.6
91.05410	35.7
97.02862	0.6
98.09645	7.1
100.07544	12.3
107.04910	3.1
108.05722	1.2
110.09615	4.6
112.11201	21.9
112.11947	1.0
113.07085	8.0
117.03336	8.0
119.04214	0.8
119.04900	78.0
120.05687	79.1
121.06007	0.5
129.13821	6.4
131.04916	0.8
133.02837	3.0
135.04405	3.1
138.21997	0.5
145.02835	13.7
146.03609	19.5
147.04390	0.7
153.10222	0.7
155.11769	36.8
158.82437	0.5
161.02345	2.5
163.03873	4.0
169.13379	0.6
191.08583	2.0
194.07251	0.7
195.08020	1.1
201.11414	0.6
209.09541	0.8
212.17548	4.1
219.08122	2.9
223.07613	2.7
225.09129	0.9
229.20203	8.2
237.09029	4.0
247.07481	5.6
249.62776	0.6
250.08566	0.8
251.06964	14.6
253.08516	6.6
263.06976	2.1
265.08545	90.5
266.08954	2.6
267.10095	1.2
269.08032	7.1
291.06451	1.0
293.08023	0.6
308.12906	0.9
322.14316	6.9
347.13574	0.9
348.12271	2.1
348.15979	3.9
358.44315	0.6
365.24472	0.6
366.17020	2.3
393.21567	0.5
419.19601	6.3
450.23526	0.9
464.25391	3.4
475.26331	0.6
476.25708	2.2
493.27991	10.5
612.28906	0.8
626.30469	0.7
655.33252	100.0
656.33502	8.1
678.65393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71102	0.4
55.05444	1.0
67.05417	4.2
68.81882	0.5
69.06966	0.9
69.17747	0.6
73.95322	0.5
79.05432	0.7
81.06973	4.1
83.08537	0.7
85.67551	0.5
93.06974	0.9
95.08511	2.8
119.08559	0.7
121.10075	0.7
123.11742	0.6
174.16754	0.6
301.20984	0.7
319.22342	1.4
432.53824	0.6
469.60632	0.6
655.48914	100.0
656.49170	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40201	0.7
54.81849	0.8
55.69194	0.8
60.96032	0.9
65.03854	4.3
68.39960	0.8
69.06988	0.9
81.06956	1.0
84.73909	0.9
91.05421	1.2
95.04913	1.0
105.48160	1.0
107.08480	0.9
109.10069	1.4
121.02852	1.3
139.03886	4.9
149.02335	100.0
149.03421	8.1
150.02692	1.2
191.51314	0.9
193.04935	80.8
194.05310	1.4
237.07516	25.3
341.06525	4.9
359.07578	1.8
385.09082	12.2
403.10095	1.3
429.11700	10.5
473.14285	3.9
571.56842	1.0
577.12665	1.3
609.11487	1.0
621.16022	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	656.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03868	1.6
54.85597	1.0
55.01798	1.5
55.05443	2.1
57.03373	18.8
59.35155	1.1
59.58759	1.0
61.02847	1.5
69.03351	9.3
70.06501	8.7
71.04909	87.6
72.08067	2.0
73.02819	2.8
73.08759	1.2
75.04380	5.0
81.03324	6.4
83.04892	8.7
84.04424	2.5
85.02826	100.0
87.04364	1.6
91.05413	2.5
92.10934	1.5
95.04858	1.5
97.02831	10.2
98.05972	1.6
99.04368	2.1
103.03863	1.2
103.05385	1.2
106.02846	5.0
107.04903	2.8
107.31251	1.2
109.02810	1.8
110.07114	2.3
111.04388	6.4
117.03322	2.4
119.04887	2.7
121.02772	1.3
122.03638	1.6
123.78886	1.2
124.03914	10.0
127.03861	1.9
128.06161	2.0
129.05440	18.6
129.06966	21.4
129.51335	1.2
131.04861	2.8
137.05949	39.6
145.02838	2.6
145.06349	4.2
146.05971	5.2
147.04376	8.2
147.06429	6.8
157.06468	23.8
158.07162	1.5
160.05130	1.6
162.05397	9.9
163.07426	1.4
174.06729	14.0
175.03819	1.6
175.07491	7.0
177.05428	7.2
187.07407	2.8
189.09076	58.3
190.09410	2.4
207.06548	1.8
207.10132	26.2
219.10057	4.4
282.02747	2.3
299.12714	1.5
306.58575	1.4
332.08502	1.8
398.71579	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45276	3.0
54.31865	3.5
55.05448	17.5
57.07023	7.2
60.34900	3.2
61.02852	5.7
62.20345	3.0
63.04994	3.4
67.05428	26.0
69.03354	18.6
69.06997	47.9
71.04893	7.5
74.76762	3.8
79.05434	6.1
81.03345	7.3
81.06976	70.9
83.08533	20.6
85.02834	71.0
91.05408	7.9
93.06980	42.9
95.08531	100.0
97.02851	8.1
97.10088	6.7
99.08020	4.6
105.06970	43.5
107.08534	74.0
107.77633	4.0
109.10117	88.2
117.06956	4.6
118.12341	3.9
119.08527	74.7
121.10101	78.3
123.08163	4.5
123.11651	46.1
127.03893	5.6
127.11175	9.1
131.08511	20.2
133.10123	62.3
135.11682	56.7
137.13182	7.0
139.11148	5.0
143.08548	4.2
145.10089	38.7
147.11646	46.2
149.13252	34.2
157.10153	6.1
159.11655	41.0
161.13232	26.1
163.14760	9.8
171.11615	6.1
173.13266	10.2
175.14740	18.9
177.16350	8.9
187.14853	26.3
189.16350	47.1
189.17847	4.4
191.17899	8.6
201.16373	27.1
203.17972	23.6
205.15863	27.3
215.17923	17.9
217.17587	5.1
217.19409	28.8
229.19841	5.0
233.18967	5.0
299.03613	4.5
304.04080	4.2
423.36078	83.8
424.36227	6.6
429.57028	4.5
441.37283	68.2
442.37231	8.2
459.38214	8.0
642.34229	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	656.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43487	0.7
53.00257	2.9
53.03878	3.7
54.81666	0.7
55.01810	6.9
55.05453	28.9
57.03362	3.5
57.07015	9.5
58.32663	0.7
67.05426	60.1
69.03347	6.3
69.06608	1.0
69.06989	29.8
70.07307	1.0
71.04906	22.1
71.08547	11.6
73.06458	1.7
79.05408	43.4
79.05869	1.7
81.03336	28.6
81.06973	55.9
83.04893	12.4
83.08549	13.4
85.06464	5.9
87.04411	0.9
91.05407	24.1
92.10911	1.3
93.06969	60.3
94.07299	1.1
95.04890	31.9
95.08532	44.8
96.08865	0.9
97.06455	11.4
97.10103	12.4
99.08040	8.0
101.05880	0.8
105.06966	19.1
106.85177	0.8
107.04895	5.3
107.08536	26.5
109.06472	9.7
109.10105	25.9
111.08035	1.8
117.06980	6.5
119.08532	17.7
121.06480	1.7
121.10101	31.0
123.08024	4.6
123.11665	6.7
125.09614	1.7
129.06961	4.0
131.08542	8.2
133.10092	16.0
135.07997	1.8
135.11676	12.1
137.09592	21.8
137.13219	1.0
139.11180	7.7
143.08540	4.4
145.10107	3.9
147.11641	10.5
149.09644	1.0
149.13232	7.0
151.11156	21.2
155.08690	0.9
157.10091	2.0
157.99277	0.9
159.11679	4.5
161.09579	1.3
161.13210	6.7
163.11180	7.1
163.14819	1.2
165.12737	1.7
167.10683	1.0
171.11627	1.6
173.13240	3.4
173.19905	0.8
175.01540	2.0
175.11121	1.1
175.14816	3.9
177.12657	1.2
179.14291	1.7
185.13226	1.7
191.14180	1.8
193.15935	1.5
199.14793	3.2
203.12712	3.6
221.15273	6.3
231.21017	1.0
241.19527	1.9
249.22089	5.5
259.20435	3.6
267.12314	1.4
277.21561	100.0
278.21939	4.2
287.23666	1.9
289.21646	1.5
295.22617	97.2
296.23029	2.0
305.24628	1.5
309.24203	9.4
453.33591	4.1
461.35992	2.0
471.34628	7.2
489.35663	17.4
521.37457	1.3
603.46564	2.8
657.38556	1.2
657.49902	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	656.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	2.0
53.03900	1.9
55.01814	16.8
55.05219	2.1
55.05451	31.8
57.03365	3.1
57.07003	7.8
57.07262	1.3
59.73355	1.3
62.87072	1.3
67.05428	100.0
68.05762	1.4
68.56741	1.3
69.03365	2.4
69.06986	40.7
71.04541	1.6
71.04910	26.1
71.08559	11.1
79.04961	2.5
79.05408	58.5
81.03314	8.8
81.06976	63.0
83.04899	10.2
83.08545	20.7
83.46819	1.7
85.06463	5.7
91.05405	46.6
93.06971	67.8
95.04904	20.5
95.08535	47.6
97.06462	42.6
97.10090	11.8
99.08028	6.0
105.06979	27.7
107.04861	3.1
107.08533	29.5
108.55977	1.4
109.06477	9.6
109.10108	29.4
111.08038	13.8
111.11652	1.5
117.06963	17.5
119.08556	25.3
121.10105	20.9
123.08032	6.5
123.11668	3.8
125.09585	2.9
129.06944	6.1
131.08539	16.3
133.10117	18.2
135.08002	3.3
135.11649	10.8
137.09602	21.4
139.11137	11.6
140.98997	1.6
145.10097	2.9
147.11650	13.2
149.13225	19.4
151.11131	13.9
157.10120	2.1
159.11681	13.3
161.13220	11.4
163.11174	3.1
165.09071	2.7
165.12708	7.5
167.14301	2.6
171.11693	2.8
173.11667	7.0
173.13118	1.8
175.11185	2.0
175.14684	2.2
177.12674	17.7
179.14244	3.6
181.12248	3.0
185.13150	3.3
189.11122	1.9
193.12167	2.3
195.13815	3.0
209.15329	12.8
213.16397	1.7
221.15312	1.8
231.20905	1.8
241.19440	6.2
249.22119	7.8
259.20560	3.8
277.21530	69.8
278.22067	2.0
291.23199	2.1
295.22607	45.0
296.22995	2.0
309.24185	21.5
471.34827	15.8
489.35535	15.6
503.37527	1.8
521.38098	8.5
603.45654	3.6
677.65173	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03860	0.9
55.05448	1.0
55.46791	0.8
57.43296	0.8
69.03344	1.8
69.06990	1.4
70.06508	4.5
72.08054	7.0
75.95339	0.8
76.42566	0.8
78.87379	0.8
79.05409	6.0
81.03329	5.6
89.03815	7.0
89.10675	1.1
91.05393	3.9
95.04901	1.1
95.30492	1.1
97.02814	1.4
105.03354	1.6
105.06914	1.2
107.04893	11.7
107.08560	1.2
109.02798	3.3
117.03326	19.7
119.04902	3.7
119.08525	1.0
125.05957	1.1
128.06157	4.0
129.06964	1.8
135.04393	1.8
142.07816	1.6
143.08525	8.4
145.02812	71.3
146.05997	1.9
147.04355	1.5
149.05928	6.4
152.88933	0.9
157.10060	6.6
162.05443	1.5
170.10817	1.5
171.07971	10.1
177.05418	100.0
178.05717	3.3
183.79369	0.9
185.09563	1.4
185.13255	5.4
186.05493	1.4
195.11594	1.2
198.10301	3.4
200.17067	0.9
207.06371	1.0
213.12695	86.1
213.43571	1.1
214.12962	2.0
222.74097	0.9
231.13753	5.9
248.12753	4.6
249.14915	1.0
265.15390	29.9
266.15619	1.4
330.07022	2.0
357.16748	6.9
375.17892	6.8
375.39352	1.0
376.18436	1.2
554.74005	1.0
639.32703	15.1
640.29004	0.9
658.29248	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	657.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	0.2
58.06509	1.1
65.03842	0.4
65.81412	0.2
69.03339	0.3
70.06487	0.2
72.08053	0.3
80.12608	0.1
84.08062	5.9
91.05396	5.8
93.04836	0.2
97.02791	0.4
98.09623	2.8
100.07550	2.2
107.04890	3.5
110.09615	0.3
111.30109	0.2
112.11182	10.9
113.07082	0.7
119.04889	18.5
120.40721	0.2
123.49427	0.2
129.13835	5.8
136.41330	0.2
144.86263	0.2
147.04379	100.0
148.04692	2.4
155.11758	3.9
162.05440	0.2
162.09023	0.3
169.13329	0.2
203.11775	3.6
204.10162	13.5
205.10513	0.3
214.19179	0.2
218.11679	0.4
228.73972	0.2
229.20198	0.2
251.77759	0.2
254.65041	0.2
275.17505	2.8
301.15469	1.1
349.25629	0.3
360.23224	0.2
366.15356	0.2
371.24356	0.2
375.23764	0.4
393.31805	0.2
421.20734	0.3
437.22766	1.1
511.30832	0.3
522.28259	1.0
537.28998	1.6
612.75781	0.2
657.34784	38.9
658.35223	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	658.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81748	0.7
55.05445	1.4
57.07005	12.8
58.06525	3.6
62.72500	0.6
67.05421	3.2
69.06975	1.2
70.06506	25.5
71.08533	4.9
76.56512	0.8
78.12391	0.8
81.06982	1.1
81.98433	0.7
83.77837	0.7
85.10081	0.7
85.43228	0.8
87.36847	0.7
87.91677	0.7
88.07552	30.6
93.06939	0.8
95.08545	1.0
95.70456	0.9
102.09114	24.9
111.32197	0.8
130.17950	0.9
131.04851	1.1
137.95486	0.9
146.53584	0.8
149.02316	55.0
175.03964	1.4
177.05467	0.9
193.04924	72.5
194.05333	1.3
219.06523	1.5
235.92662	0.9
237.07509	21.8
249.67157	0.8
256.26273	55.0
257.26614	1.8
266.30411	0.8
269.04575	1.2
294.71643	0.9
297.03894	1.8
302.30325	1.0
303.30884	1.2
309.97824	0.8
313.07040	3.7
341.06537	14.3
359.07632	7.1
385.09088	26.0
427.43137	0.9
429.11719	36.0
430.11838	1.6
601.16089	0.9
658.35669	100.0
659.35962	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	658.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07013	6.1
58.06532	0.3
62.06017	0.2
69.84985	0.2
70.06509	8.7
71.08546	3.8
72.08057	0.2
74.37303	0.1
88.07556	15.2
102.09119	4.3
106.08620	8.0
117.03344	1.2
119.78712	0.2
145.02852	3.6
149.05962	0.4
156.17290	0.2
174.18510	1.1
177.05437	4.6
200.20064	6.1
218.21121	100.0
219.21513	2.2
226.40193	0.2
265.15442	1.1
290.09668	0.2
441.20129	0.9
678.40808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04038	0.1
53.00241	0.2
54.19721	0.1
55.05454	0.1
55.18150	0.1
57.07010	4.9
57.12634	0.1
58.06523	0.5
60.04446	0.1
62.06019	0.5
62.90411	0.1
67.26158	0.1
68.04919	0.1
68.95451	0.1
70.06511	9.3
71.08546	3.9
72.08085	0.2
74.05978	0.2
85.02837	0.1
85.10128	0.1
86.05985	0.1
88.07556	15.7
88.64147	0.1
89.03814	0.1
92.10313	0.1
96.99544	0.1
102.09121	4.5
104.07056	0.1
106.08615	8.9
116.08643	0.1
117.03333	0.4
119.04910	0.1
145.02831	1.5
146.03040	0.1
146.06009	0.3
147.04436	0.1
149.05934	0.1
156.17461	0.4
162.05455	0.2
167.26570	0.1
174.18497	0.9
175.03870	0.1
177.05441	2.1
200.20067	7.1
201.20308	0.1
218.21121	100.0
219.21481	1.8
248.12807	0.1
265.15384	0.5
267.92725	0.1
282.02774	0.1
355.56320	0.1
441.19931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	0.3
55.01793	0.8
60.95913	0.4
65.03865	6.4
67.05418	2.9
69.03329	1.7
70.06497	0.7
72.08054	0.6
76.40269	0.5
76.55718	0.4
77.91783	0.3
79.05401	2.8
81.03310	0.6
81.06954	0.6
82.00468	0.4
82.04096	3.1
85.02827	5.0
91.05416	3.7
93.03325	0.8
95.04903	3.3
97.02825	0.6
97.06456	2.6
103.05388	0.5
105.06953	2.5
107.04922	4.8
108.02033	1.5
109.02882	0.4
109.06435	0.5
110.03601	3.5
111.04405	3.6
115.05424	3.4
117.03321	3.0
117.06960	2.5
119.04887	0.9
119.08534	0.8
121.02772	0.5
123.04390	1.5
124.05206	0.5
125.05949	2.9
128.06151	0.6
129.06987	1.6
131.04880	1.8
131.08502	0.5
132.05676	0.6
133.02837	0.5
133.06427	2.5
135.04391	0.6
137.05945	2.3
138.03098	2.7
139.03850	0.7
140.04648	0.4
142.02557	2.0
142.55093	0.4
143.04903	1.5
144.05666	0.5
145.02797	7.1
145.06450	3.5
147.04362	2.2
147.08057	3.1
148.22217	0.4
149.05971	1.7
151.07465	0.4
153.05443	2.3
157.06369	0.5
160.05164	0.6
161.05942	6.2
162.05392	0.7
163.03859	0.5
165.05464	1.6
167.06996	9.2
170.02104	0.5
171.06493	10.6
172.05167	0.8
173.05896	2.7
175.03859	1.6
175.07474	3.1
176.04681	0.5
177.05435	11.4
178.05853	0.5
181.04918	100.0
182.05264	2.6
185.05936	0.5
187.14761	0.6
189.05455	1.6
190.06232	0.9
191.06920	2.2
191.08510	0.6
193.04886	0.5
193.08551	1.9
195.06543	0.5
200.04636	0.5
201.05411	0.5
203.06964	0.5
205.08554	1.6
206.05594	0.6
207.06476	2.0
207.10155	2.0
215.14255	2.1
217.08540	1.9
218.05666	0.7
219.06471	2.4
221.06042	0.8
221.08049	3.4
225.07388	1.1
226.08035	0.7
231.06375	0.5
233.05910	0.7
233.07996	6.1
235.07501	1.1
235.09518	4.8
237.09134	0.4
247.07561	0.5
250.06224	0.8
251.06779	0.5
261.07501	0.9
263.06839	0.6
264.07584	0.6
265.15417	0.9
276.07770	0.5
279.06158	0.4
279.08618	5.1
281.08072	0.7
282.02768	0.5
293.08139	0.6
311.08777	0.7
330.07156	1.9
339.08719	0.6
353.10223	2.5
353.64331	0.5
359.11093	0.7
377.19388	0.4
385.12857	3.5
401.12070	2.8
403.13806	1.0
415.08420	0.6
415.13834	14.6
416.13977	0.5
433.14890	2.5
540.17499	0.4
563.64520	0.4
579.18695	0.5
591.99146	0.4
641.21869	2.4
641.32440	0.5
658.29382	0.8
659.29095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49744	1.2
67.05438	1.4
68.95072	1.3
74.12193	1.7
89.05969	7.7
92.10316	2.2
92.64552	1.7
129.95488	1.5
138.28442	1.5
385.04852	1.6
658.50983	3.6
659.28687	100.0
659.40649	5.6
660.28821	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	659.3253
Annotation	Ajugaside A
Peak:m/z	Relative Intensity
54.81477	0.7
58.88181	0.6
64.97466	0.7
70.40136	0.7
92.10858	0.9
117.03361	3.0
145.02815	6.1
171.91966	0.7
177.05481	5.6
181.04980	1.0
219.06508	1.0
241.09233	3.0
242.10002	1.8
319.21481	0.8
335.21490	3.3
337.22290	3.9
353.21588	7.7
354.22250	0.9
355.23248	1.0
377.22766	3.5
395.22549	5.5
407.23831	10.1
437.25156	9.4
479.26028	21.8
480.26389	1.3
497.21075	1.1
497.27100	63.6
498.27829	5.5
659.32367	100.0
660.32574	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	659.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85604	0.4
54.81950	0.4
54.92812	0.3
57.28712	0.3
79.09937	0.4
80.14889	0.4
85.94427	0.4
165.49913	0.4
181.21266	0.5
183.61383	0.4
192.07388	0.4
212.14664	0.4
254.69229	0.5
280.01868	0.5
560.47461	0.6
629.36530	4.1
659.41168	100.0
660.41492	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	660.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00255	0.2
53.32247	0.2
55.01801	0.2
55.94580	0.2
63.21112	0.2
65.03864	1.6
67.05410	0.9
69.03345	1.2
70.06503	1.2
72.08067	1.9
73.25832	0.2
75.33849	0.2
79.05419	2.0
81.03310	0.4
82.04124	0.5
83.61273	0.2
84.08064	0.4
85.02826	1.5
89.03861	0.9
91.05385	0.4
93.06980	0.3
95.04896	0.9
97.02823	100.0
97.06472	0.4
98.03159	1.5
105.06965	1.0
106.45004	0.3
107.04903	4.9
108.32422	0.2
109.02811	0.3
109.06476	0.4
110.03625	0.3
110.07141	0.3
111.04398	0.4
112.11174	0.2
117.03327	3.5
119.04864	0.3
121.02806	0.9
124.03963	0.3
124.05154	1.0
125.05962	1.6
130.06516	0.3
133.06456	1.4
134.03625	0.3
135.04382	1.0
137.05972	0.8
138.03160	0.2
142.02600	0.4
145.02820	11.6
147.04378	1.1
149.05972	1.4
150.03053	0.5
151.03902	1.1
153.05371	0.6
153.08141	0.2
161.05952	2.4
162.05496	0.4
165.05437	2.7
165.90968	0.2
168.04231	0.5
171.06483	2.8
177.05434	14.9
181.04916	34.7
182.05251	0.9
189.05370	0.5
193.04929	2.5
193.08585	0.9
196.03650	0.4
205.04900	0.3
205.08606	0.4
206.05768	0.5
207.06494	0.3
211.05977	27.8
212.06367	0.9
219.06483	0.5
221.08017	3.0
231.06592	0.2
233.08113	0.9
234.11208	4.3
248.12822	0.3
249.07538	5.6
257.79642	0.2
277.07007	11.5
295.08054	5.2
305.18622	0.4
313.09210	2.9
322.21121	0.4
391.62524	0.3
409.67502	0.3
484.26447	1.4
498.25955	0.9
643.28552	0.3
660.20465	0.4
660.31018	4.3
689.64838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81241	0.2
54.81491	0.3
65.26900	0.2
79.05390	0.5
80.80933	0.2
83.81622	0.2
85.02828	0.5
92.19412	0.2
93.06980	1.0
95.04950	0.2
101.24183	0.2
103.05401	4.9
107.04887	1.7
111.04401	1.2
113.82214	0.2
116.98610	0.2
120.08054	100.0
121.08395	2.7
128.65556	0.2
131.04880	3.1
134.99689	0.3
139.03859	2.2
149.05962	1.4
166.08595	27.8
167.08932	1.0
170.05760	1.0
171.06482	3.2
198.57512	0.2
237.02608	0.2
514.41583	0.2
602.16467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	2.8
55.01806	4.8
55.05453	38.6
56.01131	2.1
57.03371	24.1
57.06736	3.3
57.07010	71.1
64.45323	2.5
67.05421	76.9
69.06984	36.8
71.04887	9.8
71.08544	62.0
79.05408	32.4
81.06968	90.2
83.08531	40.3
83.55912	2.5
85.10107	26.4
89.05962	3.9
91.05403	26.9
92.10839	4.2
93.06427	3.8
93.06976	47.4
95.04890	6.0
95.08532	53.8
97.06459	4.7
97.10077	20.7
99.08011	12.6
105.06950	6.4
106.07132	2.9
107.08528	34.9
109.06566	3.3
109.10098	35.0
111.11626	3.0
113.09528	4.6
117.06966	5.2
119.08556	5.6
121.10088	11.3
123.11598	5.5
125.09630	11.4
131.08543	4.6
133.10089	10.3
135.11591	6.4
137.13188	2.7
147.11661	3.7
149.13232	13.6
151.11136	4.6
159.11656	5.4
173.11803	3.8
179.14288	3.5
227.12743	20.2
229.14276	10.8
269.17432	40.2
277.21530	19.8
313.27307	82.6
351.25211	18.9
358.05215	2.8
369.26254	3.9
451.04959	3.0
467.37119	13.6
507.33185	5.4
507.40222	100.0
589.48212	19.4
607.48627	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59289	2.6
53.00256	3.3
55.01820	4.0
55.05451	32.9
55.83827	2.7
57.03372	4.7
57.06768	3.2
57.07014	48.6
67.05431	23.9
69.06979	18.4
71.08550	51.1
72.08076	4.9
79.05407	7.1
80.91110	3.0
81.06977	40.0
83.08546	24.3
85.10109	20.7
89.05933	4.1
91.05393	5.9
93.06961	13.9
95.08524	28.7
97.10110	26.2
99.08040	5.5
105.06985	4.6
107.08524	11.4
109.10088	6.1
119.08535	6.3
121.10117	5.5
125.09593	17.7
135.11652	4.2
149.13252	3.7
151.11172	7.2
161.13121	4.7
189.11168	6.8
196.87102	3.9
200.15700	3.4
214.06714	2.8
255.34213	3.2
277.21503	25.7
283.16849	11.9
295.22595	5.7
313.27298	100.0
314.27573	4.1
507.40500	22.6
618.79041	3.4
661.42657	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	661.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02289	0.4
68.67689	0.5
69.03313	0.4
70.06506	2.1
72.08063	6.1
76.55835	0.4
78.21766	0.4
79.11819	0.4
84.08073	1.0
89.03836	2.1
89.10701	2.9
97.02823	0.5
98.05981	1.7
110.07170	0.5
117.03316	10.3
135.04396	0.7
145.02829	57.4
146.03156	0.9
146.05980	1.0
149.05978	4.8
162.05566	0.8
162.22241	0.5
163.04019	0.5
177.05435	100.0
178.05757	2.1
248.12762	6.2
265.15405	36.9
266.15643	0.7
266.57770	0.5
282.02878	0.8
590.16962	0.4
640.16510	0.5
660.37634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62877	3.0
55.05438	4.4
60.43806	2.4
67.05421	7.5
69.06990	4.9
71.08570	3.7
79.05402	3.9
81.06965	5.5
83.08531	3.3
85.50808	2.7
86.63562	3.1
91.05421	5.1
93.06970	6.1
95.08527	5.1
99.08026	3.3
109.10148	3.0
151.11131	6.0
248.37138	2.9
277.21588	3.8
295.22562	5.5
298.15625	3.1
317.20630	3.7
346.96756	3.1
367.09305	3.2
367.24457	3.5
643.41919	3.6
661.27887	7.2
661.40588	100.0
662.39825	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	661.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56336	1.0
59.03205	1.1
71.52725	1.2
76.56245	1.3
77.59191	1.3
80.57792	1.1
109.81918	1.2
139.35318	1.2
257.34076	1.4
262.27582	1.3
317.21274	1.9
349.20020	2.2
367.20734	26.7
528.93213	1.7
530.07471	1.2
592.18085	1.7
643.41046	1.9
661.42651	100.0
662.42993	6.6
683.00354	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99902	0.3
59.06050	0.6
67.05451	0.5
92.10251	1.0
101.91016	0.4
157.34131	0.4
203.37575	0.5
277.94153	0.4
335.22440	0.5
349.23367	0.5
367.24612	1.5
661.46448	100.0
662.46997	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	661.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47433	0.3
54.57306	0.3
55.05958	0.3
56.33542	0.3
57.07014	0.3
67.05440	0.3
67.73496	0.3
87.09245	0.3
98.08394	0.3
119.08555	0.4
130.15930	0.5
173.32314	0.4
301.59351	0.4
305.93695	0.4
317.20859	5.7
349.24091	0.4
367.24460	4.9
368.24832	0.3
469.93329	0.4
661.46826	100.0
662.30225	0.7
662.47198	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	661.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.5
54.81076	0.8
55.01812	9.1
55.05454	26.9
57.03378	5.6
57.07017	5.8
59.04940	1.3
65.03854	0.9
67.05427	79.6
69.03344	3.1
69.06987	29.7
71.04900	5.1
71.08543	19.3
74.03262	0.8
79.05406	36.6
81.03336	5.0
81.06975	100.0
82.07306	0.8
83.04895	10.3
83.08539	32.6
85.06479	5.9
85.10103	1.8
91.05408	24.5
93.06972	60.3
94.07298	1.1
95.04893	9.7
95.08532	36.2
97.06465	15.4
97.10091	12.0
99.08024	14.5
105.06960	16.7
106.07294	1.0
107.04891	1.2
107.08539	34.7
109.06464	4.6
109.10116	20.6
111.08034	14.8
111.11665	0.9
113.09615	3.6
117.06970	14.3
119.08510	11.1
121.06435	1.6
121.10081	18.9
123.08042	3.2
123.11667	9.4
125.09616	7.6
127.07470	0.9
128.06267	0.9
129.06882	0.9
131.08530	13.9
133.10100	25.8
134.10410	1.0
135.08020	3.6
135.11653	24.4
137.09576	1.4
139.07556	0.8
139.11154	3.9
139.21971	0.8
143.08536	1.0
145.10098	4.2
147.11644	8.3
149.09615	1.2
149.13235	40.8
150.13609	0.9
151.11151	16.7
152.11349	0.7
155.10666	1.7
157.10135	3.0
159.11650	20.7
161.13202	6.0
163.11110	5.2
163.14810	0.8
165.12744	6.4
167.14304	1.0
171.11610	1.0
173.11719	15.2
173.13145	1.4
175.11111	0.9
175.14717	1.2
177.12689	11.7
179.14325	4.3
185.13177	1.1
189.11166	4.4
195.13759	53.1
196.14125	1.3
199.14812	0.9
213.14821	66.3
214.15147	3.2
241.19576	1.3
245.25301	0.9
249.21983	0.8
259.20523	4.5
277.21600	32.0
278.22067	1.2
295.22629	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	661.488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47860	0.7
55.05447	8.7
57.03368	5.6
57.07001	0.8
59.04918	3.4
67.05426	61.6
69.06974	4.4
71.04893	1.7
79.05401	4.2
80.23507	0.7
81.06978	15.5
83.08540	7.3
85.06448	1.1
91.05394	4.2
92.10883	0.9
93.06973	5.7
95.04884	0.9
95.08526	6.8
97.10075	1.6
98.15662	0.8
103.77814	0.7
107.08526	3.7
109.10103	78.2
110.10436	1.0
111.08028	4.7
119.04880	1.0
119.08556	5.7
121.10075	1.4
123.11664	1.3
125.09573	1.3
133.10065	1.2
137.09557	4.1
145.02771	0.9
146.08948	0.8
147.04420	1.8
147.11638	0.7
149.13240	1.7
155.10622	13.1
173.11694	100.0
174.12086	1.2
177.05435	1.8
178.96815	0.8
195.13817	1.9
213.14775	1.5
229.07390	1.0
277.21515	5.2
295.22522	5.7
295.33960	0.9
381.13562	0.9
406.11832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	4.9
55.05442	19.4
55.84993	2.8
57.03381	13.9
57.34821	3.1
57.60965	3.3
57.83590	2.9
59.04929	3.3
67.05422	100.0
68.05734	4.0
69.06978	20.1
77.84196	3.6
79.05408	28.0
79.87440	2.8
81.06978	65.0
83.08538	24.7
89.60795	3.5
89.98293	3.2
91.05397	22.9
92.10855	5.6
93.06973	50.0
95.04888	5.1
95.08532	23.7
107.08532	30.9
109.10101	70.2
111.08024	14.1
119.08562	4.7
121.10088	14.4
131.08577	5.4
133.10049	5.0
135.11710	6.5
137.09532	4.7
147.04337	4.2
149.13216	37.4
150.05350	3.2
151.11050	3.6
155.10600	15.0
158.76738	3.2
159.11667	18.2
173.11684	74.5
177.05341	3.9
177.12654	6.2
191.90318	3.2
195.13750	54.9
213.14772	35.4
261.55557	3.3
267.58408	3.6
272.28040	3.5
277.21628	8.0
295.22641	7.6
329.58575	3.5
331.18845	26.0
353.22910	49.0
661.42572	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02326	0.1
53.03875	0.6
54.81477	0.1
63.02279	0.1
67.01778	0.2
69.03357	1.2
70.06502	0.3
71.04899	0.2
72.08072	0.2
78.04617	0.2
81.03339	3.5
81.42191	0.1
83.33661	0.1
85.02821	1.0
86.09625	0.2
89.03828	3.0
91.05401	0.6
97.02827	2.5
99.04410	1.1
106.02838	0.2
109.02829	7.5
115.70432	0.2
117.03328	14.4
118.03616	0.2
119.04872	0.3
124.03906	0.8
127.03869	4.4
134.03574	0.9
135.04402	1.5
145.02824	59.6
146.03207	1.4
146.06015	1.8
147.04398	0.6
147.06323	0.2
149.05960	6.4
150.06310	0.2
155.92944	0.1
158.06004	0.2
161.06018	0.2
162.05461	2.4
163.03876	0.8
163.05858	0.3
163.55240	0.1
169.04895	0.9
174.05409	0.2
175.03920	0.2
177.05435	100.0
178.05774	3.1
186.05457	1.2
190.04997	0.2
207.06499	0.2
229.06967	0.6
237.65602	0.2
289.09085	0.6
303.08344	0.2
339.10730	4.5
340.10867	0.2
381.11694	1.8
553.43115	0.2
553.51849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67937	0.3
53.03876	0.5
55.01793	0.4
69.03336	1.4
69.72661	0.2
70.06490	0.4
71.04913	0.3
72.08067	0.4
73.83160	0.3
81.03329	3.6
83.01199	0.3
84.08109	0.2
85.02800	1.3
89.03838	3.0
91.05423	0.5
97.02800	2.4
97.98536	0.3
99.04364	2.8
105.54595	0.3
109.02833	5.0
117.03323	11.2
119.04882	1.2
124.03890	0.3
127.03870	13.5
134.03555	0.3
135.04375	1.3
145.02820	48.4
145.04823	1.4
146.03171	1.2
146.05992	2.7
147.04391	1.4
149.05962	4.9
162.05440	1.7
163.03925	0.3
169.04941	0.6
177.05428	100.0
178.05753	3.1
186.05400	0.4
187.05957	1.2
229.06970	2.1
231.33250	0.3
247.08043	1.4
268.08304	0.3
282.03018	0.3
339.10690	4.4
356.23730	0.3
381.11588	3.2
410.46857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13021	1.7
52.74520	1.5
55.01800	8.4
55.05439	1.7
57.65977	1.4
65.03855	8.3
67.05417	3.9
68.45757	1.8
69.03336	2.3
70.06492	10.8
75.04388	3.2
78.04646	6.2
79.05397	8.2
81.03326	3.6
85.02831	15.7
86.09626	3.3
89.03832	3.9
91.05405	31.0
93.03333	14.1
93.06974	9.6
95.04901	15.4
97.06457	3.5
103.05405	29.3
105.06982	16.4
105.41766	1.9
106.04112	38.3
107.04935	17.3
109.06513	2.3
111.04321	3.6
115.05418	4.3
117.03328	14.6
117.06970	3.8
118.04122	3.4
119.04904	13.0
119.08572	2.3
121.06452	54.0
123.04372	8.3
124.05141	3.3
125.05970	16.0
127.03873	1.8
128.94887	1.8
131.04901	35.5
132.05698	2.6
133.02884	1.9
133.06461	20.4
134.03580	3.4
135.04416	2.7
135.07962	2.0
137.05946	10.7
139.07553	2.6
145.02835	39.6
145.06483	13.4
146.03502	2.2
146.05995	4.6
147.04362	12.4
148.05153	18.4
149.04788	3.0
149.05959	72.4
151.03812	7.4
151.07526	8.0
153.05457	8.8
153.09108	16.9
159.04297	1.8
159.07974	2.1
160.05159	2.8
161.05936	19.7
163.03841	3.1
163.07471	29.5
165.05453	2.1
166.06244	3.1
167.07004	90.4
171.06464	3.6
173.05916	3.8
175.03877	2.3
175.07524	4.5
176.04546	2.1
177.05432	66.1
181.04919	87.9
181.08528	25.8
191.07002	80.3
193.08572	2.0
207.06458	6.8
209.08046	100.0
233.08104	3.4
235.07521	3.4
235.09679	2.4
237.03012	2.2
245.08057	3.2
245.46811	1.9
263.09158	3.9
267.10098	3.3
295.09476	2.2
304.01407	2.1
306.20691	2.1
385.12616	7.9
385.59375	2.1
417.15381	17.1
440.36142	2.1
469.19391	7.6
662.23932	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	663.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63710	0.9
54.81684	1.1
55.05436	1.3
62.80610	0.9
68.27087	0.9
69.03330	1.5
70.06502	2.3
72.08075	16.9
81.03338	1.4
84.08034	1.8
85.02824	1.6
89.03831	13.2
91.05399	2.3
95.08546	1.1
97.02808	1.8
98.05967	1.9
110.07133	1.7
117.03326	49.7
119.04904	1.3
127.03867	1.2
134.03571	4.0
135.04416	2.7
145.02821	100.0
146.03159	2.3
147.04356	4.7
149.05956	16.2
152.76566	1.2
162.05511	1.2
167.07010	1.4
177.05426	98.8
178.05786	4.5
179.08444	1.3
186.80887	1.2
207.08017	2.7
225.04053	1.7
231.06464	6.9
235.07570	4.0
253.03644	2.1
256.06030	1.6
260.04575	1.6
267.10098	1.7
286.07013	16.1
311.09061	1.3
321.07489	6.2
322.08276	1.6
328.11694	8.2
345.14340	4.7
353.10217	5.9
381.09628	1.6
469.19592	22.2
487.20676	7.0
592.04071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45009	1.2
55.05441	1.7
55.66362	1.2
56.96497	25.5
61.63400	1.2
67.05401	1.7
78.03085	1.2
78.08484	1.4
81.06962	2.9
95.08527	1.7
95.49048	1.3
107.66021	1.4
141.77805	1.5
146.47055	1.5
162.05469	1.6
165.00545	1.5
171.03246	1.8
189.07854	2.0
199.06474	2.5
203.05988	5.1
213.07994	2.3
217.07530	10.4
227.09544	1.6
229.07396	2.9
231.09012	5.4
237.07904	2.6
241.07449	1.7
243.08961	2.5
247.08472	1.7
255.08961	5.5
271.12018	2.7
273.09979	3.0
296.60431	1.4
323.18314	1.5
333.17206	22.4
337.27353	1.8
351.18317	100.0
352.18674	6.8
369.19394	92.4
369.24075	3.2
370.19748	8.3
374.19781	5.0
374.57098	1.8
392.20987	6.9
475.43146	1.6
645.40289	1.6
663.41479	37.3
664.41309	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	663.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87872	0.4
52.53014	0.4
55.05411	1.7
56.96502	13.6
56.96756	0.9
61.02787	0.4
67.05428	4.8
67.42622	0.4
69.03291	0.6
69.06934	2.7
71.95126	2.2
74.97475	0.5
79.05360	1.0
81.03323	0.5
81.06960	4.4
83.08521	0.7
84.95921	0.7
85.52355	0.5
86.60026	0.5
92.98525	0.6
93.06916	1.0
95.08533	3.4
97.02805	0.9
98.97490	0.8
98.98363	1.6
109.10033	0.5
109.68385	0.5
110.97462	1.9
111.96092	0.4
116.98530	0.9
119.01717	0.5
128.98553	6.9
129.99289	2.1
133.03377	2.4
134.99561	0.7
141.99294	0.5
143.00076	0.7
146.99654	7.1
147.11674	0.7
148.00424	6.6
149.01062	0.7
151.04446	2.6
153.02010	0.4
155.00974	1.0
157.03305	0.5
160.00439	4.2
161.01137	2.5
165.00629	2.3
166.01376	0.8
171.03198	3.0
173.01091	0.7
173.04695	0.6
175.02727	1.1
175.04414	1.1
177.04079	0.5
179.02208	0.7
183.03198	1.1
184.03966	0.9
185.01044	0.5
185.04764	2.6
187.02800	0.7
187.04483	1.0
189.04340	6.0
190.01503	0.6
197.01230	3.6
197.04826	1.2
199.06300	4.1
201.00691	2.0
201.04308	2.4
201.06010	0.9
202.01518	0.5
202.05040	2.0
203.02222	1.1
203.05775	4.0
204.03008	0.9
207.05293	0.6
211.04507	0.9
211.06348	0.7
213.07947	3.6
215.02245	10.7
215.05835	2.4
217.03711	0.6
217.05521	1.8
217.07430	8.2
219.01691	0.7
219.09196	0.5
221.04869	1.0
221.06828	0.8
227.05966	3.8
227.09430	2.6
229.03568	0.7
229.07454	7.3
230.04393	0.5
231.08971	7.8
233.03162	1.7
239.05833	6.3
239.09473	0.8
240.06647	4.5
241.07376	3.0
241.11093	0.8
243.08966	0.6
243.12616	0.6
244.06290	0.5
245.06943	4.9
245.10616	2.1
247.08482	9.3
248.09120	0.7
257.06955	19.3
257.10034	0.9
258.07675	20.7
259.08453	3.9
262.07220	0.9
273.10028	0.5
275.07980	8.4
275.65347	0.5
276.08755	17.3
290.06622	0.7
291.16336	1.0
295.08838	1.0
295.12003	0.7
309.17291	5.5
313.13239	0.9
321.17361	0.6
323.18823	0.6
327.18411	1.0
333.17316	15.1
334.17719	1.0
337.27386	2.5
351.18335	54.6
351.68311	2.6
352.18576	3.9
365.29141	0.5
369.19412	100.0
370.19852	6.1
371.74942	0.6
374.19910	1.1
387.20502	9.9
388.21225	0.5
392.20895	5.1
412.77075	0.6
645.39087	0.6
663.41345	61.9
664.41577	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	663.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13619	2.7
55.05444	14.3
56.96497	62.8
57.03372	7.6
58.43656	2.6
67.05433	30.5
69.06968	15.1
79.05393	5.5
80.00518	3.5
81.06964	22.4
91.05357	4.1
93.06958	4.1
95.08532	13.2
98.74248	3.4
98.98399	26.1
102.95969	3.3
109.10102	5.6
146.99629	6.7
147.36540	3.3
155.00986	17.2
155.03865	3.7
165.00650	4.8
189.04320	6.7
199.06367	13.4
201.07863	3.7
203.05798	18.3
211.06322	13.7
213.07954	33.5
217.07454	36.2
229.07417	70.6
231.08969	85.3
239.09479	3.4
243.08955	18.8
247.08482	85.7
251.09424	5.9
255.09019	24.8
261.09976	16.6
267.08981	15.1
269.10574	73.1
273.10147	28.8
285.10068	45.9
287.11569	46.0
333.17017	6.0
333.20575	5.3
335.21793	31.8
337.27347	56.9
338.27542	4.7
351.17612	46.9
351.21457	32.2
369.19394	100.0
370.19745	4.7
387.20410	7.8
392.20840	6.7
523.28986	20.7
663.41290	85.0
664.41766	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	663.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	1.5
57.06997	1.7
73.88780	1.1
100.16651	1.0
104.10710	1.6
111.10667	1.3
116.07007	1.2
119.08522	1.3
123.11876	1.0
206.02545	1.1
231.09018	1.6
269.10510	2.0
287.11816	1.5
351.18488	4.0
369.19397	6.4
387.20349	1.8
663.42181	100.0
664.42822	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82713	1.5
52.12364	1.6
56.96495	2.9
67.05431	1.7
81.06928	2.0
178.38008	2.0
208.38219	2.0
231.09059	2.0
269.10452	2.9
281.13342	2.8
303.27881	2.5
337.27148	2.4
351.18356	7.6
369.19376	9.9
387.20325	7.7
403.45456	1.9
439.20853	2.5
451.28915	2.0
663.42340	100.0
664.42291	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	663.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	1.2
57.07014	63.1
84.52738	0.8
86.56469	0.7
88.88109	0.7
91.05399	7.0
95.04862	0.7
105.06978	3.0
119.08562	1.0
136.21634	0.9
147.11668	10.0
152.06168	0.9
153.06982	4.3
164.04468	0.8
233.03574	5.3
251.04625	17.9
292.07358	0.8
307.10892	1.5
327.07733	100.0
328.08096	3.6
383.13980	59.4
384.14258	3.0
439.20273	75.3
440.20474	4.0
495.26529	42.7
496.27240	2.3
548.80878	0.8
551.32770	42.0
552.32837	4.0
607.39044	49.7
608.39050	4.5
663.35120	0.9
663.45349	20.5
664.44952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42149	0.5
55.05445	0.8
57.16704	0.6
58.59887	0.6
64.67455	0.6
65.03855	0.8
70.06499	2.9
72.08075	1.2
76.56134	0.7
77.39339	0.6
80.11759	0.6
85.02856	0.9
86.09644	0.7
89.03828	7.0
91.05386	1.1
95.04868	0.8
105.07029	0.7
111.04366	0.9
117.03324	27.7
119.04879	1.2
135.04396	2.6
137.05946	1.1
142.02585	0.6
145.02818	94.5
145.80708	0.6
146.03215	1.1
149.05959	11.1
163.03775	0.8
171.06461	2.6
177.05431	100.0
178.05721	3.6
179.68126	0.6
181.04918	26.6
186.05440	1.0
207.06500	1.2
225.07532	1.2
235.68768	0.7
248.63786	0.7
369.09329	0.9
383.11118	2.5
401.12189	19.5
402.12491	0.8
489.22098	6.0
665.26050	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	665.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41115	0.4
55.01804	2.9
55.02042	0.5
63.02299	0.4
65.03851	3.7
67.05418	0.8
69.03347	0.7
70.06498	0.7
71.01262	0.6
72.08063	1.9
76.56563	0.5
78.04623	0.6
78.36007	0.4
79.05413	1.7
81.06940	0.5
82.04131	1.1
85.02825	2.8
89.03834	13.0
91.05404	5.9
93.03305	0.6
95.04886	2.9
97.06452	0.9
100.13393	0.4
103.05384	1.0
105.03335	2.0
106.04175	0.7
107.04892	1.8
108.02017	0.4
109.06448	3.7
110.03601	2.5
111.04429	1.7
117.03325	48.4
119.04897	5.1
120.05686	0.5
121.04037	0.4
121.06457	0.7
123.04352	2.4
125.05934	1.1
131.04918	0.5
133.02797	4.1
133.06448	3.0
134.03564	3.3
135.04387	4.2
137.05954	9.3
138.03081	0.7
140.39532	0.5
142.02583	1.8
145.02820	100.0
146.03142	3.4
146.05957	0.5
147.04428	6.4
148.05132	0.7
149.05960	15.7
150.06410	0.5
151.07555	1.1
153.05476	4.0
154.06241	0.5
155.06975	2.1
159.04347	0.7
161.02214	0.6
161.05980	0.8
162.03036	0.7
163.03842	1.1
165.05446	10.8
166.02550	0.6
166.06137	1.9
167.06960	1.8
171.06451	6.7
175.03859	5.0
176.04683	0.8
177.05428	93.0
178.05771	2.9
179.07011	0.6
180.04137	3.9
180.07767	5.2
181.04913	89.1
182.05304	2.7
183.06393	0.5
186.05434	1.0
187.03853	2.7
193.04999	3.6
195.06462	2.8
196.07277	0.5
197.08078	1.9
201.05431	3.6
207.06485	7.3
208.07266	18.3
209.08012	2.5
219.06499	3.9
225.07520	16.3
226.08281	6.5
265.15506	1.7
291.13327	1.6
331.07889	0.8
353.10144	0.7
355.11780	0.9
369.09698	6.0
376.14139	0.5
383.11325	3.4
401.12213	13.9
472.19308	0.5
489.22235	17.1
490.22784	0.7
657.91589	0.5
665.27216	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	665.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06985	1.0
71.77520	0.9
76.56847	0.9
80.11660	1.0
86.41650	0.8
110.24606	1.1
157.87575	0.9
169.20230	0.9
219.54063	1.0
310.31082	1.1
351.64871	1.1
369.20294	1.0
446.94852	1.1
665.49500	100.0
666.49799	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	665.496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	0.7
57.03373	1.0
57.07005	2.7
59.06047	5.8
60.05582	3.6
67.05434	3.5
69.07000	1.0
70.54488	0.6
71.08547	1.4
72.08061	0.6
79.05416	1.6
81.06989	3.1
91.05396	0.9
92.10838	1.0
95.08532	3.0
105.07022	0.9
107.08558	0.9
109.10094	1.2
114.54888	0.7
114.88314	0.7
128.04378	0.7
190.92175	0.7
293.66885	0.8
326.68768	0.7
353.23007	8.5
409.25488	4.8
665.49548	100.0
666.49939	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	665.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28308	1.2
54.43345	1.2
55.05458	2.1
57.03361	1.5
57.07008	1.4
57.66807	1.4
57.67398	1.2
60.21058	1.3
64.35081	1.4
67.05428	9.5
68.69110	1.6
69.06992	2.4
71.08549	2.7
72.08067	3.3
74.05981	2.2
79.05400	2.6
81.06976	9.1
93.06951	1.7
95.08537	6.4
119.08593	1.7
135.11699	1.7
135.65756	1.5
161.83937	1.5
180.32466	1.4
188.27220	1.4
293.22403	1.7
353.23001	14.6
376.06937	1.7
380.87094	1.7
409.25363	6.0
453.97406	1.5
491.37393	2.4
662.97583	2.0
665.49493	100.0
666.49847	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	666.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.0
57.41653	0.2
61.02840	0.3
68.60238	0.2
69.03354	4.1
70.06496	1.6
72.08058	0.2
73.02811	0.2
74.78930	0.3
81.03336	6.5
84.04414	0.2
85.02824	5.7
86.09653	0.3
97.02820	5.3
99.04395	0.6
107.04897	36.0
108.05235	0.5
109.02826	5.4
110.07098	1.3
116.04890	0.5
119.04904	0.5
120.08075	0.3
121.02847	0.3
127.03857	2.6
134.06003	1.7
144.04469	1.5
145.02835	0.5
145.04941	1.5
146.05995	1.3
147.04387	1.1
148.03894	0.9
153.05330	0.3
162.05470	100.0
163.03871	1.1
163.05824	2.0
186.05479	1.2
190.04951	12.1
204.06537	2.2
208.06017	20.2
209.06453	0.4
270.07602	0.6
279.08655	1.1
282.02713	0.4
297.09756	0.3
316.08005	1.2
334.08923	0.3
352.10110	0.5
370.11270	1.5
371.85846	0.3
372.50024	0.2
478.13202	1.4
504.14978	4.8
678.42462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.3
54.01074	0.2
55.01798	0.2
57.03377	0.4
58.99486	0.2
60.19729	0.2
67.01794	0.2
67.47999	0.2
69.03346	4.9
70.06506	1.4
71.04914	0.4
72.08073	0.3
73.02821	0.2
74.99213	0.2
79.05405	0.2
81.03335	6.9
84.04411	0.4
84.08069	0.5
85.02821	5.7
86.09626	1.6
87.04397	0.3
91.05417	0.9
95.04899	0.4
97.02821	5.7
99.04376	1.5
101.02314	0.3
105.06982	0.4
107.04893	50.8
108.05245	1.1
109.02827	3.7
110.07170	0.3
116.04927	0.3
117.03384	0.4
119.04923	0.5
121.02841	0.3
127.03848	3.8
129.10146	0.3
131.05000	0.2
132.04356	0.3
133.10139	0.2
134.05984	1.5
144.04442	1.1
145.02753	0.2
145.04945	1.5
146.05991	6.2
147.04390	0.4
148.03944	1.0
151.03856	1.2
153.05437	0.3
162.05463	100.0
163.03833	0.3
163.05792	2.2
174.05466	0.5
177.05359	0.4
186.05522	0.9
187.07500	0.2
190.04947	14.1
191.05302	0.3
192.06487	0.3
204.06531	2.7
207.06500	0.3
208.06015	29.1
209.06393	0.9
260.69632	0.2
279.08557	2.2
297.09674	0.8
370.11249	1.7
427.44522	0.3
450.24106	0.3
480.07227	0.2
504.14871	9.1
505.15103	0.3
618.05646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78840	3.4
55.05423	5.7
56.78358	3.7
57.07010	29.2
60.05563	5.3
62.73817	3.4
67.05409	5.6
75.43428	3.5
76.48708	3.6
79.05390	7.2
81.06950	9.1
83.04882	10.5
85.83261	4.0
92.63985	3.9
93.06955	5.5
95.08496	4.5
102.59306	4.2
119.08468	4.8
147.11642	21.6
150.51073	4.9
151.51089	4.5
189.16220	4.0
223.05130	31.6
241.06192	6.7
244.99722	5.8
279.11505	8.5
353.22800	7.1
409.25330	6.1
433.15250	7.2
463.57626	5.2
621.30933	80.7
665.49567	91.9
666.38678	7.1
666.49866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	0.8
53.03887	3.1
53.34240	0.3
55.05446	0.9
57.07013	28.2
59.04928	0.5
67.05433	3.9
69.03345	0.8
69.06995	1.0
69.44822	0.4
71.08549	17.4
74.34624	0.4
79.05428	0.5
81.03341	26.9
81.06970	7.6
83.08546	0.6
84.22459	0.4
85.10106	8.8
87.04351	0.6
88.82863	0.4
90.38042	0.4
94.59863	0.4
95.08529	9.8
96.52789	0.4
97.02828	12.7
99.04377	1.9
103.44778	0.4
106.89803	0.4
106.92651	0.4
109.02831	100.0
109.10085	0.9
110.03170	0.7
111.73922	0.4
126.10373	0.5
127.03875	44.1
127.11142	4.3
128.04222	0.6
137.13156	0.4
139.03889	3.7
141.12740	0.9
155.14279	11.7
155.15491	0.6
169.04919	17.8
229.06969	0.6
314.10034	0.5
323.18570	1.0
360.14719	0.4
515.04694	0.5
527.31958	4.3
666.42871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96161	1.5
53.03881	2.2
53.44633	1.5
55.01821	2.6
55.05451	26.5
57.03367	14.7
57.07022	3.3
59.06052	2.6
60.05573	8.8
61.42163	1.7
65.03875	2.4
67.05077	4.0
67.05428	100.0
69.06989	36.7
71.04913	3.2
71.08545	12.3
79.05403	42.3
81.06514	2.9
81.06978	76.8
83.04906	4.5
83.08525	16.8
91.05402	28.2
93.06966	36.9
93.91736	1.8
95.04920	8.5
95.08532	46.3
97.06441	3.8
97.10085	4.6
99.08027	3.2
104.66616	1.8
105.06985	17.6
107.08521	22.9
109.10104	29.3
111.08016	3.6
117.06973	4.3
119.08518	10.4
121.10110	12.2
123.11687	4.0
131.08591	7.0
133.10104	11.1
135.11629	8.5
147.11691	3.5
149.13219	8.7
151.11259	2.1
159.11720	2.3
161.13228	3.2
165.11624	2.1
173.11775	2.7
175.14804	2.6
177.12744	2.5
218.17178	2.0
229.14296	3.1
269.17441	4.3
277.21466	2.8
279.23087	3.0
337.27228	31.5
338.27725	2.4
351.24997	3.4
353.26700	4.0
425.87717	2.6
491.37143	22.7
531.40289	46.6
532.40723	4.0
613.47968	4.7
631.48828	4.6
654.58746	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	667.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	1.4
70.06492	9.6
72.08054	9.5
75.13801	1.2
80.56066	1.7
81.03349	3.0
84.04427	9.4
84.08059	9.9
85.02824	3.6
86.09623	5.9
89.03833	3.2
91.05389	5.8
91.79589	1.3
101.07071	3.0
103.05387	2.6
107.04894	2.5
109.02846	7.1
117.03327	25.8
118.03788	1.5
119.04878	6.7
120.08054	31.9
121.08405	2.3
129.06525	2.0
131.11177	1.3
135.04364	2.2
137.05977	2.2
145.02815	69.1
146.05986	14.3
147.04367	8.3
147.06273	1.7
149.05963	9.2
162.05446	22.5
167.06956	2.9
175.03897	2.6
177.05424	73.2
181.04948	1.9
191.11700	1.9
207.06528	6.5
217.04710	1.7
217.08537	3.5
224.07758	1.5
279.17166	2.0
282.02798	2.2
291.13232	2.5
329.08420	9.0
331.16666	2.4
361.08884	9.7
421.10999	2.8
455.21359	2.1
473.22693	2.5
488.94638	1.7
548.89874	1.8
653.10931	2.2
667.18237	100.0
668.18372	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	667.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40712	0.9
69.03354	1.4
70.06493	2.6
70.80353	0.9
70.91152	0.9
72.08067	1.3
81.03320	4.8
81.31467	1.0
82.78806	1.0
83.04899	1.0
85.02825	1.9
86.09630	1.8
89.03843	1.9
91.05389	4.5
97.02824	2.2
105.06944	1.0
107.04884	2.0
109.02812	2.5
117.03362	9.3
119.04892	5.1
124.03856	1.3
127.03888	1.7
135.04388	1.1
145.02834	21.5
146.03217	1.0
146.05981	9.9
147.04393	4.3
149.06001	2.4
162.05453	22.3
167.03185	5.7
167.06960	1.6
175.03856	4.4
177.05437	29.7
178.07262	1.2
190.04933	1.9
199.03685	6.0
207.06509	6.5
250.06589	1.2
282.02789	2.2
287.07050	1.3
329.08478	5.0
361.09125	1.5
379.09933	9.6
403.10159	4.3
421.11417	1.5
667.18250	100.0
668.18762	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	667.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64656	0.7
69.03343	0.9
70.06506	3.2
72.08060	1.3
81.03336	0.9
84.08080	0.8
85.02790	0.8
89.03822	1.2
91.05417	1.5
92.26302	0.7
100.83228	0.8
106.02893	1.0
109.02834	1.2
110.07155	1.6
117.03358	5.4
118.03714	1.2
119.04932	1.7
129.42242	0.8
137.05981	1.1
145.02826	17.9
146.03197	3.7
146.05994	1.5
147.04454	3.4
149.06006	1.8
151.03995	1.0
162.05531	3.3
164.04126	0.8
177.05434	17.1
178.05821	5.9
181.04921	1.1
207.06526	1.6
389.88696	1.0
425.12009	5.8
440.14120	7.0
667.23553	100.0
668.23938	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	667.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12085	0.3
52.19975	0.3
60.21697	0.3
63.02302	0.4
70.06508	2.6
72.08075	2.9
75.04408	0.4
75.10659	0.4
78.04642	0.5
81.03277	0.4
89.03834	14.2
91.05413	4.3
93.03326	0.7
93.06985	1.6
95.04895	1.7
103.05378	2.6
106.04107	4.2
107.04898	0.9
113.20401	0.4
115.08583	0.4
117.03326	47.5
118.03664	0.8
119.04884	2.9
121.06430	5.0
124.05140	0.4
125.05951	0.6
131.04901	1.6
132.05687	0.7
132.94296	0.3
133.02856	0.4
134.03545	3.8
135.04355	4.1
135.54349	0.3
136.72908	0.3
137.05968	1.4
140.32985	0.4
145.02820	100.0
146.03122	3.2
147.04388	1.9
148.05130	0.4
149.05951	24.4
150.06432	0.5
151.07559	0.7
151.25801	0.4
153.09056	1.6
154.06236	0.5
156.13858	0.4
158.03581	0.5
160.05087	0.6
161.05998	0.7
162.03145	0.7
163.03871	1.9
163.07539	0.5
167.07005	5.5
173.05907	0.7
175.03845	1.7
177.05432	93.0
178.05826	3.2
179.07068	1.8
180.07805	1.7
181.08554	3.2
182.09329	0.9
186.05437	1.5
191.06976	1.9
192.07777	2.3
197.40088	0.4
201.05431	8.6
209.08043	15.9
210.08704	1.9
213.05276	0.4
231.06519	0.8
246.11241	0.4
247.12001	1.5
263.13776	0.5
265.15381	3.6
291.06534	0.6
291.13284	1.6
335.09009	2.0
355.11661	2.5
367.11523	2.4
385.12579	0.6
390.13269	1.7
407.15851	1.4
439.18457	0.8
440.19070	2.1
441.19977	4.4
443.21378	0.8
455.21661	0.6
473.22528	1.4
491.23792	4.9
619.26465	0.8
665.81537	0.4
667.50897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	1.1
61.59918	0.4
66.96161	0.5
69.03362	0.6
70.06508	3.2
72.08066	5.7
79.05436	0.6
81.03335	0.9
84.04428	1.2
84.08067	1.1
85.02833	0.8
86.09611	1.1
88.89174	0.5
89.03842	8.6
91.05395	3.3
98.05992	3.4
98.48964	0.5
101.07090	0.7
102.05413	0.6
103.05396	0.9
105.07003	0.6
105.09052	0.6
105.24351	0.5
107.04892	2.2
109.02839	1.0
110.55180	0.5
114.09086	0.9
115.05378	0.9
115.08646	1.1
117.03324	33.1
119.04897	3.0
120.08059	3.7
124.03909	1.0
125.06005	0.5
127.03873	0.7
134.03647	1.3
135.04404	3.0
137.05951	2.9
137.64973	0.5
143.24277	0.5
145.02821	87.8
146.03133	1.3
146.05983	6.7
147.04382	3.6
149.05945	11.4
151.03918	0.6
156.05659	5.9
162.05438	8.9
163.03867	1.1
163.05885	0.6
167.03169	0.9
167.06972	3.9
173.05833	0.7
175.03870	2.4
177.05429	100.0
178.05849	4.0
178.07451	0.7
186.05499	2.3
187.07462	0.7
189.05391	2.9
199.03693	0.8
201.05524	0.6
202.06206	0.9
203.08569	1.2
205.08580	0.9
206.07220	1.1
207.06406	1.2
207.08092	0.7
217.08546	15.9
219.07997	0.7
220.02782	0.6
221.09610	1.3
223.07436	0.8
231.08138	0.7
234.06668	2.4
235.07436	0.6
247.07500	0.6
248.08479	0.7
249.09009	4.9
264.07822	0.7
266.09274	2.2
272.09006	2.6
277.08466	4.4
279.10031	0.6
281.11603	2.8
282.02908	0.7
291.13342	11.9
292.07193	0.6
293.07867	0.6
295.09665	0.7
304.15390	1.2
307.09564	0.7
309.11096	2.9
314.13791	4.8
326.11353	1.1
331.16537	4.5
339.12283	2.8
341.13739	3.4
367.11713	3.5
403.09741	1.0
421.10983	1.3
455.21683	6.7
473.22815	5.3
515.16010	0.7
631.26331	5.4
649.26697	0.6
667.18256	14.4
668.18140	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	667.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27931	0.2
55.01819	0.3
55.05460	0.4
63.02309	0.4
70.06518	1.6
71.39651	0.2
72.08070	4.1
76.93327	0.2
78.04624	0.9
79.05405	0.8
81.03337	6.3
84.08063	0.9
85.02824	0.3
86.09653	0.3
89.03840	14.7
91.05407	1.4
95.04895	0.5
97.02827	0.2
98.05973	1.5
103.05399	1.2
105.06976	0.3
106.04118	1.1
107.04905	3.3
109.02883	0.2
109.06435	0.3
110.62045	0.2
115.05402	1.0
115.08635	0.5
117.03331	48.6
117.06958	1.0
118.03658	1.1
119.04903	1.0
123.04366	0.5
124.05148	1.3
125.06012	0.3
128.04982	0.2
128.06161	0.3
129.04431	0.3
131.04880	2.0
133.02748	0.2
134.03596	3.4
135.04387	4.5
137.05966	4.1
143.04939	0.4
145.02827	100.0
145.06508	1.5
146.03160	2.7
146.05989	2.3
147.04375	1.2
147.07951	0.2
149.05963	15.4
150.09138	0.3
151.03922	0.5
152.04665	0.2
156.05661	1.8
160.05161	1.6
161.05957	2.4
162.03120	0.3
162.05441	2.4
163.03871	1.3
163.07518	1.1
167.07005	22.6
168.07242	0.3
172.05183	0.4
173.05972	1.3
175.03951	0.4
175.07524	4.4
177.05438	85.7
178.05769	2.5
181.04898	0.3
186.05414	1.8
187.07539	4.0
189.05409	1.2
191.07065	1.1
201.05414	1.3
203.08496	0.3
205.08589	1.8
206.07257	0.3
206.11722	0.3
207.06390	0.3
207.08110	0.5
207.09961	0.3
217.08553	3.8
219.08047	0.5
221.09555	0.9
231.06381	0.4
233.08063	1.0
234.06789	0.9
234.11189	0.3
235.07558	0.6
235.09642	1.6
246.88611	0.3
247.07484	0.3
249.09064	2.0
253.54242	0.2
262.06131	0.3
262.10602	0.3
265.15460	1.1
266.09235	0.5
272.09128	0.9
277.08545	1.4
278.09369	0.3
280.06903	0.3
281.11792	0.6
289.10767	0.7
291.13345	1.0
294.08514	0.4
295.09711	0.4
304.15390	7.3
307.09497	0.4
309.11108	0.8
314.13895	1.2
322.16226	0.3
323.08954	0.3
326.11398	0.3
327.12317	0.3
331.16516	0.9
339.12265	1.9
341.13763	1.2
355.11591	1.0
367.11649	0.8
438.18741	0.9
443.21802	0.4
455.21500	1.9
456.20108	8.5
457.19815	0.3
473.22760	37.6
474.22949	3.5
499.20792	2.1
631.26410	1.1
632.26740	0.2
648.71674	0.2
649.27466	5.1
650.27631	0.3
667.18164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	5.3
57.07011	63.4
58.55228	3.2
65.03850	4.3
69.06580	3.3
69.72205	3.4
83.04904	67.5
91.05389	7.9
107.08453	3.3
115.23006	4.2
119.08495	6.6
129.06956	3.0
141.06953	12.3
147.11690	45.2
151.01498	5.7
160.38084	3.4
168.66946	3.2
175.01523	12.6
176.67642	3.6
227.04605	7.6
239.04668	13.5
337.02231	84.6
393.08490	37.1
443.22543	3.8
469.12048	11.2
525.17883	23.0
581.24213	42.6
582.24182	4.8
637.20313	6.0
637.30341	100.0
638.30774	6.3
646.90137	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	669.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28509	0.9
54.81585	1.2
55.05446	2.1
57.22482	1.0
60.05592	1.5
67.05422	5.3
79.05417	1.3
81.06970	5.2
87.89491	1.1
93.06968	4.4
95.08528	4.5
150.63962	1.1
167.13493	1.0
175.35884	1.1
197.01799	1.3
210.67305	1.3
221.86440	1.4
317.20691	10.7
373.23373	2.2
588.25702	1.2
669.46844	100.0
670.47205	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85572	1.3
54.81348	1.5
55.05448	3.4
57.03374	1.4
67.05431	6.9
71.08535	1.4
81.06965	3.5
91.05450	2.8
92.08204	1.8
93.06989	1.9
95.08576	2.9
128.09488	1.3
162.03726	1.5
207.42908	1.8
230.90015	1.7
236.07738	1.6
333.20410	2.9
349.37851	2.2
602.07983	1.7
669.46838	100.0
670.47192	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03854	0.9
55.05439	6.8
57.06742	1.7
57.07014	41.1
60.05536	1.4
65.03870	11.1
67.05418	2.0
69.06979	2.1
76.51397	1.1
79.04862	1.1
79.05407	1.4
81.06964	2.4
83.04902	13.1
85.25356	1.1
86.03019	1.2
86.09623	6.4
91.05419	11.3
93.06961	1.6
95.08487	1.7
99.02615	100.0
105.06981	5.8
107.08523	2.1
109.10095	1.7
117.06955	1.5
119.08509	2.9
124.99909	4.6
129.07056	1.8
132.09337	2.2
134.98145	1.9
141.06908	5.2
142.07739	5.6
147.11682	37.1
150.75804	1.2
151.11121	1.5
154.72900	1.1
159.07970	1.9
166.99207	1.8
169.77028	1.1
175.01543	11.4
184.07343	11.9
194.63306	1.5
197.00267	9.0
234.30034	1.4
239.04591	2.9
255.02361	4.9
273.03320	12.3
293.21094	1.4
329.09671	16.2
353.00006	16.8
409.06451	16.2
485.09238	6.1
509.00009	1.5
541.15662	16.5
557.44513	1.9
597.21912	33.9
598.21802	2.2
653.28143	95.3
654.28339	13.5
669.44427	4.6
670.44751	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	670.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	2.2
55.05449	16.1
56.04972	11.0
57.03373	1.6
60.04458	2.6
64.32941	1.1
67.05440	9.1
69.03345	8.0
69.06989	7.8
70.06512	100.0
71.06828	4.7
72.08068	23.4
73.02817	1.2
73.08411	1.0
74.05986	7.2
79.05400	9.2
79.38506	0.9
80.71664	1.0
81.03333	4.1
81.07000	9.3
83.04892	1.3
83.06007	2.2
83.08546	2.4
84.04428	19.2
84.08081	8.3
85.02831	7.5
86.09629	13.7
87.05511	1.6
88.03923	1.3
89.03835	1.1
91.05404	10.5
93.06983	8.7
95.04897	2.0
95.08523	5.0
97.02843	6.7
97.10121	4.2
97.32839	1.3
98.06022	1.4
101.07112	1.5
102.05502	7.4
104.05248	1.9
105.06965	8.9
107.04929	2.3
107.08549	10.7
109.02820	7.6
109.10098	1.3
110.07127	12.3
111.04335	1.7
112.08687	2.2
115.08636	2.2
116.07049	4.6
117.03313	4.0
117.06969	2.1
119.04912	4.1
119.08528	6.2
121.10120	4.2
125.09619	1.6
127.03896	6.1
129.10181	3.9
131.08540	4.3
133.10092	6.3
136.07553	6.4
141.06613	1.5
145.02823	9.0
145.05019	1.4
145.10081	2.5
146.05984	10.6
147.04414	1.8
147.11642	2.2
149.05917	1.0
149.09605	1.4
149.13274	1.4
155.08107	1.3
159.11702	1.5
161.13101	1.0
162.05492	5.3
169.13350	4.0
171.11369	1.8
175.04001	1.1
177.05423	6.2
181.09753	2.0
195.13799	1.5
197.12956	1.3
247.10541	1.1
275.20013	15.9
282.02798	1.3
293.21115	5.3
303.15915	1.5
344.02588	1.1
357.19125	1.7
378.09134	1.3
406.12604	1.3
517.55914	1.1
579.51709	1.2
689.98114	1.3
697.68860	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06484	0.2
53.79933	0.1
55.01802	0.8
55.05439	1.2
57.03363	1.0
57.07003	1.3
63.60765	0.1
65.03860	0.2
67.05416	1.0
69.03342	1.7
69.06985	0.4
69.47165	0.2
71.04903	0.2
71.08540	1.0
73.02812	0.2
77.43089	0.2
79.05413	1.3
81.03333	0.4
81.06971	0.9
81.95081	0.2
83.04887	2.0
83.08533	0.4
85.02830	0.8
85.10082	0.3
91.05400	8.0
93.06957	0.9
95.04900	0.3
95.08545	1.0
100.28967	0.2
103.05371	0.7
104.06191	1.1
105.06969	0.7
107.08517	3.3
109.10094	0.4
111.04369	1.6
115.05375	0.3
117.06966	2.5
119.08530	100.0
120.08858	2.1
129.05411	1.3
133.06476	1.6
135.08002	1.6
202.65472	0.2
214.94579	0.2
239.96370	0.2
352.45142	0.2
385.29349	0.7
519.36829	0.3
653.43988	3.2
679.31091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02319	0.4
53.03885	3.5
53.39109	0.3
55.01811	0.6
55.05443	0.4
57.03361	0.5
59.49209	0.3
59.82690	0.3
62.83090	0.4
65.03849	0.8
69.03349	8.3
70.06498	1.7
70.83333	0.3
71.04906	0.9
71.42061	0.3
72.08057	0.3
73.02842	0.5
74.61555	0.3
78.03365	10.3
79.66382	0.4
80.04914	3.2
81.03333	19.4
82.03660	0.4
85.02826	7.6
95.04853	0.7
95.31467	0.4
96.04412	7.9
97.02821	7.5
99.04375	2.7
106.02858	46.1
108.04446	0.5
109.02834	11.1
109.05177	0.6
110.03607	2.4
110.07164	0.5
110.39009	0.4
123.04379	1.8
124.03907	100.0
125.04733	0.5
125.05978	2.1
127.03867	4.8
129.10199	0.5
136.03906	1.8
137.04704	6.3
137.56866	0.4
140.03471	0.4
145.02855	0.4
147.04369	1.7
148.03833	0.5
150.05458	0.4
153.04164	1.9
153.05443	1.6
162.05408	0.7
164.03374	2.3
165.04205	0.6
166.01355	3.3
166.04907	0.7
177.05377	1.4
179.05701	6.9
180.02834	1.6
181.03624	2.6
196.06012	7.3
203.61028	0.4
224.05504	20.9
229.65567	0.5
232.05943	0.7
238.15956	0.6
242.06563	1.7
246.14711	0.5
250.07042	14.8
250.09459	0.8
268.08099	30.8
269.08450	1.5
286.09088	3.4
331.07974	0.5
341.26880	0.4
412.12305	0.8
430.13354	13.2
431.13937	0.8
448.14551	0.5
476.31552	3.8
477.31299	2.9
493.29895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
72.84588	0.2
75.19868	0.2
91.05401	1.2
103.05430	0.5
110.03569	0.3
115.05392	1.7
117.03330	0.4
117.06950	5.7
119.04900	0.4
125.05927	0.7
136.08466	0.3
137.05943	9.8
138.06323	0.3
143.04906	1.8
143.07275	3.5
144.08054	100.0
145.02818	1.0
145.06528	2.1
145.08389	2.6
145.75998	0.3
146.05972	0.3
147.04462	0.7
149.06052	0.3
151.03839	0.6
152.07042	4.4
155.06000	0.5
156.08020	0.4
169.06737	0.3
175.07558	1.3
177.05460	1.1
177.06990	0.6
186.03069	0.6
187.08664	2.0
189.05402	0.5
191.07011	1.3
194.07233	1.4
201.05350	7.8
203.06981	4.5
204.05623	0.4
205.06438	7.4
218.08043	0.4
219.08058	0.4
220.05104	1.1
221.05904	0.5
222.06732	4.2
226.04842	1.0
233.05930	3.6
234.06651	0.6
235.07451	3.0
237.09036	7.9
239.06961	0.4
244.06181	0.5
247.07446	0.6
248.04597	1.1
249.05243	0.5
250.06244	3.8
251.06836	1.7
262.06201	0.4
263.06952	3.8
264.07788	1.8
265.05334	0.5
265.08536	13.5
266.09076	1.4
267.06418	0.7
276.04150	1.1
277.08316	0.4
278.05911	0.9
279.06378	0.5
280.07175	1.5
282.08743	1.9
291.06424	2.6
292.07132	2.5
293.04810	0.5
293.07956	6.0
294.08698	0.5
295.14282	7.0
297.11160	1.9
307.09644	2.5
308.06677	1.6
309.07452	0.5
310.08353	1.7
323.09064	13.6
324.09335	0.5
325.10626	23.5
326.10843	1.7
342.13260	0.5
351.08679	0.5
354.13007	0.3
368.11017	1.1
387.13437	4.1
483.18970	0.6
485.20581	11.6
486.20663	1.4
509.17966	0.3
511.18442	5.8
587.99744	0.3
663.84949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00224	0.2
53.03888	0.3
54.81501	0.2
55.05463	0.2
56.96527	0.2
57.03373	0.2
57.07013	6.8
57.20036	0.2
61.02853	0.3
67.05432	1.7
69.03348	3.3
70.35372	0.2
71.08547	4.6
79.05434	0.3
79.47446	0.2
81.03328	3.0
81.06976	3.1
85.02859	0.3
85.10102	1.8
87.04396	1.9
95.08530	3.3
97.02847	0.3
99.04405	0.4
105.97859	0.2
106.94602	0.3
109.02837	2.3
109.10144	0.4
115.03874	0.6
127.03821	1.6
127.11183	0.3
133.04938	0.2
145.05020	0.3
155.14326	1.3
204.56732	0.2
253.06834	1.0
265.17142	0.2
286.73059	0.2
313.08936	1.1
317.17944	0.5
527.24445	1.3
611.33936	1.2
671.36011	100.0
672.36285	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	671.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81318	0.2
55.05459	0.6
57.03356	0.4
57.78085	0.2
67.05431	3.6
69.07012	0.5
79.05414	2.0
81.06982	3.9
89.05953	0.3
91.05423	1.2
93.06979	1.9
95.08536	2.2
101.85527	0.3
105.07020	0.4
107.08562	1.3
109.10109	0.5
119.08544	0.4
121.10107	0.6
131.08533	0.6
135.11726	0.4
147.11673	0.3
149.09572	0.3
319.22452	2.1
375.25092	2.6
671.48444	100.0
672.48773	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	671.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21857	0.7
52.47153	0.7
55.05446	0.7
67.05423	2.9
69.06994	1.3
69.78078	0.6
79.05407	0.7
81.06985	1.6
86.94590	0.8
95.08541	2.9
109.10166	0.7
165.20934	0.8
174.24792	0.7
214.00636	0.9
308.39377	0.8
335.21927	4.1
341.83405	0.9
415.02484	0.8
671.48444	100.0
672.48602	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	671.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96255	0.8
55.05435	0.9
57.07012	7.4
64.34842	0.8
67.22278	0.7
67.46202	0.8
70.06505	13.2
71.08539	4.7
72.59063	0.8
80.33251	1.0
88.07554	21.9
95.08500	1.2
102.09106	12.8
123.28378	1.0
140.72203	0.8
210.43323	1.0
256.26294	45.8
257.26678	3.6
300.28809	1.5
318.29959	100.0
319.30350	4.4
362.32507	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	2.0
55.05230	1.0
55.05452	20.2
55.42056	0.9
57.06783	1.2
57.07011	22.5
61.10990	1.0
66.76871	1.0
71.04900	4.7
72.70259	1.0
74.43512	1.0
77.44637	1.0
83.04900	100.0
91.05388	7.6
95.04900	2.2
98.98393	7.2
105.06976	5.7
106.83735	1.1
107.08491	1.1
119.08489	1.5
128.06157	4.9
129.06960	16.0
141.06967	2.7
147.08061	12.7
147.11673	15.9
151.01517	1.9
157.07472	1.4
175.01511	48.7
181.02568	68.4
185.13184	1.3
199.03659	6.3
216.92458	1.2
227.04617	24.5
231.07730	2.6
239.04510	2.0
257.05737	9.4
283.10815	8.5
290.61127	1.1
313.11896	51.0
314.12329	2.0
316.85861	1.3
369.18210	16.5
380.58667	1.2
420.23669	1.1
487.12637	5.8
502.60632	1.2
543.19122	18.3
599.25134	42.1
600.25250	7.1
648.18500	1.2
655.31482	70.8
656.31866	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	672.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59293	2.6
53.00239	3.1
53.03885	2.6
55.01806	18.4
55.05450	47.2
57.03373	21.2
58.25010	2.5
59.04888	3.2
63.10661	2.9
64.33221	2.7
67.04607	2.6
67.05075	5.1
67.05425	95.1
69.03346	77.7
69.06983	22.4
70.06498	6.8
71.01243	4.2
71.04903	13.0
71.08555	33.2
72.08046	4.8
73.02811	6.5
76.16896	3.2
79.05397	57.6
81.03340	43.9
81.06973	100.0
83.04898	21.6
83.08535	39.5
85.02821	86.2
85.06438	6.3
89.03796	3.3
91.05396	45.1
93.06973	56.1
95.04885	20.1
95.08521	50.8
97.02822	47.1
97.06448	19.0
97.10093	46.6
99.04389	17.8
99.08013	25.9
101.02326	4.8
105.06976	47.1
107.04882	15.4
107.08545	43.1
109.02827	48.0
109.06451	7.4
109.10098	49.1
111.04396	16.3
111.08015	13.8
113.09644	4.7
114.97646	3.1
115.05379	2.8
117.06938	14.5
119.04884	5.4
119.08530	27.5
121.06443	6.8
121.10094	19.6
121.94526	3.1
123.04409	3.8
123.11649	7.9
125.09581	26.4
127.03867	72.8
128.06100	3.5
129.06949	14.0
130.06493	6.8
131.08528	17.1
133.06461	13.9
133.10097	20.0
135.07986	7.7
135.11671	19.7
137.05942	3.9
137.56396	3.3
139.11076	4.7
141.07027	4.6
141.12637	3.3
143.08519	12.4
144.27924	3.1
145.02794	13.0
145.04941	18.0
145.06387	5.4
145.10098	16.7
146.05956	6.3
147.04375	15.9
147.06398	3.6
147.07967	6.3
147.11655	14.3
149.13249	28.4
151.11168	37.4
155.10626	4.8
157.10013	3.7
159.11641	14.1
161.13226	17.6
162.05431	6.2
163.05975	3.8
163.11150	13.0
165.05475	4.7
165.12729	4.9
171.11653	6.1
173.11710	37.1
177.05440	15.2
177.12683	6.9
179.14258	6.9
183.11720	3.3
185.13173	5.4
189.11240	28.0
195.13788	28.9
201.05836	3.1
213.14812	40.8
219.13672	4.1
231.13733	5.7
247.16936	4.2
249.14807	17.8
257.15369	5.5
259.20541	4.7
273.14969	3.8
275.16440	4.3
277.21527	76.2
278.21896	3.6
285.14380	4.5
285.17126	6.4
295.22614	63.9
303.15878	20.1
308.68988	3.2
321.16925	27.9
339.17856	28.6
357.18973	31.3
633.55341	3.6
672.25952	82.5
673.26105	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	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48716	0.5
53.00250	1.3
53.03881	2.8
55.01800	1.0
55.05452	12.4
57.03374	18.3
57.07013	96.9
58.07351	0.9
61.02856	25.2
61.28845	0.5
67.05430	25.6
69.03004	0.9
69.03352	17.3
69.06651	0.9
69.06991	16.2
70.57018	0.4
71.04890	3.8
71.08549	70.6
72.08881	0.8
73.02825	10.1
73.62462	0.5
74.96845	0.5
75.04395	9.0
76.12045	0.5
79.05418	0.9
81.03336	13.8
81.06975	40.2
82.07325	0.6
83.08539	27.1
84.08865	0.8
85.02827	58.3
85.06471	0.8
85.10105	37.4
87.04381	0.8
91.03883	26.8
92.10234	1.0
93.05446	19.7
93.06947	1.1
95.08533	59.3
96.08913	0.9
97.02824	26.8
97.06416	0.6
97.10098	12.7
99.04386	9.2
99.08004	0.5
99.11668	2.7
101.02337	0.7
103.03867	0.6
109.02829	10.0
109.10108	25.3
109.10860	0.9
110.87551	0.6
111.11675	2.7
115.03877	1.3
123.11649	10.8
125.13197	1.9
127.03883	23.4
137.13234	3.4
139.14833	0.6
145.03854	0.9
145.04942	19.5
150.46957	0.7
150.76190	0.6
151.14780	1.1
163.05974	13.2
165.16382	0.7
204.26688	0.5
221.22615	2.2
226.46733	0.5
239.21165	1.0
239.23637	25.2
240.23892	0.6
255.10715	4.3
257.24719	2.8
313.27441	1.1
326.09564	0.5
329.26883	2.7
341.26813	2.3
383.27850	25.9
383.32562	1.1
384.28400	0.6
401.28894	100.0
402.29333	8.6
475.32718	2.7
545.32935	1.0
662.14301	0.6
702.01990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74815	2.9
54.82005	3.0
55.05442	6.5
56.04978	3.2
56.96495	7.2
57.07016	25.6
57.87094	2.8
60.93649	3.1
63.50777	2.8
67.05428	47.0
69.06980	5.5
69.59428	3.6
71.07273	15.0
71.08533	17.3
72.52435	2.9
79.05394	4.9
80.42236	3.3
81.03300	3.2
81.06957	15.8
83.08532	6.3
85.10130	3.8
86.09630	58.1
86.54373	3.2
88.77314	3.1
89.05946	4.6
91.05364	4.3
95.08538	6.8
95.75130	3.3
107.04790	3.1
109.10103	26.1
135.06479	3.9
146.98154	46.4
151.11212	3.4
203.35342	3.8
259.16849	5.1
295.22510	4.0
317.17880	18.3
318.18332	3.8
325.95203	4.9
331.22388	14.6
335.18857	6.6
336.19189	3.5
337.20221	6.9
340.02863	4.6
364.28122	5.4
464.33032	3.7
489.35403	40.5
613.34735	100.0
671.35529	5.3
672.35541	27.6
672.41864	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	0.2
53.83939	0.1
55.05440	0.2
57.06741	0.2
57.07009	4.9
58.06520	1.1
70.06503	0.8
71.08545	2.2
72.08070	18.2
73.08385	0.2
85.10085	0.9
88.07560	1.5
90.09119	16.7
107.55765	0.2
128.42946	0.2
148.41808	0.2
214.25249	1.0
256.26425	0.6
257.26685	0.7
258.27866	100.0
258.97858	0.2
259.28192	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24208	1.2
55.05442	2.9
56.39452	1.5
57.46968	1.2
62.97783	1.2
63.01011	1.2
66.03046	1.4
69.03355	2.7
70.06527	10.8
72.07665	1.8
72.08069	42.3
81.03330	6.0
81.06946	1.9
84.08085	3.0
85.02811	3.4
85.75828	1.4
91.05382	16.8
97.02816	2.7
99.04382	1.6
99.70885	1.6
106.14224	1.6
109.02827	6.8
110.07063	2.0
114.05521	1.5
115.08655	1.7
117.03326	8.7
119.04896	33.3
124.03920	3.7
127.03899	3.6
133.10136	2.0
137.05984	12.4
145.02846	24.4
146.05989	100.0
147.04393	75.3
147.06250	3.5
148.04774	3.0
149.05919	3.0
151.03867	3.3
162.05492	18.3
163.03867	2.5
163.05852	2.0
163.61942	1.9
174.05447	8.9
177.05460	26.6
191.07056	2.1
192.06473	3.7
201.05371	25.0
201.12633	1.8
204.10223	2.0
207.06395	2.4
218.11652	6.4
235.07451	8.3
237.09064	2.2
256.05975	15.7
263.06915	21.5
264.07663	2.2
265.08548	9.2
276.03998	2.0
280.07169	9.2
282.02661	3.8
291.06387	20.7
295.09436	2.2
296.10532	2.9
308.06671	6.2
313.10492	2.5
323.09076	71.2
394.16302	2.5
422.15833	15.7
439.18591	46.6
585.22388	17.6
673.32690	32.4
674.31879	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	674.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	2.7
55.01801	3.0
57.03367	6.5
61.02847	12.1
65.03867	1.0
68.99707	0.8
69.03345	21.3
71.01272	0.7
71.04901	3.2
73.02827	3.4
80.11391	0.6
81.03328	8.1
83.04879	0.8
85.02822	100.0
87.04382	1.5
91.03879	4.2
97.02820	30.1
98.52394	0.6
99.04383	4.5
103.03908	0.9
109.02818	8.2
111.04395	15.3
115.03889	1.1
119.04913	0.8
121.92123	0.6
127.03862	21.3
139.03870	35.0
145.04929	25.5
163.05966	9.8
171.06479	22.1
183.06461	0.8
207.06526	1.1
207.22922	0.6
237.07526	1.3
249.73201	0.7
287.18747	0.7
289.09109	1.4
291.65073	0.8
297.09729	2.9
325.11368	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	674.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.9
56.96494	4.9
57.03391	0.8
67.05413	4.5
69.03352	1.7
69.06973	0.8
70.06503	4.6
79.05404	1.7
81.03334	2.3
81.06987	0.9
84.04440	1.3
84.08087	0.9
85.02832	5.3
87.94591	0.8
88.66351	0.8
89.55495	0.9
91.05404	4.2
93.06972	1.8
95.04874	0.8
97.02793	1.2
102.81222	0.9
103.43327	0.8
109.02820	2.0
109.10091	1.1
109.99072	0.9
119.04888	5.9
127.03857	1.1
130.06496	100.0
131.06837	1.8
137.05988	1.0
142.01672	1.3
144.08060	1.3
145.02814	5.2
146.06003	10.5
147.04391	7.3
151.11101	1.3
157.02840	1.5
158.01297	3.0
160.02826	1.5
162.05431	1.2
172.02510	0.9
172.20894	0.9
173.11629	1.1
175.03859	5.5
176.02196	0.9
177.05428	4.1
191.01572	1.4
191.99910	1.7
199.03905	3.8
207.06461	6.9
209.02730	1.2
211.03847	4.4
217.04916	1.1
219.02846	5.1
222.05519	1.3
229.04869	4.7
235.00536	1.5
235.98964	4.8
240.06511	1.4
245.02499	1.2
247.05962	1.0
247.08228	1.1
250.15125	0.9
253.01601	3.8
254.00110	1.0
255.02824	1.4
256.05750	1.0
257.06921	1.1
286.06744	1.3
289.01517	1.1
301.01501	1.5
302.04620	1.3
312.05048	3.7
320.05664	1.8
330.06006	2.2
346.03793	16.4
349.16949	1.3
364.04813	13.3
367.17920	1.0
401.16370	1.7
415.49771	1.0
431.77594	1.0
477.16574	1.7
495.17581	1.7
593.87073	1.0
656.25177	9.8
674.26514	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	674.3075
Annotation	N1,N5,N10-Triferuloyl spermidine
Peak:m/z	Relative Intensity
55.45613	0.2
56.96530	0.2
57.03377	0.3
59.62199	0.2
63.02302	0.5
66.88309	0.3
67.05427	0.5
69.03340	0.4
69.07003	0.3
70.06503	1.5
72.08070	4.8
73.76620	0.3
75.09144	0.3
81.03345	0.5
81.07003	0.4
84.08067	0.7
85.02831	1.8
89.03841	7.8
91.05392	0.7
95.01256	0.4
97.02838	1.3
103.05357	0.3
107.96333	0.3
109.10105	1.3
112.11222	2.2
117.03329	28.5
118.03584	0.3
119.04896	0.4
123.29140	0.3
127.03874	0.5
129.13824	1.4
130.06432	1.2
134.03607	2.1
135.04405	2.2
141.01814	1.1
145.02827	82.1
146.03154	0.6
146.05972	0.4
146.16466	0.5
147.04337	0.6
149.05959	11.0
155.11745	1.5
158.05905	0.3
162.05522	0.3
163.03868	1.1
173.11807	0.4
174.11971	0.3
177.05438	100.0
178.05783	1.7
186.05437	1.4
218.10620	0.4
221.36256	0.3
232.12057	0.5
233.12775	1.8
234.11214	30.9
235.11589	0.7
247.14381	1.7
248.12784	2.8
251.13855	0.5
299.14832	0.4
301.21646	0.6
305.18527	7.1
319.22543	0.6
322.21188	8.1
323.21472	0.3
348.18951	0.3
480.24826	20.5
481.23846	1.6
498.25891	37.3
499.26160	3.2
674.29865	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	674.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76025	0.3
51.31278	0.2
55.05453	2.5
57.07015	4.0
57.98877	0.3
60.27122	0.4
71.04910	10.4
79.05398	0.4
83.04900	20.8
84.05217	0.3
92.10889	0.4
95.04914	0.3
97.85215	0.3
101.05936	7.1
107.04893	66.1
108.05232	1.3
119.07025	0.4
121.06466	2.8
121.10065	0.3
147.08020	9.1
147.78044	0.3
149.04773	0.7
149.05951	19.8
150.06261	0.6
159.08025	5.1
160.08257	0.4
161.08063	7.9
163.11140	100.0
164.11499	3.6
201.08926	0.4
203.14276	5.3
205.12141	3.9
219.10106	0.4
219.17392	31.4
220.17615	0.8
235.12933	0.3
267.12204	52.6
268.12589	2.1
309.13177	0.4
323.18451	43.8
324.18802	2.0
365.19385	1.4
379.24600	2.1
415.17462	13.7
415.46878	0.4
416.17679	0.5
433.12836	0.6
433.18500	13.7
434.18665	0.8
471.23682	14.8
471.30383	0.5
472.23825	0.7
489.24689	14.0
490.25150	1.3
527.22217	0.7
527.29889	15.5
528.29919	2.1
545.30927	5.9
546.31140	0.5
583.35767	1.6
639.41980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89493	2.9
57.88358	3.6
89.05933	4.5
91.72097	3.6
92.25731	3.7
587.05194	4.3
607.00989	4.6
675.15735	4.9
675.26141	100.0
676.26611	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	675.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	2.3
53.50654	1.8
55.05442	12.8
57.03360	3.4
57.07013	15.6
59.16204	1.8
61.03042	1.8
63.14207	2.1
67.05424	36.5
69.06978	18.0
71.08542	5.1
72.08074	27.2
79.05406	18.4
81.06977	23.9
83.08541	3.8
91.05374	7.9
93.06963	17.3
95.04903	2.6
95.08539	25.0
97.06406	2.7
97.10106	3.9
104.22604	2.4
105.06973	5.3
107.08522	9.5
109.10124	7.8
112.99973	5.3
118.08598	2.9
119.08540	4.7
121.10023	2.9
121.35919	1.8
133.10069	2.8
135.11684	3.8
169.02588	3.9
170.36177	2.4
243.39499	2.2
245.14325	2.2
380.38553	3.0
387.00580	2.3
407.14011	24.0
545.45569	40.1
546.45917	33.5
674.48779	4.0
675.26373	100.0
675.51978	32.6
676.26001	11.1
701.13525	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	677.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89270	0.5
65.56223	0.5
69.03362	0.8
70.06512	1.2
72.08066	0.5
74.76152	0.5
79.05450	0.7
85.02835	5.6
86.09619	0.9
95.01276	0.8
95.01848	0.7
97.02858	1.1
107.04924	0.5
113.06146	0.5
115.08646	0.7
117.03340	1.1
119.04870	1.1
127.03871	1.0
141.01833	3.2
145.02838	3.3
145.04938	1.1
146.06017	1.2
147.04419	3.1
175.03987	0.6
177.05455	5.7
196.47914	0.6
203.05173	2.2
207.06549	0.8
207.88396	0.6
219.10730	0.8
222.42610	0.6
239.11189	0.7
245.12407	1.2
257.12302	4.2
271.13870	1.1
295.13992	0.7
321.70648	0.8
335.20517	8.9
337.23172	1.4
351.08786	0.8
353.21582	6.3
395.23456	3.4
413.23840	3.8
425.25034	6.0
455.26010	10.4
497.27005	20.9
498.27335	2.8
515.28162	55.4
516.28693	3.0
520.28619	0.6
677.33429	100.0
678.33942	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	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82089	3.4
55.05440	18.3
55.21397	3.1
56.47697	3.9
57.03357	7.4
57.06987	3.5
61.02854	42.9
66.73016	3.8
67.05432	100.0
69.03348	6.8
69.06982	8.3
73.02813	8.6
76.65540	3.5
79.05408	71.8
81.06979	83.7
83.08546	5.1
84.59415	3.4
85.02822	37.5
91.03882	34.0
91.05415	32.4
93.06443	4.3
93.06977	81.6
94.86800	3.6
95.04913	4.9
95.08532	58.4
97.02831	17.8
105.06963	23.3
107.08544	59.4
108.47737	3.8
109.10095	27.5
110.66946	3.6
114.37864	4.3
117.06973	15.8
119.08532	25.9
121.10092	44.7
123.11617	6.9
131.08562	18.2
133.10075	17.3
135.11673	28.0
138.94864	3.3
142.01546	3.7
145.04872	7.4
145.10118	29.2
147.11633	8.8
149.13231	21.2
158.75603	3.5
159.11621	17.1
161.13179	6.7
163.06013	7.2
163.14825	6.8
172.95151	4.5
173.13229	8.6
179.29584	3.8
187.14742	4.6
243.21004	23.5
261.19553	4.4
261.22095	70.2
278.72055	3.7
335.25626	8.7
353.26981	28.3
522.49890	4.5
547.47095	5.0
553.95709	4.1
633.78473	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	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	4.0
55.05452	22.5
55.34039	2.5
57.03363	7.6
57.07002	5.8
61.02857	31.0
63.12411	2.8
66.67110	2.6
67.05425	100.0
69.03328	3.6
69.06982	24.0
73.02824	5.4
79.05411	52.4
81.06516	4.2
81.06973	91.6
83.08531	12.7
85.02813	23.1
91.03875	19.9
91.05396	35.5
93.06430	5.0
93.06970	71.7
95.04852	4.2
95.08532	81.8
96.08852	4.4
97.02824	6.5
97.10078	5.2
105.06982	24.0
107.08538	44.7
109.10113	39.2
117.06945	6.2
119.08507	16.7
121.10117	38.7
121.18200	3.1
123.11653	15.0
127.03999	2.9
131.08519	19.9
133.10065	13.3
134.92758	3.1
135.11642	24.2
137.13333	2.9
145.10094	15.0
147.11665	13.8
149.13206	23.1
152.33656	3.7
159.11694	7.7
160.80968	2.9
161.13260	6.2
163.14748	15.0
169.60410	3.3
173.13211	11.8
173.86267	3.3
224.08304	3.4
243.21011	15.6
261.22040	61.6
279.23300	3.3
291.26999	3.4
335.25723	17.2
353.26770	22.6
447.80746	3.4
497.30893	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	1.6
53.78529	1.2
54.81706	1.3
55.05446	28.8
55.92556	1.0
56.04972	2.9
57.07021	1.7
69.03351	3.4
69.06980	2.2
70.06507	10.2
71.04928	1.3
71.56657	1.3
79.05415	2.2
81.03353	9.0
81.06988	7.2
82.06504	9.3
83.04898	5.4
83.08539	27.7
84.04462	1.4
84.08074	3.1
85.02835	5.3
86.09608	1.4
91.05429	7.7
94.06524	1.4
97.02839	5.6
97.06401	1.3
98.09626	76.2
100.07545	25.3
100.11186	92.1
101.71097	1.3
106.02864	1.6
107.04919	1.4
109.02869	5.9
110.06006	3.3
110.07111	2.5
111.04388	24.7
112.07550	12.0
115.22044	1.3
117.03343	3.4
119.04931	14.2
122.45146	1.3
124.03928	2.6
124.07574	1.6
124.36745	1.2
126.09138	8.6
127.03894	2.3
127.08644	3.1
128.07045	26.2
129.05487	2.1
139.08669	8.5
140.07066	9.1
145.02791	13.7
146.05975	37.3
147.04405	38.4
147.06299	2.3
148.04767	1.5
149.06010	1.8
162.05478	46.5
163.03966	1.7
163.05867	2.0
164.14296	2.5
166.15903	5.4
174.05457	3.4
175.03958	2.1
177.05449	17.6
180.13805	9.9
182.15372	99.9
190.05037	2.0
192.06621	2.6
192.13768	3.2
207.06557	3.0
208.06114	1.8
208.13353	6.5
209.16457	41.1
210.14861	100.0
211.15103	2.3
226.19183	5.7
227.17586	4.9
228.14027	1.4
228.16037	8.9
309.25293	2.6
324.26483	1.7
336.22797	8.0
337.21289	7.2
352.10382	2.1
432.33176	1.4
436.31625	1.7
453.34222	5.1
563.37817	2.2
580.40540	71.2
581.41138	3.3
659.48151	5.9
660.48071	1.8
677.49506	84.8
678.50269	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	679.1967
Annotation	alpha-Viniferin
Peak:m/z	Relative Intensity
51.02312	0.1
52.41107	0.1
53.03877	0.2
57.03366	0.2
59.05999	0.1
61.02834	0.1
64.94915	0.1
69.03356	1.5
70.06497	0.7
71.04904	0.5
81.03336	2.4
84.04423	0.2
84.08041	0.2
85.02820	1.0
91.05402	0.2
92.10260	0.2
97.02821	2.7
99.04375	0.7
109.02825	3.9
111.04344	0.1
118.06494	0.6
119.04924	0.2
120.05570	0.1
122.56093	0.1
127.03884	2.4
128.04919	1.6
132.04401	1.6
136.03909	1.6
145.02802	0.4
145.04924	0.2
146.05988	100.0
147.04381	0.5
147.06317	2.0
147.14609	0.1
155.11694	0.2
162.05402	0.9
164.03386	3.4
174.05467	12.9
175.05858	0.2
177.05426	0.5
182.04543	0.5
188.07037	0.1
192.06523	10.5
193.06880	0.1
207.87276	0.1
246.07578	0.6
254.08081	0.4
264.08517	0.5
300.08667	1.5
311.02414	0.1
318.09689	4.8
336.10715	3.5
337.52628	0.1
379.02838	0.1
668.91620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07006	1.7
59.06059	100.0
60.05579	21.6
60.08100	1.3
65.48415	0.8
67.05423	1.5
69.06974	1.0
71.08560	1.0
81.06983	1.0
90.49103	0.7
95.08582	1.2
142.48000	0.7
150.09032	1.0
182.39377	0.9
198.05734	0.9
303.97269	0.9
309.07150	0.8
511.95810	0.8
549.48657	4.0
550.48651	4.3
679.44531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37080	1.0
53.03891	1.9
53.12700	1.1
55.05215	1.6
55.05454	25.3
57.03363	8.7
57.07016	12.8
59.28348	1.2
61.02863	31.5
67.05084	2.8
67.05432	79.6
69.03345	2.3
69.06988	24.7
71.04903	1.6
71.08541	6.6
73.02821	12.7
74.67136	1.1
75.04379	1.9
79.05413	20.6
80.50537	1.4
81.03336	2.6
81.06979	100.0
81.31806	1.2
83.04890	2.7
83.08537	21.3
85.02831	33.9
85.06441	1.7
85.10116	1.7
87.76620	1.2
91.03871	25.4
91.05406	19.7
93.06978	29.4
95.08538	91.1
95.09154	2.9
97.02825	16.6
97.06453	7.9
97.10109	13.1
99.08012	2.2
105.06977	12.4
107.08549	21.0
109.09393	2.4
109.10102	39.1
111.08038	3.0
111.11682	2.6
113.09595	1.5
119.08531	15.3
121.09222	2.1
121.10080	21.5
123.11660	18.6
127.03852	7.8
133.10083	17.0
135.11693	11.9
137.13211	10.2
141.12662	1.5
145.04926	7.3
147.11661	10.9
149.13196	10.1
151.14868	3.2
161.13226	13.8
163.05969	11.0
163.14778	8.3
165.16302	5.8
167.02832	1.2
175.14777	8.3
179.17853	1.7
181.15884	1.9
189.16270	1.7
207.17447	1.6
245.22591	42.1
263.23657	69.9
294.66711	1.5
337.27350	38.9
355.28226	5.1
703.74890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49982	1.0
53.00255	1.5
53.03887	5.6
54.10250	1.1
54.81605	1.4
54.89484	1.0
55.01811	7.1
55.05452	35.9
57.03371	23.1
57.06758	1.3
57.07003	10.7
61.02851	39.2
67.05424	99.6
68.05750	1.4
69.03345	27.7
69.06981	30.1
71.01276	2.6
71.04906	7.6
71.08553	5.3
73.02829	17.8
75.04397	12.6
79.05407	46.4
81.03336	26.2
81.06972	100.0
83.04882	10.3
83.08537	16.3
85.02821	57.1
85.06468	3.0
86.18611	1.1
91.03870	35.7
91.05402	36.6
93.05448	27.3
93.06970	53.0
95.01299	1.3
95.04876	15.0
95.08528	73.8
97.02815	26.8
97.06456	5.4
97.10078	5.2
99.04387	5.3
99.08005	4.8
101.02245	1.3
103.03886	3.0
105.06966	39.0
107.04900	6.8
107.08530	26.8
109.02816	7.0
109.06476	5.4
109.10097	27.7
111.04398	7.8
111.08029	2.2
112.53887	1.2
115.03902	2.0
115.41409	1.1
116.16918	1.6
117.06973	13.6
119.08535	27.5
121.06444	8.1
121.10082	19.3
123.04353	4.5
123.08006	2.0
123.11634	11.8
127.03857	17.9
129.05481	1.3
129.06955	10.0
131.04922	1.5
131.08531	25.9
133.06458	5.2
133.10104	20.5
135.08044	2.2
135.11652	11.6
137.09624	1.9
137.13243	2.2
141.06970	1.4
143.08551	10.4
145.04933	13.6
145.06470	1.7
145.10059	15.3
147.04419	1.6
147.08017	2.6
147.11649	9.6
149.09598	1.9
149.13232	8.2
151.11116	2.3
155.08504	2.3
157.06490	2.1
157.10042	5.6
159.08005	2.6
159.11646	8.7
161.09579	1.2
161.13200	9.4
163.05978	16.3
163.14809	5.0
165.12682	2.2
167.08583	2.0
169.10101	1.7
171.11641	2.8
172.95139	1.5
173.13231	7.5
175.14774	6.1
177.12643	1.7
177.16434	1.7
185.13211	2.5
187.14783	2.3
189.16304	4.5
199.14905	1.6
201.12827	1.5
201.16409	2.9
205.15913	2.1
207.13675	1.5
213.16316	1.7
215.14301	1.8
217.15831	1.5
231.55638	1.2
235.13165	1.9
243.21140	1.3
244.66092	1.3
255.10664	2.6
257.15103	1.4
259.17319	1.6
261.22156	2.2
263.23611	7.6
273.22314	2.2
275.23618	2.6
277.14444	1.8
279.23132	5.1
291.23065	2.9
293.24710	5.5
303.23178	5.0
305.24759	2.4
317.24701	6.2
321.24197	2.3
329.24634	2.9
333.24255	1.7
343.26312	6.0
347.25607	1.4
353.24823	9.9
361.27173	1.3
367.15671	1.7
371.25766	30.1
371.90320	1.3
372.25882	1.6
385.17535	1.2
389.26709	24.3
407.27844	31.9
425.28540	10.4
642.45471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	1.4
53.03880	1.6
54.48241	0.9
55.05447	24.8
57.03360	6.8
57.07012	12.9
61.02851	21.4
65.03853	1.8
67.05425	88.5
69.03354	1.5
69.06647	1.7
69.06986	29.2
71.04906	1.8
71.08529	6.8
73.02815	6.2
79.05399	25.7
81.06973	100.0
83.04884	1.3
83.08534	22.1
85.02823	19.9
85.06462	2.1
85.10133	1.2
86.16862	0.9
91.03880	17.6
91.05412	16.8
93.06370	1.2
93.06966	27.5
95.04879	1.5
95.08530	84.5
97.02823	9.7
97.06441	7.5
97.10106	11.6
99.07995	2.7
99.13896	0.9
105.06973	13.8
107.08541	21.1
109.06482	1.2
109.09399	1.8
109.10103	37.8
111.08039	2.2
111.11670	1.6
116.90279	1.2
119.08548	14.1
121.10104	22.5
121.81756	1.2
123.07967	1.2
123.11634	13.8
125.09570	1.6
125.13198	1.1
127.03863	4.7
133.10086	16.7
135.11667	10.4
137.09564	1.6
137.13252	8.7
141.12753	1.8
144.50314	1.0
145.04942	1.7
147.11679	11.8
149.13158	8.8
151.14763	5.6
161.13213	13.7
163.05899	4.5
163.14809	8.2
165.16376	6.9
172.38264	1.1
175.14763	12.0
177.16428	1.4
179.17928	5.8
189.16364	2.4
207.17506	1.2
210.47983	1.2
230.24719	1.9
245.22568	41.8
263.23633	55.1
337.27298	44.7
338.27844	1.7
349.77658	1.3
355.28262	6.0
499.32361	5.5
622.09918	1.1
630.21033	1.2
697.56714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26008	0.5
57.07009	0.6
62.26125	0.6
66.48864	0.5
86.12607	0.6
108.72316	0.7
164.81107	0.6
203.14313	0.7
219.17352	4.7
232.56268	0.6
287.65579	0.7
368.42426	0.6
401.22772	1.1
502.47696	0.6
514.95837	0.6
527.55121	0.6
550.48529	0.6
679.41699	100.0
680.42047	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	1.0
56.20741	0.8
70.06525	1.3
79.71554	0.8
83.58736	0.8
86.09648	1.3
91.05431	1.3
100.11175	2.3
107.00826	0.9
111.04424	0.8
117.03285	1.4
145.02843	2.2
146.05988	2.0
162.05443	1.0
174.89563	0.9
177.05412	3.4
210.14893	1.6
215.11253	3.7
216.88400	0.9
233.12248	2.0
243.14331	2.1
253.12688	2.0
261.15436	1.0
271.13757	6.5
291.31570	1.1
294.51712	1.0
333.18811	3.8
351.21329	100.0
352.21170	3.5
369.20953	4.1
443.23459	1.0
529.95203	1.2
574.83752	1.1
679.50952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.1
53.03881	0.3
53.06779	0.1
55.01818	0.1
55.05450	20.0
57.07010	1.2
58.06527	0.2
60.19803	0.1
66.17102	0.1
67.05420	0.8
69.03353	0.1
69.06989	1.3
70.06510	1.6
74.09560	0.1
79.01808	0.1
79.05424	0.3
81.06973	1.2
82.06499	4.9
83.04901	2.4
83.08537	18.2
84.08064	1.7
84.08881	0.2
85.06470	1.1
91.05402	0.2
93.06973	0.1
94.06499	0.3
95.02839	0.1
95.04905	0.1
96.08042	0.5
97.06448	0.6
98.09626	3.0
100.07552	7.9
100.11185	100.0
101.05944	0.1
101.11510	1.0
105.06943	0.1
106.50200	0.1
108.08080	0.1
109.06496	0.2
110.05987	3.7
111.04388	12.1
112.04736	0.1
112.07547	4.4
112.11179	0.7
117.13820	1.3
119.08531	0.2
122.05990	0.1
124.07553	0.3
126.09109	3.1
127.08629	2.7
127.09528	0.1
128.07036	8.8
129.05421	0.8
129.07437	0.1
131.08476	0.1
136.11188	0.1
139.08640	5.6
140.07031	3.8
142.08574	0.1
147.11658	0.9
149.13283	0.4
150.12766	0.1
164.14336	1.2
166.15842	1.3
168.13809	0.8
174.12755	0.3
175.11147	0.3
177.05403	0.1
182.15369	41.5
183.15746	0.9
192.13788	1.7
193.12146	0.2
199.18344	0.1
199.21716	0.1
209.16455	32.8
210.14856	43.7
211.15147	0.9
226.19101	6.8
227.17496	3.7
227.19705	0.2
228.15883	3.7
245.18562	0.8
293.22308	0.1
301.18967	0.1
308.23581	0.2
308.26846	1.1
309.21793	0.2
309.25223	2.0
310.42746	0.1
318.21783	0.1
325.29440	0.1
326.27948	6.3
327.28632	0.3
335.24393	0.9
336.22733	4.2
337.21100	1.2
343.30603	2.5
354.24335	0.1
417.32208	0.3
430.63196	0.1
434.34909	0.3
435.33145	1.6
436.31577	0.7
452.17935	0.1
452.35800	2.5
453.34097	1.5
471.35074	0.1
496.76981	0.1
534.43805	0.7
552.44629	1.3
562.39484	0.1
569.46997	0.1
661.49982	6.8
662.50171	0.4
679.51007	75.4
680.51276	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	680.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	29.8
56.04978	1.7
56.45362	1.1
60.44773	1.1
65.03855	1.1
67.05442	1.9
69.06950	2.0
70.06508	21.5
71.06816	1.5
72.08071	6.6
82.06520	1.7
83.04903	2.8
83.08549	23.8
84.04440	1.7
84.08063	8.8
85.06451	1.5
86.09641	8.5
91.05373	2.2
97.06454	1.5
98.09620	1.6
98.82779	1.3
100.07542	8.5
100.11186	89.2
100.52848	1.3
101.11512	2.1
105.06985	1.5
109.02708	1.7
110.05997	3.3
111.04395	17.3
112.07562	5.6
117.03328	1.6
117.13925	1.5
118.12296	1.6
119.04900	1.6
124.03951	2.0
126.09122	2.7
127.08636	1.5
128.07072	10.2
129.05389	2.2
129.10262	2.3
139.08636	2.7
140.07060	5.4
145.02861	7.2
145.58792	1.4
146.06006	11.5
147.04385	3.1
162.05522	5.6
177.05502	7.4
182.15367	47.2
183.15773	1.8
192.13821	2.4
209.16457	20.1
210.14867	52.0
210.16718	2.8
211.15201	2.8
226.19119	2.5
227.17531	5.4
228.15971	3.2
327.26755	1.9
337.21262	1.8
453.34283	2.4
515.40002	1.7
662.48511	8.4
680.49487	100.0
681.49493	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22938	0.1
55.01817	0.3
57.03368	0.3
61.02842	0.1
69.03347	0.2
73.02848	0.1
75.83326	0.1
76.55837	0.1
85.02830	0.4
87.04447	0.1
89.23418	0.1
94.03986	0.1
97.02815	0.1
97.89155	0.1
115.03893	0.1
119.03523	0.2
120.08029	0.1
133.04887	0.1
136.06165	100.0
137.04546	0.3
137.06601	1.6
193.57536	0.1
205.59244	0.1
205.81749	0.1
223.36913	0.1
268.10352	16.7
269.10559	0.6
279.03757	0.1
469.04538	0.1
496.67239	0.1
566.16821	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	682.525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	3.0
55.05459	33.8
56.60569	3.1
57.03368	20.8
57.07005	16.1
60.05578	6.3
65.71146	3.1
67.05082	5.2
67.05433	100.0
69.06992	37.6
70.05692	2.9
71.04902	4.4
71.08542	17.1
73.02779	3.4
77.06838	2.8
79.05408	73.8
81.06974	95.4
83.08531	16.6
85.06497	4.2
89.05920	4.1
91.05413	45.9
92.10281	3.7
93.06982	82.1
95.04887	7.0
95.08533	60.2
95.56174	3.6
97.06490	4.0
99.08054	14.2
105.06976	37.3
107.08536	43.3
109.10087	24.2
111.08034	4.6
117.06974	21.2
119.08573	34.2
121.10117	28.3
129.06929	4.4
130.41356	3.6
131.08530	28.0
133.10060	17.1
134.98196	4.4
135.11664	13.7
145.10120	21.3
147.11687	15.0
149.13185	13.1
159.11617	6.4
161.13171	6.8
173.13261	6.7
187.14703	4.2
227.12793	5.0
229.14340	4.2
243.20976	6.2
250.15999	3.7
269.17395	7.8
335.25589	16.2
437.34183	5.3
473.36322	4.6
511.37140	4.8
517.39203	4.1
529.38818	60.3
547.39966	4.9
570.45410	4.7
571.46082	5.5
611.46332	7.8
629.47217	17.1
631.39996	4.0
687.42542	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	683.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34521	0.5
57.03344	0.6
57.06146	0.4
62.19548	0.5
64.32781	0.6
69.03339	3.2
70.06506	4.9
72.08060	1.3
81.03334	3.9
84.04424	0.8
84.08057	0.7
84.95947	0.5
85.02822	5.3
87.03099	0.5
91.77309	0.5
97.02840	4.2
107.04900	9.6
109.02836	4.8
110.07125	1.0
115.47897	0.5
119.04895	1.2
127.03887	2.0
134.06009	1.1
136.07494	0.6
141.01814	0.6
145.02858	1.0
146.05968	2.6
146.99545	0.6
147.04335	2.3
151.03847	1.3
151.13869	0.6
162.05473	59.9
163.05873	0.6
175.03944	0.8
177.05444	2.2
183.61253	0.5
190.04951	8.3
204.06459	2.3
208.06026	6.7
209.53159	0.6
242.05765	1.1
258.05157	2.1
270.05182	9.7
273.03766	1.0
282.02747	1.3
286.04807	1.1
287.05389	5.0
301.03360	2.8
302.04068	3.3
315.04929	41.3
316.05276	4.8
316.08719	0.7
331.08057	100.0
332.08389	5.5
334.09012	2.1
352.09799	0.8
363.10052	0.7
370.16125	0.6
478.13269	0.8
488.27618	0.6
504.14563	2.8
507.11047	3.6
514.15039	0.8
683.14075	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	683.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	1.6
55.01809	1.3
55.05451	31.6
56.01316	1.6
65.69880	1.0
69.03343	2.0
70.06520	14.5
72.08069	30.0
78.20698	1.0
79.05402	1.0
81.03315	1.8
83.04871	1.2
85.02809	1.9
91.05421	1.8
97.02801	1.3
98.05982	100.0
99.06295	1.2
99.09134	16.8
103.05365	1.7
115.05368	1.4
115.08639	82.5
117.03303	1.6
119.04854	2.5
124.03895	1.7
127.08589	2.1
130.06476	1.2
131.04929	1.5
133.02788	2.6
137.05927	10.7
145.02785	10.4
146.05977	4.4
147.04398	4.1
148.04968	1.1
149.05849	1.5
150.05466	2.2
150.06714	1.0
151.03824	2.2
151.68472	1.2
162.05444	7.9
165.07777	11.2
177.05446	11.6
178.38388	1.2
191.06979	2.2
192.06546	1.7
236.12799	2.0
246.11151	1.3
247.90302	1.1
255.06485	2.7
256.07159	1.5
263.13828	21.4
264.14627	4.7
282.02960	1.2
284.06610	2.0
299.05310	2.5
307.66425	1.1
315.04977	4.6
321.79565	1.3
329.06210	1.8
338.20724	1.3
345.09616	25.0
401.61523	1.1
563.70294	1.2
665.26813	9.7
683.27820	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05058	0.8
53.03877	0.9
54.81646	0.9
55.01818	1.4
55.05188	1.1
55.05453	31.7
56.01336	3.4
56.97623	0.8
61.16140	0.8
69.03347	1.7
69.05710	0.9
70.06510	13.5
72.08070	31.2
81.03308	1.1
84.08049	1.2
85.02818	1.1
91.05391	2.3
98.05988	100.0
99.09177	15.5
103.05431	1.4
105.06969	1.3
109.02879	1.3
115.08644	90.3
116.08974	1.0
117.03299	3.7
119.04909	1.6
121.06465	1.7
127.08614	3.5
131.04913	3.5
133.02840	7.4
135.04385	1.3
137.05963	14.3
145.02811	10.9
146.05994	8.3
147.04399	4.5
149.05954	1.6
150.05527	3.2
151.07506	1.5
160.05136	1.4
161.05905	1.3
162.05463	5.0
163.03897	6.0
164.07133	1.3
165.05415	2.2
165.07799	11.0
175.03889	1.2
177.05441	13.4
177.78017	0.9
179.03380	4.8
191.06964	2.3
192.06493	1.1
192.10269	1.6
207.06659	1.1
233.58888	0.9
239.57886	1.1
263.13843	27.3
264.14505	6.6
265.15347	1.1
278.92841	0.9
282.02878	1.2
304.09161	0.9
552.51947	1.2
665.27155	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05417	0.6
67.80695	0.6
70.06510	8.1
81.03326	0.7
92.10235	2.8
147.04372	0.9
164.21078	0.6
201.09669	1.2
213.09628	3.8
215.43437	0.7
219.10863	1.8
224.08900	0.9
231.10742	13.8
241.09163	4.5
242.09891	3.3
243.14481	1.1
247.08456	0.6
260.10989	1.0
317.19391	1.2
335.20432	6.0
353.22876	100.0
354.22937	3.7
371.22760	10.6
387.20438	0.9
457.53592	0.6
638.10187	0.8
683.45288	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	684.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	0.8
55.01813	2.4
55.05448	14.1
57.03373	10.3
57.07006	5.1
59.04936	5.0
60.05556	0.6
67.05427	97.2
68.05746	1.5
69.03323	0.7
69.06989	10.9
71.04900	4.0
71.08549	3.3
79.05412	8.8
81.03333	1.2
81.06973	21.9
83.04903	1.0
83.08083	0.9
83.08543	11.7
85.06464	3.0
85.10090	1.2
91.05402	7.2
93.06970	12.9
95.04887	1.7
95.08536	15.8
97.06453	1.4
97.10111	3.4
99.08022	1.5
103.03889	0.8
105.06986	3.7
107.08521	7.0
109.06496	0.9
109.10105	100.0
110.10428	2.6
111.08041	4.2
119.08546	9.3
121.10096	3.5
123.08002	0.7
123.11683	1.2
125.09583	1.1
133.10135	3.4
134.98161	2.7
135.11674	1.4
137.09604	6.7
139.11049	2.3
145.10065	0.8
147.11679	1.0
149.13275	1.0
151.11139	1.1
155.10611	5.7
173.11690	37.6
187.47580	0.7
229.14293	82.7
230.14571	1.5
241.19447	0.7
277.21561	5.1
295.22632	3.3
325.54050	0.8
351.25137	6.5
369.26172	6.6
428.30170	0.7
510.51968	0.7
572.47382	5.9
573.47931	0.8
684.46185	5.2
685.43805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.7
55.01801	2.9
55.05194	1.5
55.05450	43.5
57.03140	1.0
57.03373	17.5
57.06995	6.5
65.03844	1.9
67.05424	81.1
69.03334	2.2
69.06984	37.0
69.45564	1.1
71.04892	1.5
71.08545	21.2
75.28715	1.1
79.05404	35.3
81.03345	2.2
81.06972	79.8
83.04886	7.1
83.08540	30.3
85.06467	1.6
91.05396	27.6
92.64169	1.4
93.06960	32.3
95.04876	6.9
95.08526	57.8
97.06445	7.4
97.10093	33.0
99.02593	1.3
99.08033	10.9
105.06973	17.5
107.08529	23.8
109.06477	1.9
109.10096	27.8
111.08014	3.0
111.31981	1.3
119.08556	11.0
121.10099	10.5
123.11633	9.0
125.09564	17.3
131.08501	3.1
133.10101	12.0
135.11655	10.3
137.09518	1.5
145.10039	2.9
147.11667	7.4
149.13231	6.4
151.11139	13.0
159.11679	3.3
161.13211	7.7
163.11140	3.0
163.14784	1.4
171.62912	1.4
175.14778	2.3
179.14200	5.3
189.11168	12.0
196.88936	1.4
229.14218	5.7
241.19528	1.4
245.22571	2.1
263.23608	5.9
269.17371	2.7
277.21503	24.0
295.22638	8.4
337.27289	100.0
338.27570	6.7
491.37341	2.2
507.36658	1.7
531.40387	11.6
549.41302	2.3
631.48309	2.0
685.46216	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	684.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48182	0.7
51.03044	0.6
53.00255	2.7
53.03876	0.8
55.01807	5.0
55.05451	40.6
56.41098	0.7
57.03374	16.0
57.07010	9.4
65.03855	4.1
67.05428	100.0
68.05769	1.0
69.03334	1.7
69.06989	34.7
71.04908	5.0
71.08549	14.4
74.80812	0.8
79.05408	36.9
81.03331	3.4
81.06973	89.3
82.07311	1.6
83.04903	4.4
83.08540	27.0
85.06474	4.7
85.10111	1.1
91.05402	24.3
93.06969	39.2
95.04895	7.2
95.08533	59.0
96.08842	1.2
97.06478	6.9
97.10110	17.2
99.08016	8.2
105.06974	17.9
107.04882	1.4
107.08534	24.4
109.06454	3.0
109.10106	36.0
110.10463	1.4
111.08012	6.8
111.11659	0.9
113.05902	0.8
114.38399	0.8
117.06942	4.5
119.08529	15.8
121.06519	1.0
121.10097	15.5
123.08011	1.2
123.11665	8.9
125.09591	9.5
127.41019	0.9
129.06981	0.8
131.08482	6.0
133.10110	14.2
135.11661	9.5
137.09602	1.8
137.13184	1.2
139.11139	1.5
143.08507	1.1
145.10139	1.6
147.11650	8.3
148.28912	0.9
149.13269	8.9
151.11162	7.6
159.11659	4.5
161.13211	5.2
163.11121	1.7
163.14806	1.8
165.12677	1.4
173.11696	4.6
175.14793	1.4
177.12769	1.2
179.14355	1.3
189.11165	7.0
189.16414	1.2
195.13747	1.4
227.12727	7.6
229.14287	9.2
245.22647	1.2
263.23572	3.3
269.17450	10.9
277.21506	12.0
295.22656	4.5
333.24533	0.9
337.27310	43.8
338.27536	3.5
349.20239	1.1
351.25220	6.9
369.26212	4.5
380.90277	1.1
491.37234	12.7
492.37292	1.1
507.36530	1.1
531.40350	53.2
532.40546	5.6
573.48529	1.9
613.48340	10.9
631.49353	8.7
684.45129	1.4
685.40686	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	685.435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09316	1.3
51.37898	1.7
54.93636	1.4
57.07007	1.8
61.42006	1.5
93.07014	1.7
95.08549	1.9
97.28606	1.6
145.79868	1.5
158.33461	1.6
340.05203	1.7
375.30731	2.0
434.46729	1.8
573.48700	7.0
605.69464	1.6
685.43445	100.0
686.43695	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	685.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18376	1.2
60.05587	1.8
62.62629	1.1
67.05427	7.5
68.53664	1.2
71.08551	1.3
79.05421	2.2
81.06982	3.2
91.05387	2.3
93.06981	2.5
95.08546	5.1
105.06980	1.6
121.10152	1.4
122.45792	1.3
149.13380	1.6
333.20432	8.8
389.22845	6.3
471.04086	1.6
685.46436	100.0
686.46924	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	686.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02985	1.2
69.03354	1.9
70.06496	2.0
85.02831	3.7
97.02840	2.3
105.22814	1.3
116.98628	1.7
119.01897	1.8
155.06743	12.6
161.03021	2.6
162.05479	6.1
163.03928	2.9
172.00769	1.5
185.04175	9.0
203.05235	2.4
221.05032	2.2
230.04300	3.5
240.07135	8.8
266.05075	10.3
280.49982	1.5
282.02972	2.9
308.06070	2.1
317.12000	100.0
392.09406	80.4
410.09140	2.9
524.15820	6.2
537.82538	1.5
686.21100	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	686.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.3
53.53272	0.4
53.54348	0.4
54.81497	0.4
55.01818	0.4
55.05444	0.4
61.02843	0.5
63.29692	0.4
65.03858	5.2
67.05418	1.7
69.03349	1.7
70.06496	2.8
72.08057	0.5
81.03316	0.8
84.04443	0.8
84.08056	0.8
85.02816	1.7
89.03851	1.0
91.05407	11.4
93.03329	5.0
95.04894	0.8
97.02818	100.0
98.03117	0.5
102.05491	0.5
103.05396	0.7
107.04844	0.7
109.02862	0.5
110.07113	0.6
111.04409	1.0
115.05401	0.6
117.03300	2.9
119.04890	24.1
121.02819	3.0
121.06426	0.7
123.04391	0.7
123.76781	0.4
124.03866	0.5
125.02324	0.6
127.03857	1.7
129.10112	0.5
131.04907	0.7
131.08545	1.8
135.04440	0.5
136.07576	0.6
137.08197	0.4
139.03851	1.0
140.04660	2.3
141.06924	3.0
144.05696	2.0
145.02805	9.5
146.05977	2.8
147.04376	25.1
148.04785	0.5
149.02295	8.2
149.05984	1.0
151.03894	1.0
153.05353	0.8
154.06239	2.0
155.06993	1.7
155.40089	0.5
157.03947	2.1
157.06467	0.8
159.08028	3.7
162.05464	3.8
163.03865	2.0
167.03354	26.9
167.04773	1.0
167.07036	0.6
169.06415	2.3
171.08012	0.5
175.03859	38.9
177.05429	14.3
177.06895	0.7
179.07025	2.5
181.04933	3.4
187.07457	5.0
193.08611	0.8
196.05049	0.6
197.05959	2.6
207.06483	51.3
208.06831	1.8
209.08130	0.7
215.07024	2.2
218.09377	1.7
219.06528	1.7
219.10072	3.2
229.08557	5.4
243.06470	0.5
247.09697	3.6
252.26663	0.5
257.07980	4.5
275.09048	10.5
303.08734	3.0
321.09604	15.8
326.23935	0.4
339.10666	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	686.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02326	0.3
51.06915	0.2
53.00254	0.3
53.03885	3.2
53.59575	0.2
55.01813	0.4
56.96479	0.2
57.03384	1.5
61.81543	0.2
69.03347	7.5
70.06519	1.1
71.01258	0.2
71.04897	1.0
72.08067	0.4
73.02829	1.0
78.03367	8.4
78.03790	0.3
79.05397	0.3
80.04910	1.8
81.03334	14.1
84.04422	0.4
84.08107	0.3
85.02827	8.3
86.09629	0.3
87.04390	0.3
91.05408	0.5
95.04886	0.4
96.04411	6.6
97.02824	7.7
99.04379	3.4
103.03893	0.4
106.02857	47.0
107.03245	0.5
107.04893	28.3
108.05182	0.2
109.02830	8.7
110.07137	0.4
114.37168	0.3
119.04907	0.3
119.77807	0.2
121.02822	4.7
122.09650	0.2
124.03908	100.0
125.04256	1.9
127.03854	6.7
128.04228	0.3
136.65331	0.2
139.53452	0.2
145.02847	0.5
145.04951	1.0
146.06007	1.0
147.04364	1.2
147.06242	0.2
149.05977	0.5
151.03854	0.4
162.05481	1.2
166.04973	0.8
167.07056	0.4
175.03926	0.3
177.05415	1.0
196.05981	0.5
207.06352	0.3
208.05954	0.4
232.06084	0.4
250.04703	0.4
250.07057	7.2
251.07359	0.3
268.08090	40.1
269.08478	1.7
278.11255	0.4
323.09070	0.3
374.12073	1.2
390.13785	0.4
402.11859	2.0
420.12759	1.9
462.13702	0.4
528.14984	0.3
536.28918	0.2
546.15912	9.4
547.15973	0.3
564.16998	28.8
565.17059	2.5
686.11908	0.3
686.22650	8.6
687.22614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95012	0.5
54.84450	0.5
56.13926	0.5
63.71845	0.5
70.06499	2.6
72.08086	0.8
81.03332	0.8
85.02831	0.8
86.09630	0.8
91.05402	1.2
92.10918	0.8
93.07007	0.7
93.91801	0.6
97.82910	0.6
105.06954	0.9
107.04913	0.9
109.02827	0.9
119.04876	0.7
121.06457	1.4
124.03913	0.7
131.13553	0.6
145.02843	1.1
146.05980	7.8
147.04384	4.7
151.03888	1.0
162.05481	8.5
177.05409	2.6
234.88110	0.7
239.33054	0.6
278.28476	0.6
304.37686	0.7
364.56235	0.7
403.16196	100.0
404.16492	6.6
502.57434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	6.1
56.99376	0.9
57.03373	1.1
57.07000	8.0
67.05425	16.0
69.06995	4.8
71.08548	5.0
79.05424	6.1
81.06985	17.5
81.51173	1.0
83.08556	4.6
85.10120	1.6
86.57286	1.1
91.05400	2.2
93.07000	6.3
95.08526	14.8
105.06995	1.8
109.10154	4.7
112.99984	4.5
119.08585	2.6
124.88753	1.3
150.10741	1.0
185.64417	1.1
225.95972	1.0
231.72972	1.2
335.21750	7.4
391.24628	2.0
463.64246	1.2
575.50244	28.4
576.50421	2.1
607.22534	1.2
687.47974	100.0
688.48285	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	688.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.8
55.01813	1.5
55.05441	2.1
57.03367	5.6
59.04928	0.7
61.02845	7.7
61.03359	0.6
62.58797	0.9
67.05417	1.3
69.03347	19.2
70.06487	1.7
71.01250	1.5
71.04896	1.7
72.08047	1.0
73.02827	10.4
79.05428	1.0
81.03330	9.1
81.06966	3.4
82.06461	0.9
83.01244	1.3
85.02828	100.0
86.03165	1.0
87.04377	1.3
91.03889	3.7
91.05415	3.9
93.06948	1.0
95.00670	1.9
95.01257	42.5
95.08538	1.3
97.02824	34.4
97.10112	1.8
98.20365	0.9
99.00735	3.8
99.04402	2.0
100.07588	1.0
100.11183	7.6
101.02319	1.6
103.03867	4.2
105.06990	3.6
107.08526	3.4
107.17713	0.9
109.02837	10.2
109.10110	3.7
111.04360	1.3
113.02320	6.7
119.04882	5.6
119.08544	1.0
121.10075	1.9
123.00671	1.2
123.04414	1.1
124.03964	2.9
127.03867	20.7
131.03357	1.9
131.08537	1.6
133.10123	1.9
135.04424	0.9
135.11687	1.3
141.01807	79.0
142.02080	1.4
145.02895	2.1
145.04941	23.2
146.06023	15.3
147.04396	14.9
147.06282	1.5
147.11664	1.8
149.05986	2.0
153.09036	0.9
159.02821	8.3
162.05466	11.8
163.05974	11.8
163.07338	1.5
173.09610	1.1
173.13239	1.1
174.05524	1.2
177.03967	1.2
177.05434	4.7
182.15379	4.7
191.10657	1.9
204.10310	1.4
205.12198	1.3
209.16396	1.2
210.14868	1.6
241.19424	3.7
251.17941	2.0
269.18927	5.7
285.05682	1.3
287.19995	9.4
315.19427	4.0
321.08176	3.4
323.09106	1.5
333.20499	12.0
356.11850	7.0
356.15662	0.9
429.94547	0.9
477.24194	1.1
525.22736	0.9
569.62927	1.0
575.57977	1.0
688.51025	1.6
689.25775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	0.4
57.06746	0.3
57.07015	8.3
58.06523	0.5
62.06005	0.4
63.30762	0.3
68.04992	0.4
70.06140	0.4
70.06512	9.1
70.82108	0.3
70.99151	0.3
71.08548	3.2
85.10108	0.7
86.09607	0.3
88.07556	14.4
92.10902	0.5
97.10096	0.3
102.09116	3.8
106.08617	7.5
123.31889	0.3
136.58897	0.3
162.41066	0.3
212.23698	3.9
213.24022	0.4
230.24789	0.4
256.26315	5.7
274.27356	100.0
275.27673	3.3
308.81900	0.3
392.80103	0.4
608.47632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40500	0.5
52.65454	0.5
56.45634	0.5
64.15922	0.5
68.98810	0.6
70.06477	0.8
117.03367	1.3
124.52384	0.6
126.94069	0.8
144.08038	3.6
145.02808	5.2
173.82988	0.6
177.05478	7.3
248.09926	0.8
271.13519	0.8
353.22894	100.0
354.23138	3.9
359.13568	57.1
360.13858	1.5
488.84488	0.8
576.16626	0.7
689.35120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	3.0
57.07001	3.0
60.33924	1.6
62.57532	1.5
67.05437	7.0
69.06970	3.3
71.08542	3.9
79.05416	3.2
81.06990	8.3
83.08552	3.7
85.10091	1.7
85.33489	1.5
85.95271	1.6
93.06976	2.6
95.08549	7.4
106.11736	1.6
107.08533	2.5
109.10113	3.3
113.00001	3.6
141.36072	1.8
162.98050	1.7
185.23438	1.7
339.72852	1.9
349.26389	1.7
353.23123	9.0
577.51855	8.2
689.49506	100.0
690.49701	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	689.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55467	0.3
62.91316	0.4
67.16386	0.4
70.12189	0.3
71.21769	0.4
81.06982	0.5
91.74280	0.4
110.70882	0.4
139.71989	0.5
199.60078	0.4
266.72882	0.4
335.21759	0.4
353.22824	0.8
689.49463	100.0
690.49860	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	689.496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	3.9
57.07019	4.8
67.05442	9.1
81.02883	3.5
81.06976	7.3
92.10975	8.5
95.08558	6.0
162.93074	4.8
269.13544	8.2
409.25662	14.9
491.46317	4.5
577.51630	6.7
581.99915	4.1
689.49567	100.0
690.49420	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	689.495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	2.4
57.03375	0.5
57.07014	3.7
67.05437	4.2
69.06979	2.7
71.08549	1.7
79.05417	1.6
81.06973	5.4
83.08536	2.5
85.10109	0.7
86.50426	0.4
89.05964	0.9
93.06973	0.9
95.08535	4.3
97.10091	0.6
102.03931	0.4
107.08546	0.6
109.10125	1.7
111.11670	0.4
112.99992	0.7
121.10114	0.5
123.11652	0.4
133.08588	0.4
135.11697	0.5
142.67844	0.3
151.11188	0.3
175.33209	0.4
183.28877	0.4
184.64285	0.4
269.78775	0.3
353.23022	2.0
409.25784	2.2
561.48718	3.5
577.51648	7.9
688.48083	0.8
689.49493	100.0
690.49786	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	690.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.0
54.81752	0.2
69.03336	0.9
72.08058	0.5
76.04568	0.2
79.05378	0.3
80.34843	0.2
81.03333	4.7
84.08103	0.3
85.02818	1.2
86.09613	0.2
89.03825	2.5
91.05383	0.8
97.02284	0.3
97.02827	3.7
99.04384	1.3
107.04910	1.5
109.02824	13.6
117.03323	4.6
119.04893	1.1
120.50631	0.2
124.03918	0.3
125.05981	0.3
127.03879	7.6
130.06445	0.3
135.04381	13.7
139.03889	0.3
145.02815	12.5
146.03215	0.4
146.05983	3.2
147.04408	2.5
147.06352	0.3
150.59200	0.2
151.03932	0.3
162.05429	2.4
163.03862	100.0
164.04208	2.1
169.04929	1.7
175.03928	0.3
177.05431	1.3
204.10159	0.5
207.06442	0.3
229.07036	0.7
262.65268	0.2
282.02670	0.3
367.10165	4.3
416.20547	0.2
444.10422	0.2
528.48260	0.2
592.77167	0.2
690.30615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92972	0.9
53.03893	0.9
53.77468	1.0
55.01816	2.0
57.03365	7.4
58.06554	0.9
61.02862	9.2
67.05432	1.8
68.82047	0.9
69.03355	14.8
69.06969	0.9
70.06498	5.9
71.04911	1.3
73.02833	10.0
74.45586	1.1
79.05383	1.8
81.03329	5.3
81.06963	2.7
85.02828	100.0
87.04408	2.2
91.03872	4.4
91.05377	1.8
93.06950	1.8
95.01257	34.3
95.08545	2.8
97.02231	1.9
97.02824	30.8
99.00726	2.0
99.04374	2.5
103.03880	2.5
105.06979	1.9
107.08513	1.9
109.02824	7.4
109.10110	2.5
113.02283	5.9
115.03858	1.2
117.03374	1.8
117.06999	1.9
119.04887	2.7
119.08555	2.7
123.11678	1.4
127.03874	25.0
131.03372	2.0
133.10048	2.1
133.37204	1.1
135.11671	2.0
141.01805	82.0
145.02805	4.8
145.04929	30.2
146.05972	6.3
147.04402	7.1
147.11655	4.5
149.06000	1.2
159.02879	9.5
161.13211	6.7
162.05472	6.0
163.05977	12.0
173.13194	1.6
177.03908	4.4
177.05458	6.2
180.08749	1.5
187.14780	1.2
207.06546	1.9
241.23088	1.1
243.20972	17.7
253.19469	2.2
271.20511	7.5
289.21570	12.4
314.46469	1.3
317.21066	6.7
321.07999	6.2
335.22098	13.2
356.11761	7.7
390.29321	1.5
520.39783	1.1
536.13489	1.1
646.20612	1.3
689.48999	5.3
690.49170	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	690.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30073	2.7
50.79816	2.7
51.80075	2.4
55.05447	30.4
57.07008	11.7
67.05423	23.5
69.06992	53.0
69.92869	2.9
70.06490	16.7
71.04903	7.4
79.05424	3.1
81.06973	29.4
83.08547	5.7
85.02830	4.4
85.10094	4.4
89.80196	3.0
91.05408	4.4
92.10882	3.8
93.07011	5.3
95.08513	30.0
97.10102	3.2
101.94023	2.7
109.10104	16.1
113.02339	15.5
123.11661	5.6
139.19807	3.3
145.02863	4.5
159.02927	21.9
177.05457	6.9
190.74704	3.6
210.22034	3.7
222.22061	4.9
227.16310	3.1
234.18973	3.1
298.16980	2.9
320.33026	32.5
338.33957	34.6
477.97513	3.3
514.37054	11.5
543.23846	3.4
610.16003	3.1
621.19617	3.8
672.38782	6.3
681.13287	3.3
690.40570	100.0
691.40619	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	693.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.5
54.81748	0.1
55.01820	0.1
57.03366	0.4
61.02848	0.1
69.03352	1.5
70.06510	0.6
71.04897	0.4
72.08062	0.1
73.02819	0.1
73.96595	0.1
76.62229	0.1
77.03810	0.1
78.03342	0.1
81.03337	2.6
85.02815	1.3
86.09622	0.1
88.41129	0.1
89.03771	0.1
91.05413	0.4
96.04433	0.1
96.28951	0.1
97.02824	2.6
99.04364	0.7
106.02872	0.7
107.04928	0.1
109.02826	4.0
110.03162	0.1
117.03296	0.1
118.06480	0.5
119.04882	0.1
122.05941	0.2
124.03902	2.5
127.03867	2.2
128.04898	1.5
132.04391	1.8
135.03162	0.1
145.02823	0.5
145.04904	0.2
146.05980	100.0
147.04398	0.4
147.06328	3.1
150.05473	3.2
160.07562	0.1
162.05441	0.9
174.05460	14.0
175.05782	0.5
177.05394	0.7
178.04933	3.9
181.04884	0.1
188.07018	0.4
190.05035	0.1
192.06509	11.2
193.06865	0.4
196.06036	0.2
207.06416	0.2
218.07948	0.1
242.08133	0.1
246.07623	0.6
254.08005	0.3
264.08615	0.6
268.08011	0.8
282.02847	0.1
282.07672	0.1
300.08588	1.5
318.09659	3.9
336.10696	3.7
337.10776	0.1
451.15677	0.1
530.14667	0.1
585.17017	0.2
675.47406	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	693.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16871	1.8
54.81236	2.0
56.71512	1.7
56.96498	16.7
70.06497	9.0
72.08034	2.2
93.06964	2.5
117.03339	4.8
120.08073	2.6
145.02821	8.7
146.05957	10.4
146.99669	2.3
147.04321	2.7
162.05440	4.7
177.05479	15.9
181.25699	2.5
199.06357	2.3
203.05933	3.4
213.07961	3.4
217.07458	12.9
229.07458	23.7
231.08932	5.1
236.54939	2.2
243.08946	5.1
247.08487	42.1
253.11226	2.5
255.09047	16.5
257.10532	2.7
259.12219	3.7
261.09796	2.6
269.10532	19.7
271.12024	8.3
273.09979	19.9
281.10516	3.2
287.11526	11.4
293.10443	14.1
311.11603	33.6
317.17532	4.3
329.12689	3.1
333.17258	32.3
334.31006	2.2
335.18921	39.1
351.18341	100.0
353.19727	22.6
369.19403	65.3
375.18210	2.7
387.20401	23.4
387.38571	2.6
393.19315	11.0
411.20456	67.1
429.21454	9.0
441.21414	25.4
443.46112	2.5
471.22498	22.4
513.23785	30.1
531.24896	23.1
553.69794	2.3
556.76245	2.4
655.07611	2.1
693.30121	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	0.2
54.81681	0.3
57.07016	7.8
58.06526	1.6
68.05811	0.2
70.06512	17.7
71.08545	2.7
72.08083	0.3
75.32632	0.2
84.08070	0.3
85.10110	1.1
88.07554	22.6
89.07887	0.4
92.10316	0.5
102.09117	14.1
103.09451	0.3
129.07137	0.2
131.15370	0.3
132.10184	0.4
146.11729	0.6
150.11259	0.6
158.02354	0.3
195.78790	0.3
212.23792	1.1
235.06514	0.3
256.26303	43.9
257.26642	2.6
300.28903	2.9
318.29968	100.0
319.30295	5.4
340.28214	4.2
375.51846	0.3
409.42175	0.3
471.20319	0.3
713.00812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03363	3.4
61.02845	3.8
63.44007	2.2
66.71934	2.7
69.03345	48.7
73.02826	3.7
73.06458	12.4
81.03337	37.9
85.02823	100.0
87.00746	46.2
92.11008	4.0
97.02807	33.4
98.97521	3.8
99.04359	19.4
101.05965	5.8
105.01165	3.2
105.01810	62.4
109.02838	26.3
123.85918	2.7
127.03877	70.7
134.99670	3.5
136.06148	4.9
145.04944	16.2
158.99658	5.2
159.02863	6.6
160.25429	2.6
162.05438	4.9
172.02065	3.4
181.08604	5.0
182.18524	2.9
199.09624	5.1
231.04968	12.1
237.02820	3.7
249.06064	6.9
303.10699	35.5
309.08490	12.7
312.59979	2.8
321.11832	32.6
361.10977	11.6
420.86932	3.2
498.24261	3.1
590.50885	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	694.399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26057	0.6
54.81702	0.6
55.05445	0.9
57.07011	2.7
59.58009	0.6
60.05566	1.2
72.08074	5.0
73.08391	1.1
73.77795	0.7
74.05981	1.3
74.09626	100.0
74.53097	0.7
94.23167	0.9
98.39334	0.6
107.87544	0.7
115.62677	0.8
116.66856	0.7
121.22488	0.8
125.09634	0.8
223.05125	3.3
279.11221	0.9
327.07733	0.9
372.43509	0.8
377.09689	0.7
421.60562	0.9
600.96704	1.0
621.30444	3.2
650.95319	0.9
693.44958	8.8
694.45386	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	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80878	1.5
52.77239	1.4
53.00243	2.3
53.01995	1.6
53.03881	8.3
55.01805	9.4
55.05456	33.4
56.96472	1.6
57.03135	2.0
57.03376	37.3
57.07015	3.1
61.02859	50.3
65.03850	2.4
67.05432	86.8
69.03355	28.4
69.06993	23.9
71.04906	9.7
73.02844	21.3
73.95736	1.7
75.04396	13.6
79.05413	81.5
81.03342	33.5
81.06978	88.6
83.04916	13.7
83.08537	12.3
85.02833	66.9
85.06459	3.6
85.26187	1.9
88.19450	1.9
91.03883	54.0
91.05407	60.3
93.05445	38.7
93.06979	100.0
95.01263	2.0
95.04897	19.6
95.07967	3.0
95.08541	68.4
97.02824	38.5
97.06464	9.4
97.10092	3.5
99.04363	7.8
103.03859	3.8
103.05382	2.6
105.06976	62.6
107.04887	7.3
107.08541	49.8
109.02829	6.7
109.06470	9.0
109.10104	26.3
111.04375	8.3
111.08029	3.1
115.03880	4.4
115.05424	3.6
117.06979	33.9
118.07296	2.1
119.08547	43.1
121.06460	6.8
121.10104	32.6
123.08044	2.8
123.11646	8.0
125.09647	2.6
127.03907	17.0
128.06166	2.8
129.05457	2.8
129.06944	22.8
131.08533	48.3
133.06483	3.5
133.10120	35.0
135.08047	9.3
135.11647	21.9
137.09555	2.5
141.06961	3.7
143.08524	19.4
145.04959	18.7
145.06415	6.9
145.10133	39.5
147.08087	8.0
147.11690	21.3
149.09575	3.8
149.13223	12.7
151.11073	2.4
155.08502	7.7
157.06456	1.9
157.10051	16.8
159.08012	2.4
159.11653	22.6
161.09605	2.8
161.13239	14.0
163.05959	26.9
163.11166	2.2
163.14738	7.3
167.08496	2.3
169.10101	3.8
171.07924	2.9
171.11684	11.1
172.95190	14.7
173.13271	15.1
175.11131	4.0
175.14818	2.5
179.08456	2.2
181.10081	1.9
183.11661	3.2
185.13266	3.8
187.14757	4.1
190.96223	11.0
195.11642	2.3
197.13283	2.0
199.11105	2.1
199.14874	6.0
201.12805	2.2
209.13232	3.0
211.11205	2.1
215.14217	2.1
228.97769	2.5
235.13086	2.1
239.14340	2.1
249.14853	2.2
252.52560	2.1
255.10594	14.1
259.20493	7.1
261.22073	13.7
271.20447	2.6
273.22235	3.8
277.21524	4.2
289.21533	3.5
291.23163	3.0
295.15570	2.0
297.21918	2.0
301.21555	3.6
303.22986	8.1
313.21759	2.9
315.23077	7.0
316.99261	2.9
319.19098	2.3
319.22629	2.5
327.23093	6.5
337.20386	7.5
341.24667	7.2
345.24176	2.4
351.23105	8.5
359.25854	2.1
369.24173	36.5
370.24368	2.6
387.25275	31.5
405.26215	49.2
423.27448	21.7
473.19543	9.4
497.30750	2.6
523.99835	1.9
635.24390	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	694.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.6
53.03887	4.2
54.06844	0.3
55.05446	1.2
57.07012	30.3
60.15155	0.4
63.81278	0.4
67.05421	5.3
69.03360	0.6
69.06983	1.1
71.08189	0.7
71.08552	16.6
81.03338	25.8
81.06985	7.7
82.07252	0.5
83.08532	1.9
85.10110	9.1
88.05012	0.8
95.08530	11.8
96.99135	0.5
97.02824	15.1
106.01584	0.5
106.87208	0.4
108.46892	0.5
109.02831	100.0
109.10114	3.3
110.03151	0.7
113.93512	0.4
123.11698	0.7
123.98244	0.5
127.03880	42.7
127.11138	3.0
139.03856	4.1
155.14285	9.3
169.04918	17.6
183.17392	6.7
184.07391	0.9
211.94183	0.5
323.18594	0.7
555.35095	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	694.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02330	0.9
53.00260	1.2
53.99759	0.9
57.07014	49.1
59.04926	1.9
60.05574	1.5
75.54704	1.2
91.05391	4.4
147.11665	7.5
233.03496	1.7
251.04639	11.6
268.12396	1.3
300.38382	1.2
307.10983	1.4
327.07742	100.0
328.08124	2.7
383.09329	2.1
383.13995	42.1
384.14218	1.9
385.68198	1.5
439.20306	69.7
440.20435	5.8
492.12845	1.2
495.26511	62.8
496.26859	5.7
551.32550	21.2
607.38983	49.9
608.39172	5.5
663.45227	56.1
664.45221	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	695.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41761	0.9
57.07008	1.4
57.25944	0.8
67.05412	1.1
70.12657	1.0
81.03318	1.5
84.00933	0.8
93.06984	1.2
95.08528	1.2
119.08566	1.1
146.00748	1.1
151.11230	5.2
293.21115	2.5
294.21674	1.2
426.50183	1.2
695.39124	100.0
696.39148	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	697.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.4
54.24195	0.2
55.05452	21.1
56.04940	0.2
57.06997	1.2
58.06527	0.3
67.05415	0.5
67.09606	0.3
68.84821	0.3
69.03342	0.4
69.06973	0.6
70.06509	3.1
72.08060	0.4
74.23254	0.2
81.03312	0.5
81.06978	0.3
82.06507	3.2
83.04891	1.6
83.08540	15.4
84.08057	1.7
84.08850	0.3
84.45783	0.3
85.02814	0.4
85.06474	0.6
91.05393	0.4
97.02817	0.6
97.06446	0.5
98.09611	2.6
100.07545	8.4
100.11188	100.0
101.11510	2.2
106.02854	1.8
107.04897	1.2
110.05970	2.1
111.04392	13.5
112.07538	3.4
117.13860	1.8
119.04866	0.4
124.03931	3.1
126.09113	3.0
127.08634	1.4
128.07043	9.3
129.05463	1.2
139.08650	2.3
140.07043	3.7
145.02855	0.3
147.04361	1.0
147.11633	1.0
149.13318	0.3
162.05472	1.8
163.03799	0.3
164.14317	1.6
166.15887	0.6
168.13873	0.3
182.15370	40.0
183.15808	1.1
192.13766	1.8
198.49132	0.3
207.06595	0.6
208.06245	0.3
209.16461	22.3
210.14864	45.8
211.15228	1.3
226.19116	4.5
227.17477	5.3
228.15900	5.6
229.11993	0.3
245.18596	1.7
268.08142	0.7
308.26990	0.3
309.25497	1.3
326.27875	3.1
336.22778	2.7
337.21310	2.1
343.30548	5.1
435.33145	1.5
452.36127	0.4
453.34180	3.9
471.35269	2.8
564.17010	0.7
569.47205	0.6
581.59991	0.3
679.50903	1.6
697.52081	87.1
698.52380	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	698.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29950	0.1
55.01786	0.1
57.03362	0.4
62.06460	0.1
69.03327	0.1
73.02823	0.2
81.04432	0.1
84.04394	0.1
85.02821	0.4
86.57759	0.1
97.02791	0.1
109.05051	0.1
110.03468	1.1
128.04489	0.9
135.02968	1.0
136.06113	0.1
152.05637	100.0
153.04053	6.7
153.05142	0.2
153.06036	1.4
154.02452	0.2
172.87218	0.1
185.39195	0.1
194.24582	0.1
227.06757	0.1
237.02930	0.1
284.09824	4.2
285.10080	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	698.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62970	4.7
55.05462	64.9
57.03371	11.3
57.07005	37.6
57.41397	5.1
61.02855	44.9
67.05426	66.6
69.06988	90.0
70.07328	6.7
71.08543	13.7
73.02784	6.6
78.00552	5.6
79.05412	32.1
81.06964	67.4
81.42079	5.9
83.08549	58.0
85.02825	47.4
91.03873	36.6
93.06966	35.2
95.08541	80.6
97.02828	13.9
97.06481	10.2
97.10079	34.3
107.08540	24.5
109.10091	37.6
111.08012	10.0
111.11646	12.4
121.10114	68.3
123.11680	7.7
135.11671	49.4
145.04956	13.9
149.13263	13.1
163.05911	7.2
247.09265	7.1
247.24141	32.3
265.25143	88.7
283.26352	12.0
339.28934	100.0
357.29837	81.6
371.21585	13.3
406.78827	6.7
647.57489	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	698.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00227	1.2
53.03879	6.9
53.59928	1.6
55.01810	6.9
55.05453	65.6
56.95418	1.3
57.03374	34.6
57.06761	2.5
57.07010	31.2
59.04917	1.7
60.09582	1.4
61.02566	2.5
61.02858	56.5
67.05431	90.9
68.05733	1.6
69.03014	1.8
69.03351	32.3
69.06992	91.0
71.01287	2.0
71.04906	8.6
71.08546	16.8
73.02829	23.0
75.04404	17.4
79.05409	45.4
81.02908	3.0
81.03339	53.3
81.06976	100.0
83.04888	10.6
83.08538	58.0
83.37933	1.6
85.02828	82.3
85.06448	3.3
85.10092	3.4
86.03139	1.4
87.04406	1.8
91.03880	53.5
91.05368	14.1
92.63568	1.6
92.93852	1.6
93.05450	35.9
93.06976	56.5
95.04886	11.0
95.08533	87.3
97.02833	46.4
97.06452	10.6
97.10109	33.4
99.04387	12.8
103.03899	2.1
105.06982	19.9
107.04902	3.5
107.08552	34.9
109.02842	10.8
109.06475	8.2
109.10117	42.2
111.04366	9.9
111.08026	6.4
111.11677	15.1
115.03919	3.1
117.07024	2.9
119.08553	13.0
121.06451	6.9
121.10101	53.2
123.04373	2.8
123.08004	2.1
123.11639	11.5
127.03879	23.5
129.06949	1.9
131.08530	9.2
133.06470	2.4
133.10092	7.9
135.08046	3.2
135.11679	34.1
137.09601	1.8
137.13222	1.8
137.55986	1.6
145.04945	22.2
145.06062	1.8
145.06473	1.9
145.10135	8.2
147.08057	2.2
147.11682	3.2
149.09648	2.2
149.13248	12.1
151.14809	6.9
152.44012	1.4
152.98091	1.5
159.11630	2.6
161.09608	1.8
161.13219	6.5
163.05980	30.1
163.14760	6.7
165.16440	2.0
167.08340	1.8
175.14821	2.2
177.16362	3.7
189.16302	2.3
190.19084	1.6
193.15886	2.0
209.63460	1.8
219.17407	6.0
232.41757	1.7
235.16937	2.2
237.18521	2.3
247.24178	8.5
255.10646	7.0
263.23672	1.8
265.25211	15.6
305.24829	3.4
307.26270	6.7
317.24564	2.9
319.26108	2.5
323.25638	3.4
331.26309	3.3
339.28821	2.0
345.27615	1.9
349.27231	8.9
355.26157	7.0
361.27264	2.6
373.27319	37.8
391.28360	56.0
392.28555	4.0
409.29413	88.0
410.29755	7.6
427.30527	46.8
501.34430	3.6
546.58197	2.2
571.34863	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	699.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84943	0.9
56.66273	0.9
57.76736	0.9
66.24752	1.0
69.03352	1.7
71.35310	0.9
74.81002	1.1
85.02829	2.7
103.53664	1.3
115.94901	1.0
131.01826	1.7
137.02966	1.5
143.01917	1.3
148.90656	1.1
161.02922	8.8
173.02946	2.0
173.06621	2.0
175.04456	4.9
176.63266	1.2
177.06100	1.4
179.01839	1.2
185.06586	2.6
186.61188	1.1
191.07591	4.9
196.93759	1.3
203.04022	1.8
203.07614	2.7
215.07538	1.6
221.05058	1.8
227.05240	1.6
257.08707	1.2
275.11108	10.1
293.10812	8.5
313.50690	1.3
317.12048	32.5
335.11792	7.6
336.53629	1.2
361.10983	100.0
362.11163	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	699.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95219	0.3
53.03893	0.4
65.40444	0.4
66.03297	0.4
67.05436	0.5
74.04697	0.4
74.36246	0.4
79.05440	0.6
82.36486	0.4
87.77567	0.4
95.08534	0.5
132.09979	0.5
169.73639	0.4
185.04153	0.8
194.05618	0.5
203.05302	3.0
259.07956	2.1
347.09464	1.9
365.10550	3.9
421.13162	1.9
445.16199	0.5
485.14984	0.6
537.30194	27.1
538.30823	2.9
550.33527	0.6
699.35455	100.0
700.35797	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	699.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17775	0.7
53.49217	0.9
55.05440	2.0
57.07012	9.8
62.73684	0.7
67.05421	8.0
69.03353	3.3
69.06984	0.9
70.13519	0.8
71.08556	4.8
77.82146	1.0
79.05421	1.4
81.03328	2.2
81.06973	4.8
83.08544	1.0
85.10114	1.8
91.98813	0.9
93.06975	1.2
95.08524	6.5
97.20100	0.8
102.12669	1.0
109.02863	4.9
109.10123	1.3
121.10157	0.9
127.03867	1.6
139.79282	0.8
144.16629	0.9
160.83835	0.9
303.10812	0.9
392.10672	1.1
467.21136	1.1
499.33221	1.1
527.24451	1.4
699.39050	100.0
700.39270	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	699.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05395	0.8
56.96430	12.0
56.96741	1.4
65.30018	0.3
71.95107	0.5
83.08473	0.8
95.55004	0.3
95.87798	0.3
97.96693	0.5
112.96748	0.3
123.05239	0.4
128.98483	1.5
141.02148	0.7
145.01689	0.4
146.99615	2.4
148.00395	0.7
155.03664	0.7
157.01604	0.5
157.15268	0.3
162.05405	0.3
171.03120	0.8
173.04701	1.4
175.02507	0.4
185.04704	1.8
189.04164	1.8
197.04729	0.5
199.06349	3.4
201.04318	0.5
201.07881	1.6
203.05800	3.2
205.07430	0.4
211.06300	2.4
213.07939	3.6
215.02141	0.8
215.05798	0.5
215.09383	0.5
217.07407	12.0
219.08888	2.2
221.08551	0.5
225.07976	3.2
227.05853	0.7
229.07402	25.3
230.07721	0.4
231.08966	13.5
235.08382	0.6
237.07845	0.7
237.09978	0.5
239.05884	0.7
239.09355	2.3
240.06505	0.5
241.07329	0.5
241.11113	3.5
243.08852	4.6
245.06721	1.4
245.10400	0.8
247.08456	44.4
248.08815	0.8
251.09402	2.9
252.09036	0.6
253.11053	0.5
255.08914	2.6
257.06903	2.9
257.10214	2.7
258.07501	2.2
259.12085	11.3
261.09995	2.3
265.09439	0.4
269.10519	25.4
270.10461	1.5
271.11942	0.6
273.09985	2.4
275.07791	1.4
276.08652	2.6
281.10385	0.5
287.11566	22.9
288.11707	0.4
292.11911	0.5
299.11456	0.4
309.17136	1.5
315.16129	0.5
323.18881	1.4
333.17230	11.8
334.17599	0.5
351.18301	33.8
352.18735	1.9
353.22794	0.5
369.19351	100.0
370.19620	4.5
374.19824	1.4
387.20425	37.9
388.20758	1.5
392.20355	0.4
396.52530	0.4
410.21976	3.3
699.43341	29.3
700.43646	2.6
728.54041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49973	0.4
51.63529	0.5
54.81825	0.5
56.48263	0.4
56.96498	10.0
56.96758	1.0
61.85595	0.4
71.95133	0.9
91.20372	0.5
94.48887	0.4
97.96700	0.5
104.51515	0.5
110.97458	0.7
128.98488	2.4
128.99373	0.6
131.00081	0.6
143.00119	0.6
146.99603	4.7
148.00398	3.5
160.00356	0.8
161.01137	0.7
165.00676	0.7
166.01393	0.6
167.63818	0.5
171.03233	0.7
187.27313	0.6
189.04282	2.2
191.05832	0.7
192.37105	0.6
197.01166	1.1
199.06377	4.4
201.00688	1.1
201.07866	2.2
202.05165	0.9
203.05826	3.3
203.09477	0.8
204.02887	0.6
211.06224	3.6
213.07930	2.1
215.02176	5.1
217.07411	16.1
219.09001	3.6
221.06766	0.6
227.05888	2.4
229.07420	43.4
230.07834	0.8
231.09015	4.8
231.14397	0.5
235.08485	0.8
239.05814	1.8
240.06653	1.2
241.07448	1.0
241.11011	0.9
243.08957	3.1
245.06837	2.8
247.08467	83.2
248.08887	2.0
252.08980	1.1
255.09113	0.7
257.06915	7.7
257.10596	1.0
258.07632	6.7
259.08441	2.9
259.12061	4.1
261.09976	2.8
262.07181	0.6
269.10519	2.9
270.09937	2.0
273.10031	2.1
275.07919	3.5
275.11285	0.6
276.08688	9.2
277.09436	0.6
284.89352	0.6
287.11560	4.0
290.06421	0.6
309.17282	2.5
315.16229	0.6
333.17218	10.7
351.18323	23.0
352.18771	1.9
369.19360	49.4
370.19803	2.2
374.19812	0.6
387.20438	100.0
388.20874	4.5
410.22110	4.1
699.43372	39.7
700.43823	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	699.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	1.1
56.96502	22.2
61.10242	0.8
67.21904	1.0
72.95966	0.9
76.70280	0.8
76.93902	0.9
77.86221	1.1
77.91656	0.8
128.98611	1.4
145.02776	1.1
146.99692	4.1
147.04413	2.3
148.00462	2.0
172.50475	1.2
177.05473	1.3
185.04851	1.8
189.04524	2.0
190.28755	1.0
194.38315	1.1
199.06487	2.3
201.08070	1.7
203.05902	2.3
211.06375	3.5
213.08064	6.7
216.06931	1.1
217.07443	17.2
218.04640	1.1
219.09004	1.7
221.06990	1.0
223.10191	1.8
225.08002	2.4
229.07416	29.1
231.09016	21.9
237.08052	1.1
239.05913	1.9
239.09549	4.2
241.11127	6.7
243.09109	5.9
245.10504	1.4
247.08479	52.4
251.09613	2.2
255.09094	6.3
257.07022	4.0
257.10516	9.0
258.07660	3.6
259.12085	30.5
261.10062	1.7
267.08881	1.1
269.10538	39.6
269.13235	1.4
270.10611	1.2
273.10168	4.5
275.08173	1.3
275.11810	4.3
276.08838	6.1
287.11618	32.0
288.11896	1.5
292.11993	1.2
293.18570	1.3
309.17419	1.7
333.17203	9.1
351.18295	30.2
369.19373	90.2
370.20096	5.1
387.20468	100.0
388.20837	4.8
410.22061	9.8
645.48535	1.0
699.43475	48.9
700.44305	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	700.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00610	1.2
52.60459	1.0
59.96103	1.0
65.03863	2.4
86.19517	1.3
86.39512	1.2
139.03908	2.0
147.04465	1.8
149.02318	100.0
149.03391	5.9
150.02565	1.5
177.05467	2.2
193.04926	67.9
223.69162	1.4
234.92487	1.2
237.07523	51.8
277.26962	1.2
297.03787	1.5
341.06302	2.8
369.19345	3.0
385.08978	6.3
388.70096	1.2
403.10300	1.9
429.11691	9.1
473.14264	2.9
569.27808	1.4
621.15424	5.0
622.33063	1.6
665.18011	5.8
685.70691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	3.3
54.81826	0.6
55.05425	0.6
57.03369	0.6
61.02793	0.6
69.03352	9.7
70.06499	6.2
71.04916	0.9
73.02821	0.9
78.03374	9.7
80.04943	1.5
81.03333	16.2
83.04897	0.8
84.04437	2.1
84.08053	2.3
85.02830	7.2
91.05406	1.0
93.06995	0.7
96.04406	5.4
97.02816	8.1
99.04395	3.0
101.05977	0.8
101.95831	0.7
106.02859	51.1
107.04889	29.9
109.02829	10.9
110.07115	1.2
115.79845	0.6
119.04881	2.4
121.02840	1.0
124.03909	100.0
125.04295	1.1
127.03891	6.1
129.10185	0.6
136.07564	1.1
145.02814	1.1
145.04970	0.9
146.05943	1.2
147.04356	4.5
149.05931	0.6
151.03873	1.2
162.05457	4.6
166.05032	0.9
177.05402	2.3
186.35153	0.6
195.18120	0.6
195.20538	0.8
207.06517	1.4
208.05898	0.9
237.02586	0.6
250.07034	8.2
268.08096	39.0
268.10995	1.3
269.08405	1.1
402.11429	0.7
420.12988	1.0
546.15820	9.4
564.17004	31.2
565.17273	1.3
700.24542	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	700.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81408	0.2
55.05464	0.2
56.27388	0.1
65.07053	0.2
67.05452	0.3
68.93891	0.2
70.63661	0.1
73.43005	0.2
76.56068	0.2
81.51114	0.2
83.85989	0.2
92.63474	0.2
142.89192	0.2
156.29280	0.2
391.16525	0.9
530.18665	0.2
639.61462	0.2
659.28607	100.0
660.28998	7.1
660.40210	0.3
700.31317	5.0
701.31793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87106	1.8
55.05452	15.7
57.03379	16.3
57.07014	100.0
61.02855	25.0
62.97219	1.5
67.05434	27.4
69.03347	15.7
69.06985	22.8
70.06477	1.9
71.08192	3.4
71.08547	76.6
73.02818	9.1
75.04356	3.7
76.60291	1.8
81.03348	17.9
81.06972	40.8
83.08533	20.9
85.02825	50.7
85.10111	38.5
88.79452	2.1
89.05944	2.6
89.81336	1.8
91.03877	29.4
93.05436	18.9
93.06905	2.6
95.08530	52.1
97.02818	33.8
97.10111	19.0
99.04384	8.4
99.11649	2.2
102.53728	2.0
109.02814	4.9
109.10095	26.7
111.11675	4.4
115.03910	2.3
119.04900	3.9
123.11658	8.2
127.03868	17.6
133.22081	2.2
137.13254	2.7
145.04956	17.2
147.04379	22.9
163.05969	11.7
173.16257	2.3
204.10199	9.6
255.10539	2.2
267.26785	20.0
350.76651	2.1
381.79251	2.0
411.31116	26.1
429.26465	4.1
429.32013	88.7
430.32333	4.9
554.43768	6.0
698.72491	2.4
700.40851	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	701.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.5
54.04873	0.5
54.81322	0.6
55.05442	0.7
60.07825	0.6
62.86094	0.5
65.76313	0.5
67.05405	0.7
69.03331	0.7
70.06511	8.1
70.13647	0.6
72.08078	8.1
74.05946	0.8
79.05383	0.8
81.03316	0.9
81.06956	0.7
84.04443	0.8
84.08068	1.1
85.02802	0.9
89.03840	5.0
91.05399	2.9
92.10216	0.8
92.63566	0.6
95.04903	5.1
97.02813	0.9
98.05978	1.7
103.05396	0.6
104.65927	0.6
105.03357	0.8
106.02893	0.9
107.04906	2.4
109.02826	1.3
115.08632	3.5
117.03323	20.8
119.04921	1.2
122.03577	3.0
123.04366	4.6
124.03907	2.9
124.05122	0.9
125.06017	0.7
127.03864	0.7
129.10147	0.9
133.02814	1.6
134.03586	1.0
135.04361	4.0
136.05052	0.7
137.05956	22.6
139.07545	1.2
140.04674	1.4
141.06613	0.7
145.02829	74.7
146.03169	1.3
146.06018	7.8
147.04370	2.8
149.05971	10.6
150.03117	3.9
151.03787	0.9
155.07027	1.1
162.05449	9.0
163.03864	3.8
165.05457	13.7
167.06981	1.3
175.03941	0.9
177.05438	100.0
178.05766	3.0
179.06993	0.9
183.06497	1.4
185.07393	0.7
193.04942	43.4
194.05324	1.3
195.06496	0.8
196.03625	0.9
207.06422	0.8
211.07549	0.9
248.12723	1.3
265.15445	1.6
283.05923	1.2
283.09268	0.8
291.13376	12.5
298.08411	1.4
299.09006	0.9
328.09262	1.3
349.06778	0.9
358.10196	0.7
359.11118	5.1
362.25125	0.7
378.09839	3.8
414.33847	0.8
419.13144	3.0
420.13892	1.4
437.16794	4.3
439.18503	2.7
441.19800	1.1
489.22256	1.0
507.23398	1.1
613.21191	2.6
635.25433	3.2
683.27557	1.5
701.31140	1.3
717.14838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72374	0.1
92.10991	0.2
96.57519	0.1
130.92805	0.1
131.41637	0.2
138.00307	0.2
176.45419	0.1
247.25394	0.1
349.80130	0.2
361.73297	0.2
683.48352	0.8
701.49225	100.0
702.49530	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	702.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.6
55.01811	11.1
56.36676	0.4
56.56184	0.3
57.03371	10.0
61.02848	4.6
62.09284	0.3
69.03344	36.2
71.01241	0.4
71.04893	1.9
73.02828	6.5
77.48790	0.3
81.03340	4.1
83.01278	0.4
85.02822	100.0
86.03166	0.5
87.04382	0.7
91.03875	1.8
97.02816	35.3
98.03163	0.4
99.04383	8.5
101.02309	5.9
103.03858	0.8
107.71533	0.4
109.02812	5.1
115.03867	4.1
119.01846	0.4
127.03867	81.6
128.04201	0.6
145.04930	55.3
146.05243	0.4
149.98596	0.3
161.02962	0.6
163.04587	0.5
163.05965	16.0
173.02946	0.5
180.08606	4.2
181.07086	0.5
198.09718	2.4
219.01744	0.5
228.60352	0.4
253.06578	0.4
259.08041	3.3
277.09109	0.5
289.09192	4.7
293.10678	0.4
307.10062	1.4
309.05585	0.4
325.11188	9.9
343.12317	0.7
359.46643	0.4
360.14752	2.6
362.09647	0.9
472.83481	0.4
671.14410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02334	0.1
53.03885	0.5
55.01794	0.1
57.03368	0.1
69.03347	0.8
72.18170	0.0
81.03336	2.8
85.02833	0.6
85.03268	0.0
87.34188	0.1
89.03812	0.1
91.05413	0.1
92.04947	0.1
93.87498	0.1
94.91810	0.1
97.02829	0.9
99.04371	0.3
106.06465	0.1
107.04874	0.1
109.02830	5.2
110.03104	0.1
116.04926	1.0
123.22653	0.1
127.03882	1.6
133.05222	0.1
134.05986	3.1
144.04428	1.7
145.04916	0.1
146.05988	0.3
148.03896	1.3
158.05939	0.1
160.03917	0.1
161.04752	0.3
162.05472	100.0
163.05817	3.1
174.05484	0.2
186.05519	0.5
188.03476	0.1
188.06969	0.1
190.04956	9.9
191.05232	0.3
198.05434	0.1
200.07001	0.1
203.59589	0.1
203.94711	0.1
204.06540	1.2
208.06021	5.5
209.06369	0.2
212.06969	0.1
224.06985	0.3
228.06572	0.1
232.05902	0.1
234.07542	0.3
240.30330	0.1
242.08171	0.1
246.98912	0.1
250.07109	0.3
252.06540	0.4
262.07040	0.7
270.07535	1.5
271.07895	0.1
280.08127	0.5
282.02728	0.1
298.07037	0.9
316.08051	2.4
317.08453	0.1
334.05148	0.1
334.09137	2.7
352.10220	1.8
353.10355	0.1
424.10110	0.3
442.10779	0.4
505.12137	0.1
513.14795	0.3
537.19501	0.1
541.14319	0.1
613.13031	0.1
631.15271	0.1
667.17786	0.3
703.19977	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	703.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85426	0.1
53.03885	0.5
57.03344	0.1
68.37649	0.1
69.03354	0.7
71.04916	0.1
78.67020	0.1
79.75063	0.1
81.03338	2.6
85.02834	0.6
88.88746	0.1
89.03822	0.1
90.48524	0.1
97.02821	1.0
99.04387	0.2
100.01899	0.1
106.06543	0.1
109.02834	4.4
116.04938	1.0
127.03879	1.7
134.05980	2.9
144.04431	1.8
145.04910	0.3
146.06007	0.1
147.04472	0.1
148.03885	1.0
151.03815	0.1
153.24298	0.1
160.03905	0.1
161.04695	0.1
162.05478	100.0
163.05830	2.8
169.44514	0.1
174.05463	0.1
175.96896	0.1
183.74872	0.1
186.05481	0.4
190.04962	9.6
191.05360	0.3
194.04469	0.1
196.07425	0.1
200.07076	0.1
204.06544	0.9
208.06021	6.0
209.06277	0.3
242.08098	0.1
250.06964	0.2
252.06581	0.4
262.07086	0.8
270.07562	1.4
280.08246	0.6
298.07065	0.8
316.08096	2.2
327.75354	0.1
334.09171	2.9
335.09653	0.1
352.10202	2.4
353.10458	0.1
424.10150	0.3
442.11234	0.4
505.12305	0.1
513.14935	0.3
541.14258	0.2
592.98285	0.1
631.14911	0.2
667.17419	0.4
703.19659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	0.2
55.05448	1.9
63.02320	0.2
69.03316	0.2
70.06490	1.4
72.08069	11.1
76.56404	0.2
86.09603	0.3
87.10452	0.3
89.03837	5.6
89.10709	1.6
91.05376	2.6
95.04913	0.4
98.05981	5.0
98.94041	0.2
103.05391	0.5
105.03313	0.3
107.04868	0.3
115.05415	0.4
115.08652	3.7
117.03329	22.0
117.06949	0.3
118.03664	0.4
119.04897	2.8
121.06405	0.3
122.03616	0.3
123.04367	0.3
127.03831	0.3
131.11591	0.2
133.02815	3.6
134.03575	1.4
134.05934	0.2
135.04390	3.4
137.05954	6.2
143.04881	0.5
145.02821	77.2
146.03175	1.5
146.06058	0.9
147.04387	2.7
149.04762	0.5
149.05948	8.9
150.06757	0.3
151.03889	0.6
151.07518	0.3
152.50127	0.2
158.03572	0.5
158.05838	0.3
161.05907	0.5
162.05444	4.9
163.03870	1.4
164.04643	0.3
165.05434	0.3
173.05920	1.6
174.03072	0.3
175.03915	3.7
176.07079	0.3
177.05431	100.0
178.05774	2.4
178.07701	0.4
186.03047	2.0
186.05447	1.2
187.03810	1.8
190.04883	0.4
194.07214	0.3
201.05417	5.7
201.07106	0.4
203.06906	0.3
205.04846	0.6
205.06458	3.6
206.07047	0.3
206.11739	0.3
207.06396	0.4
215.47046	0.3
219.08034	0.4
220.05103	0.4
221.05939	0.5
222.06709	1.3
227.06947	0.3
233.05948	4.9
234.06689	1.3
235.07513	1.5
237.05379	0.3
237.09004	2.7
239.06990	0.4
240.07228	0.3
246.11362	0.3
247.07527	0.6
248.04575	0.5
248.12793	0.6
249.05470	1.5
250.06194	2.7
251.07063	1.1
261.05383	1.0
262.06186	0.3
263.06979	2.2
264.07819	2.3
265.04913	4.1
265.08566	6.8
265.15399	6.9
266.09122	1.2
267.06436	1.0
275.06998	0.6
276.04202	0.4
277.04889	1.1
278.05630	2.1
279.06479	1.0
279.10120	0.6
280.07297	1.7
281.07944	0.3
282.08817	1.3
283.09616	0.5
291.06461	1.3
291.13336	9.7
291.16446	0.4
292.07291	7.9
293.04434	5.8
293.08032	6.6
295.06299	0.8
295.09454	0.5
297.11295	1.3
304.03677	0.5
307.09589	11.4
308.06714	36.0
309.07162	1.7
310.08408	1.0
319.05975	1.2
323.09073	6.7
325.10620	13.9
326.11017	0.4
336.06116	1.8
351.08548	19.6
352.09048	1.0
396.18137	0.5
413.20609	8.3
422.15683	2.3
439.18515	10.0
440.19159	0.3
527.28503	4.0
615.23132	4.8
686.31165	0.4
702.49426	0.3
703.33197	32.5
704.33447	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	703.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07930	0.5
53.75035	0.5
53.75643	0.4
55.05450	2.3
69.03352	1.3
70.06507	4.0
72.08070	76.3
73.08391	0.6
79.05413	1.0
79.71221	0.5
81.03348	3.5
85.02827	1.4
89.03851	10.8
91.05423	4.0
97.02844	0.6
98.05987	3.2
98.06571	0.7
99.05482	0.6
105.06994	0.8
106.02899	0.8
107.04955	0.7
109.02850	5.4
109.06459	1.2
110.26710	0.6
111.78866	0.7
117.03329	33.1
117.06963	0.7
119.04929	3.7
124.03927	1.4
127.03841	1.2
134.03642	1.5
134.05994	1.1
135.04408	3.2
135.55992	0.6
137.05956	18.5
144.04478	0.6
145.02823	92.0
146.03201	3.0
146.05992	11.4
147.03375	0.5
147.04404	6.4
149.05957	8.6
151.03925	2.4
162.05476	34.0
163.03867	1.0
163.05858	2.3
174.05482	0.7
175.03903	0.8
177.05437	100.0
178.05772	6.1
186.05479	0.9
190.05060	2.1
191.07079	4.1
200.07370	0.6
201.05342	38.3
202.05862	0.8
205.06511	1.5
207.06499	0.9
208.06033	0.9
219.08058	0.8
220.05133	5.2
222.06839	1.0
226.04993	1.1
229.05034	0.8
233.05931	1.1
234.06790	2.7
235.07483	17.9
237.09105	6.3
241.03629	1.3
244.06000	4.5
247.07439	0.8
248.04678	5.1
248.12825	9.5
249.05428	0.8
250.06311	3.1
256.05997	22.9
256.08542	1.1
257.06564	0.7
262.06357	1.0
263.06964	32.0
264.07574	3.1
265.05035	4.3
265.08606	11.1
265.15436	2.9
277.08597	1.3
280.07248	13.2
281.07861	0.8
282.02786	1.3
282.08871	2.8
291.06476	35.1
292.07077	2.5
293.07721	0.8
295.09641	2.3
296.10486	3.8
297.11444	4.0
298.10861	3.0
303.24832	0.6
308.06677	6.3
309.11176	1.0
313.10684	4.3
323.09079	97.8
324.09357	6.2
331.31274	0.7
351.08493	2.2
394.16580	3.7
411.18878	5.6
421.17657	1.1
422.15836	17.6
423.16049	1.1
437.16879	0.9
439.18552	69.5
440.18909	4.4
465.16336	0.8
477.37396	0.6
499.97577	0.6
527.28693	1.2
587.23621	7.7
615.23175	19.6
615.32080	1.0
616.23773	2.9
703.33282	35.3
704.33649	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	703.387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13359	0.3
56.96490	0.5
58.82615	0.3
62.56974	0.3
63.58844	0.3
73.72464	0.3
76.83959	0.3
84.95956	1.5
95.08534	0.7
96.13196	0.5
105.06955	0.4
124.67147	0.4
141.05939	0.4
171.12534	0.4
176.57210	0.4
185.04219	0.6
203.05269	1.9
208.70435	0.4
224.26251	0.4
249.65300	0.4
259.07825	1.3
347.09598	0.6
365.10413	5.1
379.21622	0.7
421.13138	1.5
425.91754	0.5
541.25073	0.9
541.33319	23.8
542.33594	2.5
703.38562	100.0
704.38831	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	0.9
59.24677	0.4
67.05420	2.1
69.34151	0.4
71.08562	0.6
81.06974	2.4
83.08536	0.6
91.05431	0.5
93.06941	0.5
95.08558	1.8
97.08849	0.5
149.62070	0.6
239.06389	0.5
269.44495	0.5
347.09583	0.6
432.08566	0.6
541.33331	30.0
542.33435	3.4
574.49591	0.7
575.50122	2.3
703.38556	100.0
704.38916	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	703.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74044	1.4
55.05452	3.3
57.07008	8.3
60.26773	1.6
67.05433	9.7
69.06994	3.6
71.08563	2.3
79.05399	6.4
81.06961	15.0
81.57690	1.6
83.08541	2.4
84.04380	1.7
85.10078	1.9
89.05949	11.6
91.05420	2.4
93.06970	10.5
95.04893	2.2
95.08549	4.1
99.65118	2.1
107.08541	3.0
109.10218	1.9
112.99982	1.7
118.41159	1.8
121.10052	1.7
133.08566	1.9
178.25710	1.8
250.19209	1.9
253.75847	1.6
335.21951	9.2
353.22812	2.8
391.24646	2.5
446.95676	1.8
452.51038	1.7
454.64468	1.8
503.30151	2.9
574.49255	2.5
575.50244	9.4
603.38550	12.0
703.47406	100.0
704.47729	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	704.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.6
54.26603	0.1
54.81622	0.1
58.10788	0.1
61.71669	0.1
63.02008	0.1
63.02289	0.2
69.03349	0.3
70.26572	0.1
71.04900	0.3
78.04617	0.1
81.03334	5.5
85.02824	1.0
89.03825	2.6
91.05402	0.1
92.10317	0.1
97.02822	4.3
99.04385	1.4
106.50163	0.1
109.02827	17.5
109.54908	0.1
110.03181	0.2
117.03326	12.1
117.74791	0.1
118.03706	0.1
124.05177	0.1
127.03871	8.9
128.04185	0.1
134.03590	0.8
135.04391	1.1
139.03902	0.7
145.02821	50.5
146.03159	1.4
146.06026	0.1
147.04367	0.1
149.05963	5.4
162.03079	0.2
162.05490	0.1
163.03804	0.5
169.04933	2.2
177.05432	100.0
178.05783	2.8
182.54836	0.1
186.05461	0.6
187.05916	0.1
229.07021	0.7
240.57184	0.1
285.07306	0.1
289.09137	0.5
303.08472	0.8
321.09674	0.1
334.35825	0.1
340.95905	0.1
345.09549	0.2
363.10239	0.1
381.11728	4.7
382.11899	0.4
523.52356	0.1
542.27258	0.1
551.76605	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	704.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14129	0.1
51.06203	0.1
53.03888	0.9
55.01805	0.5
55.27874	0.1
55.99746	0.1
57.03377	0.2
69.03334	1.8
70.06501	0.6
71.04890	0.9
72.08062	0.2
78.04609	0.1
79.05354	0.1
81.03329	5.9
83.27735	0.1
85.02828	1.0
86.09616	0.2
87.08009	0.1
89.03829	3.1
91.05401	0.6
97.02813	4.7
99.04380	5.7
103.03830	0.3
103.05412	0.1
106.02904	0.1
109.02821	15.0
109.97341	0.1
110.03117	0.2
117.03319	13.5
118.03669	0.1
119.04880	0.5
127.03867	16.4
127.88442	0.1
134.03566	0.8
135.04362	1.2
145.02814	55.2
145.04883	1.9
146.03171	1.6
146.05994	3.1
146.07094	0.2
147.04359	0.6
149.05945	5.6
162.05475	0.9
163.03799	0.6
169.04945	1.6
174.05505	0.3
175.03882	0.3
177.05423	100.0
178.05733	3.0
182.47797	0.1
186.05466	0.8
187.05956	1.4
192.06531	0.2
207.06396	0.5
229.06975	1.6
249.07468	0.5
254.36540	0.1
289.09064	0.3
303.08566	0.8
308.06448	0.2
321.09564	1.1
363.10416	0.3
381.11697	9.6
439.31467	0.2
457.22043	0.2
620.62976	0.2
630.76385	0.1
703.47229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.0
53.46574	0.2
55.05448	0.3
56.04973	0.4
57.03385	0.4
59.00457	0.1
60.04435	0.2
65.03848	0.2
69.03344	2.0
70.06512	2.4
71.04906	0.4
72.08068	2.1
74.05992	0.9
74.06624	0.2
81.03333	4.8
84.04420	1.2
84.08070	1.6
84.95895	0.2
85.02829	1.7
86.09602	0.5
90.05468	0.2
91.05399	1.1
97.02824	2.2
99.04387	0.3
101.07081	0.2
102.05502	0.2
107.04874	0.2
109.02828	8.1
110.07094	1.2
111.04359	0.2
115.61213	0.2
116.04918	0.4
117.03335	0.3
117.10737	0.2
118.06486	0.4
119.04898	2.3
124.03908	0.5
127.03883	3.6
128.04933	1.9
129.10202	1.0
130.06516	0.3
132.04428	2.2
134.06010	1.7
136.07556	0.3
144.04424	0.8
145.02809	0.8
145.04948	0.4
146.05983	100.0
146.16960	0.2
147.04404	8.5
147.06293	2.5
148.03915	0.3
162.05466	62.6
163.03864	0.2
163.05824	2.0
174.05464	11.7
175.05704	0.3
177.05438	1.2
182.21758	0.2
184.55966	0.2
188.07011	0.7
190.04945	7.3
192.06511	6.9
200.06973	0.2
203.11829	0.4
204.06505	0.4
204.10173	2.1
208.05989	4.5
222.13441	0.8
246.07526	0.4
250.07053	0.2
254.08047	1.7
270.07559	0.4
282.02811	0.7
282.07422	0.3
300.08582	2.4
316.08072	2.1
318.09665	3.6
334.09155	2.7
336.10638	2.2
352.10141	3.0
370.11145	1.2
393.17371	0.2
427.37027	0.2
497.15381	0.4
525.14679	0.4
542.24908	0.2
559.27246	0.4
686.53381	0.3
705.31500	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	705.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31443	0.5
54.81564	0.7
55.01820	0.7
55.05445	7.8
57.03371	1.1
57.07011	12.9
62.01542	0.6
67.05428	23.6
69.06990	8.3
71.08543	9.2
72.08884	0.7
79.05408	7.0
81.06972	19.5
83.04917	1.0
83.08534	6.2
85.10087	4.9
85.14178	0.7
91.05410	3.8
93.06969	6.6
94.90984	0.7
95.04927	0.9
95.08533	15.5
95.09078	0.9
96.08888	1.5
97.10101	1.3
105.06989	1.4
107.08550	1.6
109.10114	5.5
112.99252	0.7
112.99926	5.5
119.08528	1.5
121.10125	2.6
123.11712	3.3
133.10139	1.1
135.11633	0.9
169.02670	1.7
175.16197	0.8
204.56615	0.7
207.14412	0.7
253.37285	0.8
313.27304	1.1
317.37518	0.8
353.22794	9.3
364.28113	38.3
409.25693	3.9
575.50031	17.2
575.57776	1.0
576.50659	23.0
577.51691	7.8
604.39282	1.1
648.36646	0.9
704.47522	6.7
705.48944	100.0
706.49390	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	706.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	19.2
61.75874	1.2
66.85057	1.5
69.03364	1.5
70.06505	2.9
70.19263	1.3
71.20834	1.5
81.03348	3.2
83.08532	2.7
85.02831	1.9
87.43574	1.2
98.09571	1.5
100.11192	14.4
109.02834	2.2
119.04871	3.2
121.26248	1.4
127.03845	2.4
145.02745	5.4
146.05984	100.0
147.04369	2.1
147.06332	2.1
152.07181	1.5
162.05473	24.2
168.40703	1.4
174.05466	14.4
175.03983	4.6
177.05519	2.7
187.09883	1.8
192.06512	8.7
199.01550	2.3
207.06491	6.7
209.16383	5.4
210.14740	1.3
281.08969	1.7
303.68951	1.8
318.09607	8.1
336.10617	7.4
342.74503	1.7
349.20978	2.2
350.22696	4.9
350.72559	2.5
351.24002	3.1
351.74396	5.2
352.24393	2.7
358.21310	11.0
358.71304	1.6
359.23166	16.0
359.73370	8.4
360.23334	1.9
366.71841	3.0
367.21814	28.5
367.72159	9.4
390.14929	2.0
446.85898	1.3
489.25003	2.0
644.37659	1.7
671.22418	1.4
679.50604	2.1
705.50220	29.9
706.50134	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	706.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63313	1.7
53.37022	1.9
55.05450	16.2
56.04988	2.2
57.07001	15.7
65.70657	2.2
67.05434	27.1
69.06985	20.5
70.06506	24.7
77.17890	2.1
79.05399	11.7
79.47177	2.3
81.03316	2.2
81.06981	43.5
83.08533	9.9
84.08062	4.0
85.02819	3.6
85.10065	8.2
86.09613	3.0
91.05425	5.1
93.06967	17.9
95.08536	40.1
97.10098	4.7
105.06988	3.4
107.08528	17.0
109.10094	23.2
113.02313	12.3
119.08500	2.2
121.10123	3.5
123.11669	3.4
124.03864	2.3
133.10109	3.4
134.90265	2.3
135.11679	8.7
140.01126	2.4
142.72687	2.2
145.02837	5.6
146.05977	4.2
147.04337	2.9
147.11696	3.2
159.02847	15.6
170.15350	4.0
177.05444	4.8
182.56934	2.3
193.91557	2.7
194.18974	5.3
234.21913	3.2
238.21567	2.8
255.31488	2.6
286.23175	2.3
318.31479	4.4
324.86832	2.4
336.32513	33.0
375.21017	14.4
392.67001	2.6
512.36298	3.3
530.36230	4.4
555.19952	2.6
669.54803	2.6
688.38763	13.8
706.40002	100.0
707.39856	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	706.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06021	0.3
53.00251	1.6
53.03885	0.5
55.05188	0.7
55.05453	19.7
57.03364	2.1
57.07015	32.8
58.07327	0.5
59.04930	0.3
64.32963	0.4
67.05431	26.4
68.05766	0.8
69.06991	22.3
70.06514	0.5
70.07327	0.5
71.08550	21.3
79.05408	9.0
81.06976	30.0
82.07272	0.6
83.08537	17.6
83.09008	0.8
85.06490	1.3
85.10107	11.7
91.05412	1.8
93.06971	10.3
95.04884	0.5
95.08539	31.4
96.08852	0.8
97.06471	0.5
97.10106	8.9
99.11684	0.8
105.06968	0.5
107.08557	5.5
109.10114	14.4
111.11661	2.5
112.99976	13.3
116.07040	0.7
121.10098	7.5
123.11680	3.8
134.98172	0.8
135.11662	5.7
137.13239	0.5
149.13240	2.3
169.02588	11.1
222.08920	0.4
239.23656	1.7
247.24310	0.5
265.25204	1.7
294.22668	0.4
313.27374	2.2
339.28885	0.5
407.25513	0.8
410.24817	0.4
413.64764	0.5
576.50647	6.6
577.51782	100.0
578.52124	12.5
595.47046	1.8
643.61365	0.4
706.47479	3.1
707.46942	2.2
739.06946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	1.7
53.03875	0.6
55.05191	0.7
55.05453	19.7
57.03369	2.1
57.07014	33.5
61.13114	0.3
67.05430	26.2
68.05762	0.4
69.06989	23.7
70.06499	0.6
71.08547	18.9
78.10883	0.3
79.05407	7.3
81.06977	26.6
82.07317	0.4
83.08542	17.1
85.06472	0.7
85.09639	0.6
85.10114	9.8
91.05400	0.9
93.06976	9.3
95.08536	28.5
96.08901	0.4
97.06474	0.6
97.10098	8.2
102.25710	0.4
107.08533	4.9
109.10105	12.4
110.10466	0.4
111.11666	2.3
112.99963	11.9
116.07049	0.4
119.52834	0.4
121.10100	6.7
123.11657	3.2
134.98140	0.6
135.11676	5.5
137.13240	1.8
149.13260	1.7
163.14796	0.6
165.16389	0.5
169.02588	8.3
239.23648	0.7
265.25229	1.4
280.79782	0.4
313.27432	2.1
407.25586	0.9
477.47330	0.4
575.50500	0.5
576.50366	5.4
577.51788	100.0
578.52185	8.9
595.47247	1.7
705.46930	1.5
706.46991	4.9
707.46930	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	707.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87263	0.2
55.17823	0.2
62.20488	0.2
64.34064	0.3
72.32854	0.3
73.85046	0.3
86.17449	0.3
112.08872	0.3
123.61160	0.3
155.43961	0.2
161.02963	0.5
173.02907	0.5
185.02954	1.1
185.04184	18.8
186.04640	0.4
197.02946	0.5
203.05232	52.6
204.05592	1.2
245.05022	2.6
261.78815	0.3
263.06021	0.4
289.14273	0.3
353.77054	0.3
365.10449	100.0
366.10843	4.2
425.11197	0.6
579.29028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95339	0.3
57.84423	0.4
58.03119	0.3
68.38514	0.4
69.03350	1.7
70.06504	4.3
72.08060	2.5
73.94064	0.4
79.05434	0.6
81.03326	2.5
85.02813	0.7
89.03838	8.3
91.05397	0.6
95.04889	2.1
97.02834	1.8
98.05981	0.7
103.05384	0.6
105.03337	15.0
109.02818	1.8
115.08608	0.6
117.03327	30.5
119.04883	1.7
120.08035	0.7
123.04369	0.7
127.03883	0.7
130.03841	0.5
130.06509	2.0
134.03587	2.1
135.04373	2.4
142.23540	0.4
145.02821	87.2
146.03169	2.4
146.05971	0.8
147.04413	1.8
149.05960	10.5
157.76514	0.4
162.03116	0.6
162.05447	0.8
163.03822	0.7
170.05913	0.5
174.05367	0.4
175.03893	0.8
177.05428	100.0
178.05788	3.7
179.84755	0.4
186.05434	0.6
207.06403	0.9
228.27055	0.4
248.12796	2.2
249.07545	2.5
265.15414	11.8
267.08551	3.2
291.13263	2.3
308.06686	2.0
323.09061	1.6
336.06360	0.5
351.08676	3.4
425.12109	0.8
441.20050	12.6
459.39899	0.5
513.63055	0.5
531.23206	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	708.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53035	0.4
53.03870	0.7
53.12074	0.4
53.27148	0.4
69.03342	3.5
70.06499	2.2
72.08057	2.6
75.61720	0.4
76.68218	0.4
78.03369	2.6
81.03350	5.5
85.02817	3.2
86.09609	0.6
89.03839	9.9
91.05377	2.3
96.04398	1.1
97.02821	1.9
98.05990	0.9
106.02859	14.5
108.16471	0.4
109.02846	3.4
112.83706	0.5
117.03329	36.6
118.03711	0.5
119.04899	1.0
124.03912	32.0
127.03873	1.2
130.06398	0.6
134.03607	2.4
135.04370	2.8
145.02823	93.5
146.03143	2.9
146.05994	4.4
147.04379	2.1
147.06277	0.7
149.05962	14.8
151.07550	0.8
162.03072	2.9
162.05435	5.4
163.03857	1.1
175.03909	1.0
177.05432	100.0
178.05780	2.9
186.05476	0.8
207.06537	0.8
248.12700	2.9
250.07025	2.3
265.15378	8.6
268.08057	15.4
282.02646	0.7
291.13269	0.8
441.20068	5.6
444.12869	6.2
514.21777	0.7
532.22870	19.8
533.22827	0.9
708.16309	0.8
708.27618	15.0
709.28143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.0
54.81094	0.4
55.01804	1.2
55.05423	1.5
57.03371	5.0
57.48661	0.4
59.02433	0.4
61.02855	7.9
69.03007	0.8
69.03349	15.0
70.85043	0.4
71.04899	2.3
72.46768	0.5
73.02837	3.6
73.06467	9.5
81.02873	0.7
81.03332	6.7
85.02825	100.0
86.03171	0.9
86.09624	83.6
87.04392	2.7
87.05520	0.6
87.09966	2.0
91.03886	5.7
97.02821	23.9
99.04368	3.7
101.02345	0.5
109.02818	7.7
110.30215	0.5
111.40467	0.4
115.03940	0.7
115.30348	0.5
122.46288	0.5
126.74516	0.6
127.03873	27.7
132.10167	20.7
133.06049	2.0
141.06464	0.5
145.04936	35.7
146.05263	0.7
152.05679	0.9
154.34261	0.6
163.05974	16.2
173.96425	0.6
203.05232	3.3
204.05569	0.7
245.19107	0.5
253.12759	15.6
254.13046	0.7
257.86133	0.5
276.14481	0.8
278.25494	0.6
289.09198	2.2
300.10739	0.5
325.11160	12.5
365.10568	3.8
366.10672	3.0
367.11215	0.7
673.33954	0.6
736.73468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03526	0.8
57.07001	5.1
60.05584	0.9
67.05412	4.7
69.06992	2.2
70.06508	79.4
71.06841	1.4
71.08528	1.6
77.05376	1.0
79.05419	1.4
80.03914	0.9
81.06967	6.5
83.08533	1.4
88.23833	0.9
91.05387	0.9
93.06959	1.4
95.08514	5.4
96.08842	1.1
105.06981	1.3
105.29380	1.0
108.15563	1.1
112.99903	1.1
115.42235	0.9
116.07038	100.0
121.10073	0.9
134.98114	5.2
242.60976	1.3
254.42337	0.9
434.09360	1.0
575.49902	1.2
578.51825	5.4
579.52380	1.7
597.48651	10.3
709.47888	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	709.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	0.4
55.05458	2.9
56.04974	3.2
56.33678	0.3
60.04453	0.5
61.01071	0.6
62.54487	0.3
68.04959	0.5
69.06976	0.6
69.90155	0.4
70.06511	41.5
70.59999	0.3
71.06866	1.5
72.08073	8.1
74.06000	2.1
81.03343	0.6
83.01013	1.7
83.06010	0.7
84.04427	7.8
84.08082	4.9
86.09634	4.3
89.03845	1.9
91.05405	1.4
93.04474	0.5
95.06059	0.5
97.02828	2.8
98.05965	0.7
98.94910	0.4
101.07081	0.9
102.05472	3.3
103.05389	0.4
104.05274	1.8
109.02855	2.5
110.07117	5.6
110.95645	0.3
112.08699	1.4
113.07159	0.5
115.08663	0.5
116.07060	2.4
116.92487	0.4
117.03324	7.5
119.04900	0.6
125.01675	0.4
127.03895	1.6
127.08643	1.6
129.10216	2.5
136.07539	3.0
141.06563	0.6
143.27371	0.4
145.02823	24.1
146.03189	0.8
146.06102	2.1
147.04422	0.9
149.05937	3.3
149.34111	0.4
155.08183	1.4
162.05527	0.5
167.03134	9.3
169.13399	0.7
171.11266	0.5
177.05438	30.5
178.05843	2.3
181.09720	1.7
199.03636	11.5
206.09142	0.5
207.06613	0.6
209.04190	0.6
218.65520	0.4
259.05832	2.1
327.16751	0.5
329.08392	5.6
403.09918	10.1
404.29187	0.4
406.88214	0.4
421.11032	1.7
439.71469	0.4
709.19360	100.0
710.19763	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	709.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	5.8
56.04975	7.2
60.52480	1.0
64.33440	1.0
65.14538	0.9
67.05425	1.0
69.03336	1.1
69.06958	1.4
70.06513	71.5
71.06870	1.0
72.08080	20.9
74.05981	2.4
75.38009	1.0
81.03339	1.5
84.04427	14.9
84.08073	8.1
86.09622	7.8
91.05396	3.9
92.10297	1.4
102.05501	5.0
110.07127	10.6
115.08703	1.8
116.07095	4.5
117.03365	6.2
119.04933	4.7
121.02872	1.3
129.10228	4.3
136.07567	5.5
137.05981	2.0
145.02840	14.0
146.06049	5.4
147.04399	11.0
148.04713	1.7
149.22017	1.1
155.08205	1.7
162.05490	5.3
169.13335	1.6
175.03920	2.0
177.05408	15.9
199.03580	1.9
207.06383	1.5
329.08420	6.6
403.09921	34.7
421.11151	1.6
427.03940	1.3
447.25757	1.3
649.17554	1.2
652.99615	1.5
709.19336	100.0
710.19562	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	709.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.6
54.81578	0.1
55.05447	0.2
56.04966	0.1
57.03365	0.2
65.28948	0.1
69.03348	1.7
70.06503	0.2
71.04884	0.4
71.19939	0.1
72.08061	0.1
78.03365	0.6
79.05433	0.1
81.03333	2.8
83.04837	0.1
85.02819	1.5
86.09641	0.1
89.03828	0.1
90.03549	0.1
91.05409	0.2
92.04890	0.1
95.04865	0.2
96.04401	0.5
97.02824	2.2
99.04402	0.8
101.05959	0.1
106.02854	3.4
106.06420	0.1
107.04851	0.1
109.02824	4.6
114.09121	0.2
116.04924	0.7
117.03307	0.1
119.04893	0.4
121.02771	0.1
124.03909	8.0
127.03886	1.8
134.05980	2.1
144.04427	1.3
145.02820	0.9
145.04915	0.2
146.05986	1.1
147.04407	0.8
147.06351	0.1
148.03899	1.2
150.05486	2.2
156.89197	0.1
162.05466	100.0
163.05820	2.4
174.05496	0.2
175.03812	0.2
177.05452	1.0
178.04939	2.5
186.05438	0.1
190.04951	10.5
191.05331	0.2
196.06015	0.2
204.06621	0.1
207.06499	0.2
208.06012	8.7
209.06546	0.1
210.14946	0.1
250.07001	0.5
262.07037	0.6
268.08093	3.3
270.07541	0.5
280.08124	0.2
298.06866	0.5
316.08133	1.6
334.09125	3.8
335.09393	0.2
336.10834	0.1
352.10156	2.8
353.10849	0.1
358.06766	0.1
429.12784	0.6
457.12491	0.1
475.13028	0.5
583.15503	0.2
601.16382	2.4
619.17590	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	709.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.3
54.27824	0.1
55.05441	0.3
59.52599	0.1
66.06135	0.1
69.03346	1.3
70.06506	0.4
70.54075	0.2
71.04906	0.2
74.99795	0.2
76.96835	0.2
81.03340	2.5
85.01357	0.2
85.02818	1.2
91.05427	0.3
95.04881	0.4
97.02818	2.3
99.04382	1.0
106.02865	0.2
109.02838	3.9
110.05995	1.9
117.03297	0.2
118.06491	0.9
119.04921	0.2
127.03883	1.9
128.04924	1.6
132.04393	2.0
145.02803	0.6
145.04973	0.2
146.05988	100.0
147.04393	0.6
147.06334	2.3
149.04720	0.4
152.03050	0.2
162.05524	1.2
166.04904	1.2
174.05470	12.6
175.03818	0.2
177.05434	1.0
192.06528	10.1
194.04424	4.2
239.83588	0.2
246.07594	0.9
264.08536	0.2
300.08560	1.1
302.10040	0.2
318.09677	3.2
336.10681	2.6
359.23364	0.4
427.64645	0.2
570.58405	0.2
620.68994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02315	0.6
51.33508	0.2
52.48275	0.2
53.03882	1.6
54.81785	0.3
55.01783	0.3
57.03337	1.1
59.48932	0.2
69.03352	4.2
70.06496	1.5
71.04902	1.2
72.08051	0.3
73.02811	0.4
73.06463	0.3
78.03367	5.6
79.04155	0.3
80.04926	0.4
80.45047	0.3
81.03335	9.9
84.49780	0.2
85.02828	4.7
86.09609	0.4
91.05398	0.3
96.04411	3.5
97.02826	4.2
99.04371	1.7
101.05970	0.3
103.76942	0.3
106.02856	30.4
107.03197	0.5
109.02826	8.6
116.04900	0.5
117.03314	0.6
120.91978	0.3
124.03910	55.3
125.04263	1.2
127.03886	3.9
134.05966	4.8
144.04434	1.5
145.02823	1.3
146.05957	2.9
147.04379	2.1
148.03894	0.7
162.05466	100.0
163.05806	3.6
174.05499	0.5
175.03880	0.3
177.05431	2.1
178.05824	0.5
186.05498	1.1
186.71846	0.3
190.04971	8.6
196.05878	0.3
204.06500	1.4
207.06581	0.5
208.06017	3.1
225.24193	0.3
226.07156	0.3
250.07001	3.8
262.07059	0.3
268.08093	23.1
269.08426	0.5
347.13885	0.5
429.12885	6.1
430.13086	0.5
457.12051	2.0
468.32776	0.4
475.13580	4.0
517.14124	1.3
583.15326	2.0
589.99548	0.4
601.16449	17.5
602.16571	2.2
619.17554	19.7
620.17688	2.1
691.22992	0.4
709.24280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02328	0.2
53.03885	1.9
53.04067	0.1
55.05444	0.3
57.03376	0.8
59.25611	0.2
61.02856	0.2
67.97825	0.1
69.03346	4.5
70.06515	0.9
71.04915	0.8
72.08047	0.3
73.02836	0.7
73.06442	0.3
78.02933	0.1
78.03369	5.3
80.04935	0.8
81.03336	10.6
84.08050	0.2
85.02831	4.6
91.05424	0.3
96.04420	3.9
97.02833	4.4
99.04385	1.9
101.05970	0.3
106.02862	30.8
107.03182	0.4
109.02828	8.9
116.04935	0.8
117.03297	0.2
119.04900	0.9
124.03912	52.4
124.57004	0.2
125.04249	0.3
127.03870	3.8
130.06458	0.2
134.05984	4.6
134.06947	0.3
137.05974	0.2
137.74483	0.2
144.04398	1.2
145.02887	0.4
145.04950	0.2
146.05984	2.0
147.04404	1.5
148.03877	0.4
150.05464	0.2
151.03844	0.2
158.06036	0.3
160.03918	0.2
161.04695	0.2
162.05469	100.0
163.05829	3.3
166.04985	0.7
174.05431	0.3
175.03848	0.4
176.07158	0.2
177.05438	0.7
178.05891	0.2
181.08369	0.2
185.38239	0.2
186.05461	1.0
190.04958	8.8
191.05287	0.2
196.06015	0.4
199.19592	0.2
204.06537	1.7
207.06461	0.9
208.06024	3.5
209.06494	0.2
216.06558	0.2
234.07501	0.2
250.04619	0.3
250.07021	3.4
262.06952	0.3
268.08096	23.5
269.08438	0.8
270.07535	0.4
298.07242	0.2
316.07980	0.3
327.22479	0.2
334.09103	0.4
345.39246	0.2
352.10373	0.2
429.12827	6.0
457.12418	1.7
475.13263	3.3
513.84515	0.2
517.14398	1.6
583.15625	3.0
601.16528	17.4
602.17053	1.3
619.17542	16.0
620.17773	1.3
691.22833	0.4
709.23743	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	8.9
70.60842	1.9
73.82737	1.9
87.34200	2.4
98.97502	30.6
114.37509	2.6
116.98558	47.5
134.99620	65.0
137.05956	53.4
149.33060	2.2
153.00650	22.9
158.01213	3.6
189.06844	2.1
197.01257	3.3
226.11040	15.1
227.08521	2.1
235.02664	25.6
241.99715	2.2
244.12138	19.8
253.01492	3.4
253.03770	100.0
253.06483	3.3
258.31192	2.4
268.12262	2.2
271.04849	11.1
276.05472	3.4
344.15027	3.5
404.17340	83.2
405.17508	2.7
548.20685	2.4
597.47833	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	711.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72985	0.7
55.05451	17.8
57.07013	28.2
67.05426	24.9
69.06992	23.2
71.08546	18.4
79.05373	11.9
81.06979	25.4
83.08540	14.2
85.10106	10.6
89.05946	1.1
91.05413	1.8
93.06977	10.5
95.04901	1.3
95.08530	29.3
97.10107	8.3
107.08548	4.8
109.10110	12.2
111.11678	1.2
112.99998	1.6
121.10125	6.2
123.11698	1.1
133.10286	0.9
134.98161	70.9
135.11678	3.9
137.13234	1.4
138.77779	0.9
139.11264	1.1
148.43971	0.9
149.13287	1.4
149.93445	1.1
149.94537	1.0
181.73155	0.9
265.25323	1.1
455.25397	2.1
577.51776	25.1
578.51123	1.1
598.49200	2.1
599.49969	100.0
600.50446	7.1
613.48285	1.8
710.48621	1.1
711.49115	68.9
712.49347	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	711.493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00268	1.6
53.44900	1.2
53.46392	1.5
55.05259	1.3
55.05455	20.6
56.35753	1.3
57.07013	51.1
58.04151	2.1
66.00961	1.3
67.05428	30.2
69.06989	23.3
71.08551	29.1
73.02829	10.5
73.06465	6.1
79.05373	14.9
81.06967	28.2
82.80450	1.5
83.08546	19.4
85.10107	17.3
87.04393	14.0
89.05952	46.2
89.06456	2.0
91.05417	2.6
93.06995	9.8
95.08530	25.3
97.10108	6.8
104.07046	3.5
104.11407	1.5
107.07001	2.2
107.08533	2.7
109.10139	10.7
111.11685	1.7
121.10124	6.5
133.08609	13.6
134.98152	74.6
134.99112	3.2
135.11665	2.7
158.18956	2.0
177.11240	8.6
204.05113	1.6
455.25296	2.9
475.55838	1.6
577.51825	25.0
578.52264	2.3
598.48572	3.1
599.49939	100.0
600.50464	8.2
711.49353	77.2
712.49347	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	711.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13531	1.0
55.05447	21.9
55.30563	1.1
57.07017	21.3
58.72848	1.1
59.45605	1.1
67.05429	25.4
69.06988	20.7
70.06508	1.6
71.08547	13.3
72.33553	1.1
79.05386	12.4
81.06977	28.5
83.08546	13.2
85.10123	3.1
93.06956	9.7
95.08544	27.5
97.10110	6.2
105.06984	2.5
107.08552	5.2
109.10110	11.1
111.11674	1.6
112.99973	1.4
121.10115	5.4
123.11643	1.8
134.98161	62.1
135.11699	3.2
169.02606	1.6
176.00851	1.3
402.99445	1.6
577.51740	20.6
578.52411	1.4
598.48779	2.5
599.49969	100.0
600.50513	14.1
613.48151	2.1
711.49054	66.0
712.49744	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	712.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61987	0.3
53.03884	0.9
57.03373	0.5
57.51554	0.3
60.23305	0.4
61.13506	0.3
64.29797	0.4
69.03332	2.9
70.06524	3.2
71.04904	0.4
79.05396	0.6
81.03341	7.9
84.08054	0.6
85.02823	4.2
86.09606	0.7
89.03838	3.8
91.05404	2.6
97.02818	3.2
99.04387	0.9
106.02850	2.7
106.04104	0.6
107.04903	0.6
109.02833	3.9
116.07065	0.7
117.03333	17.2
119.04871	2.0
121.02806	3.0
121.06464	0.9
124.03908	4.3
127.03889	1.8
131.04834	0.5
133.02786	0.7
134.03606	0.8
134.05995	1.0
135.04381	2.4
145.02832	66.3
146.03204	2.0
146.05998	5.1
147.04417	5.0
147.06248	0.5
149.05960	9.2
162.05463	14.0
163.03859	2.7
163.05841	2.4
167.07011	1.8
175.03900	1.1
177.05440	100.0
178.05750	2.8
181.04918	1.0
183.75725	0.5
190.04977	0.9
193.04982	0.6
207.06544	0.9
208.05963	0.8
209.08028	0.9
212.00696	0.4
225.07346	0.7
237.02631	0.6
268.08063	0.9
282.02490	0.6
321.09464	4.0
339.10672	7.7
712.21808	0.7
717.20209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96492	6.7
60.80184	1.7
80.77574	1.5
87.79411	1.6
89.86567	1.8
94.62647	1.5
98.97517	30.5
108.10310	1.7
116.75824	1.5
116.98585	29.8
127.71507	1.6
128.98581	2.9
131.00145	7.3
134.99632	25.1
146.99651	3.8
147.03322	2.3
149.01222	22.4
153.00661	3.1
158.99625	17.5
161.01172	2.5
165.04312	8.4
167.02286	2.5
173.01193	7.4
177.00693	44.8
189.00731	2.3
189.04301	4.1
191.02208	12.0
195.01714	8.2
207.05426	7.0
219.01753	14.0
237.02814	32.6
242.37863	1.6
255.03749	3.3
291.07486	17.5
309.08514	100.0
333.08359	13.6
351.09525	36.3
374.21960	1.8
377.07565	30.8
377.37802	2.1
393.10468	3.7
470.91360	2.0
663.28503	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	716.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42221	0.9
55.05439	4.9
56.29562	1.1
57.03360	1.3
57.07006	1.3
60.05554	1.3
67.05426	3.7
69.03347	4.8
69.06988	1.7
70.73958	1.1
72.25611	1.0
79.05422	1.9
81.03334	1.3
81.06955	4.1
83.04894	2.5
91.05386	7.5
92.05813	1.1
93.06947	1.3
95.01569	2.6
95.04895	2.2
95.08525	1.7
105.07008	1.5
108.43102	1.0
111.04379	2.3
117.06999	2.1
119.08533	100.0
133.03072	1.0
133.06456	8.0
133.24020	1.0
155.01846	1.3
160.96458	1.0
163.28355	1.1
171.01367	17.4
185.03040	1.2
211.66899	1.2
237.09741	2.1
254.40762	1.0
303.18109	1.8
334.53650	1.1
587.49640	1.2
603.52643	1.2
604.53412	1.8
699.37482	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81738	0.6
55.05441	1.3
56.04974	8.3
57.03368	0.9
60.04458	4.3
62.14760	0.6
67.05429	0.7
69.03346	1.3
69.07007	0.8
70.02855	0.8
70.06510	28.8
70.06890	0.9
71.04893	0.8
71.06834	0.8
72.08076	8.5
74.05988	14.3
81.03337	1.7
83.06021	3.8
84.04420	14.1
84.08062	18.1
85.02810	3.2
86.09615	5.9
87.05501	0.8
90.05480	5.4
91.05405	1.7
93.04455	0.7
95.04898	0.8
97.02808	1.3
98.05973	1.2
100.81808	0.7
101.07089	6.0
102.05473	1.4
106.02837	1.3
107.04903	1.1
109.02826	1.4
110.07117	10.5
111.07438	1.0
111.09081	0.9
112.03924	3.8
112.08640	1.0
113.07056	1.4
115.08646	3.2
117.03342	1.0
119.04915	3.2
120.08088	3.0
124.03918	3.4
126.82595	0.8
127.03846	1.3
129.10182	8.1
136.07542	6.4
137.05931	0.8
141.06523	1.6
145.02794	6.6
146.05977	6.2
147.04420	5.5
147.07671	1.6
150.05476	1.4
151.03889	10.2
154.64354	0.7
159.07834	0.9
162.05447	9.7
163.03853	1.3
167.06956	0.8
167.86887	0.7
169.06084	3.5
174.05424	1.1
175.03984	1.2
175.59534	0.8
177.05380	5.1
181.04762	0.9
207.06483	1.5
208.05997	1.3
226.11954	1.2
264.01855	0.9
282.02814	1.3
329.12610	1.0
717.36926	9.2
717.48584	100.0
718.19458	1.0
718.48755	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	719.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20161	1.0
53.00234	1.8
53.03887	6.1
55.01814	5.8
55.05450	20.9
57.03377	16.0
57.07014	54.9
67.05431	42.9
67.85359	1.3
69.06612	1.2
69.06989	36.2
71.08186	1.9
71.08549	33.4
79.05410	21.4
81.03335	39.9
81.06972	43.1
83.04909	7.4
83.08547	13.4
85.06468	2.2
85.10105	19.0
91.05409	12.9
93.06974	21.4
95.04904	25.8
95.08538	27.8
96.08867	1.3
97.06470	2.0
97.10111	8.3
99.08067	1.7
105.06977	16.6
107.08543	14.6
109.06546	4.0
109.10095	17.3
112.99970	100.0
117.06956	1.5
119.08533	10.4
119.45956	1.2
120.59299	1.2
121.10090	7.1
123.11656	6.2
125.09575	5.9
129.07005	1.2
133.10100	11.5
135.11670	6.1
147.11671	8.0
149.13226	2.6
151.11171	27.3
153.09099	2.1
161.13242	6.1
165.12749	5.4
169.02574	62.0
171.11594	1.5
175.14601	1.4
184.55963	1.3
207.13705	1.6
231.20973	3.0
239.23636	1.5
241.19473	1.3
249.22099	3.1
257.24713	1.7
259.20636	2.1
277.21576	99.8
278.22052	2.7
295.22632	19.7
296.23154	1.4
313.27316	65.6
314.27728	5.8
400.86118	1.4
407.25391	10.6
666.41742	1.5
679.06628	1.8
719.35498	11.8
719.46533	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	721.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90725	0.1
53.03888	0.6
55.01808	0.1
57.03362	0.4
61.02840	0.3
63.07357	0.1
65.03881	0.1
69.03344	1.5
70.06513	0.1
71.04905	0.2
72.08045	0.1
72.90446	0.1
73.02814	0.2
81.02842	0.1
81.03332	3.9
83.78840	0.1
83.79420	0.1
84.08053	0.1
85.02823	2.4
85.59564	0.1
86.20856	0.1
89.03808	0.1
91.05397	0.2
97.02816	1.8
98.09638	0.1
99.04377	0.4
106.06413	0.1
109.02824	6.7
110.03082	0.1
116.04909	0.9
117.03339	0.2
119.04889	0.4
120.05705	0.1
127.03864	1.7
134.05980	2.2
144.04417	1.6
145.02852	0.6
145.04941	0.4
146.05997	1.4
147.04385	0.5
148.03873	1.1
148.07460	0.1
155.11732	0.2
158.05959	0.1
161.04701	0.3
162.05464	100.0
163.03850	0.1
163.05815	2.5
174.05449	0.5
177.05411	0.5
186.05446	0.9
190.04942	10.2
191.05263	0.2
196.04860	0.1
196.07533	0.1
204.06496	1.7
204.10168	0.1
208.06007	7.5
209.06458	0.1
219.10526	0.1
224.07158	0.1
234.07579	0.2
250.07063	0.2
252.06647	0.1
253.07133	0.1
262.07001	0.5
265.08484	0.2
270.07550	1.7
280.08130	0.4
298.07001	0.6
298.78018	0.1
309.07626	0.3
311.12592	0.1
316.04620	0.1
316.08093	2.5
334.09109	3.7
352.10202	2.5
355.25330	0.1
370.11160	0.5
478.13376	2.5
494.28333	0.5
495.28143	0.1
496.14478	0.1
514.15289	0.1
559.15582	0.7
721.27667	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	721.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06089	0.8
59.13412	0.7
63.23443	0.9
65.37892	0.9
67.05428	2.3
71.08517	0.9
81.06989	1.6
82.92017	0.9
87.69523	0.9
98.37797	1.0
119.08569	2.1
144.65050	1.0
149.84283	0.9
162.79466	0.9
171.01503	0.9
180.48491	1.0
186.73239	1.1
263.41049	1.0
308.02744	0.9
454.26788	1.0
577.51685	2.0
578.52087	1.8
587.28284	4.9
721.35474	100.0
722.35571	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	721.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	1.8
60.52262	1.5
70.06517	14.6
72.08050	6.7
84.08058	3.6
86.09608	3.0
87.96127	1.7
115.08681	1.5
129.10130	1.6
169.13338	2.1
178.15196	1.5
188.72148	1.7
335.21887	39.3
335.99765	2.0
409.17413	100.0
410.17538	8.4
624.96680	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	722.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.8
54.14207	0.3
57.03355	0.4
60.84866	0.4
69.03340	2.5
70.06507	2.0
72.08061	0.9
72.47569	0.3
75.97955	0.3
81.03342	5.2
82.32178	0.4
83.04910	0.4
84.04424	0.6
85.02814	1.9
87.13564	0.4
89.03825	0.5
91.05423	0.8
97.02822	4.1
98.12175	0.3
99.04377	1.5
108.61150	0.4
109.02837	10.3
117.03313	1.4
119.04899	1.9
121.02778	0.4
124.03905	0.8
127.03873	4.4
128.04893	1.8
132.04399	0.8
133.02818	0.8
134.05977	1.9
144.04427	0.8
145.02837	3.8
145.04968	0.5
146.05991	100.0
147.04404	3.1
147.06348	3.3
148.03842	0.4
159.54063	0.4
162.05473	99.8
163.05818	2.8
174.05482	13.8
175.03854	1.5
177.05434	4.7
178.05679	0.5
184.51451	0.4
190.04950	11.8
192.06526	7.4
204.06508	0.5
207.06432	0.8
208.05998	8.3
208.07726	0.6
208.85580	0.4
246.07501	0.5
254.08119	1.3
268.08087	0.4
270.07651	0.6
282.02841	0.6
300.08578	2.7
304.48447	0.4
316.07971	2.6
318.09720	4.4
334.09085	6.5
336.10663	5.0
352.10172	5.8
543.15924	0.7
600.21533	0.5
682.17157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06339	1.8
55.25686	2.1
56.98691	1.9
62.54775	1.9
64.21104	2.0
64.55499	1.9
70.06512	14.7
72.08075	9.6
81.03317	2.1
84.04430	3.2
84.08069	4.0
85.02832	3.7
86.09612	3.1
91.05405	12.2
91.46140	2.1
92.10258	8.2
93.06968	10.0
95.04891	2.6
96.45349	2.2
98.35016	2.2
100.46070	2.2
103.05389	2.9
109.78881	2.5
111.38026	2.3
111.91585	2.3
117.03337	3.4
119.04861	16.1
121.06460	57.0
124.03915	2.4
137.94525	2.9
145.02824	12.7
146.06010	21.2
147.04366	54.7
147.05469	2.9
155.88367	2.3
162.05482	13.6
175.03882	5.6
177.05429	16.7
177.42719	2.2
191.07047	9.6
201.05334	70.2
207.06450	2.8
218.11716	10.8
233.05949	3.3
235.07460	20.9
237.09026	8.7
248.04613	3.2
263.06931	37.9
264.07510	3.8
265.05014	3.6
265.08679	9.4
268.67838	2.3
280.07233	10.6
282.08817	15.8
291.06390	31.7
293.08084	13.5
297.11292	4.6
304.59494	2.1
323.09027	100.0
364.11844	4.0
411.19061	8.5
439.18604	3.1
458.15631	3.1
460.17261	2.9
488.17056	41.0
489.17590	3.3
557.22589	10.1
585.21960	16.5
594.67798	2.7
685.60034	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	722.3953
Annotation	fumonisin B6
Peak:m/z	Relative Intensity
51.59702	0.4
53.00236	1.1
53.03876	1.9
55.01805	0.7
55.05451	12.8
56.04971	6.0
57.03371	4.4
57.07010	11.0
58.06529	2.1
65.03865	0.9
67.05424	16.7
69.06987	18.0
70.06136	0.9
70.06508	20.7
71.04892	1.8
72.08062	2.7
74.05986	22.0
79.05402	15.7
81.03323	0.5
81.06971	33.0
82.06485	5.6
83.04896	1.1
83.08521	5.1
84.08076	3.5
85.02817	5.3
85.06448	2.0
85.10101	6.6
91.05407	10.6
93.06967	20.6
93.89317	0.4
94.06499	5.2
95.04876	2.2
95.08527	29.1
96.08054	4.9
97.06453	0.8
97.10106	2.4
98.09621	0.7
99.00749	0.9
100.07544	6.5
105.06969	14.0
107.08530	16.6
108.08082	1.9
109.06452	1.0
109.10100	11.8
110.09628	2.7
111.08040	0.8
111.11655	0.6
113.02308	11.0
117.06998	1.0
119.08533	8.0
120.08046	0.5
121.10080	7.3
122.09602	0.9
123.11668	4.8
124.03891	0.7
124.11186	2.2
126.09119	2.2
127.11155	1.0
131.08553	2.8
133.10081	7.8
135.11668	7.0
136.11182	0.9
137.13211	1.6
138.12775	1.9
140.10721	0.6
145.02859	2.0
145.10114	4.0
146.06004	2.0
147.04433	1.0
147.11674	5.6
149.13174	3.5
150.12732	1.0
151.14818	2.3
152.14285	0.5
159.02846	15.9
159.11685	2.6
161.13257	3.3
162.05450	0.6
163.14735	3.3
165.16383	0.7
168.13791	5.1
169.51048	0.4
173.13298	0.6
175.03897	0.7
175.14841	2.5
177.05476	3.5
177.16391	0.7
186.14835	5.8
191.17834	0.5
192.17535	0.7
201.16371	0.8
203.17955	0.6
208.20508	0.6
210.18520	1.7
233.16475	0.5
236.20137	2.1
245.22466	0.5
250.21713	0.5
254.21153	0.8
316.29895	7.9
318.61969	0.4
334.30936	32.7
335.31366	0.9
352.32013	15.5
353.32434	0.8
370.33026	3.2
388.34094	0.7
407.39502	0.5
510.34152	0.9
528.35376	2.0
546.36359	4.0
627.81976	0.6
686.37097	3.5
704.38440	19.5
705.38599	0.9
722.39380	100.0
723.39642	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	723.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09829	0.2
52.72674	0.2
53.50650	0.2
55.27432	0.2
55.60609	0.2
58.21960	0.3
62.94080	0.2
64.46500	0.2
67.70696	0.3
82.13779	0.3
88.49448	0.3
381.07849	100.0
382.08084	3.3
410.06482	0.3
413.58282	0.3
605.96362	0.3
642.97168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03862	0.6
54.81750	0.5
55.01782	0.6
55.75455	0.4
58.73298	0.5
63.46239	0.5
69.03349	1.2
70.06499	2.3
75.50312	0.5
81.03330	3.6
84.04401	0.7
85.02817	3.2
85.89159	0.6
89.03848	0.6
91.05402	26.8
95.04884	0.6
97.02831	1.1
103.05401	0.7
107.04883	0.7
109.02818	2.4
119.04894	54.3
120.78407	0.5
124.03909	1.2
127.03894	0.8
130.06503	27.2
131.06844	0.7
132.02063	0.8
133.41061	0.5
136.05173	1.1
144.08035	3.3
145.02815	2.8
146.05965	4.7
147.04390	52.7
157.03954	3.4
162.05481	12.6
163.05782	0.7
163.82620	0.5
164.04649	0.7
172.07507	0.9
175.03876	80.6
176.04225	2.8
176.07069	2.1
177.05374	2.7
179.06923	3.9
182.94194	0.6
190.05022	0.9
207.06497	100.0
208.06888	4.0
244.84926	0.7
264.01685	0.7
282.02762	3.2
338.12061	1.2
344.21487	0.6
369.11685	14.0
370.50333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85595	1.1
55.05451	1.1
61.22461	1.1
62.73910	1.0
70.06504	3.2
70.52754	1.1
72.08060	2.6
74.61198	1.2
81.03336	5.6
89.03851	8.4
91.05409	7.8
105.06950	1.1
106.02893	1.3
109.02831	5.2
117.03335	35.3
119.04893	16.0
121.02834	30.3
127.03880	3.0
130.06512	1.4
134.03662	1.4
135.04353	1.6
137.05896	1.4
139.03879	1.2
145.02835	85.0
146.03172	2.3
146.05960	16.0
147.04398	44.2
147.06287	1.8
149.05974	11.3
162.05470	8.9
175.03899	4.8
177.05438	100.0
178.05812	2.8
207.06500	2.8
248.12675	1.5
265.15454	13.0
273.07507	5.3
288.45291	1.4
291.13315	2.9
333.58078	1.6
404.21848	1.5
441.20178	16.6
485.14438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49411	0.4
51.82940	0.5
54.81749	0.5
61.74766	0.6
69.03345	5.0
71.04887	0.7
73.02850	0.7
76.73009	0.6
80.71995	0.6
81.03332	2.6
85.02830	11.4
91.03865	0.8
93.74429	0.6
96.47673	0.7
97.02820	4.7
99.04368	1.0
104.41895	0.6
109.02814	2.8
117.63409	0.6
127.03878	2.3
130.06488	45.6
134.06030	0.9
144.04405	0.7
146.06007	1.4
147.04243	0.6
162.05464	100.0
163.05788	3.9
176.06961	0.7
186.05435	0.9
187.18929	0.6
190.04956	19.3
204.06602	4.1
208.06020	25.0
209.06357	0.9
232.05815	1.0
338.12354	3.8
370.11243	24.3
371.11475	1.0
376.85312	0.6
400.34634	0.7
405.84790	0.6
475.71466	0.6
508.54791	0.7
549.21881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.4
55.05456	1.1
69.03350	2.8
70.06501	8.5
76.74808	1.3
81.03371	5.4
85.02837	1.5
89.03841	1.9
91.05401	7.8
96.86003	1.4
97.02907	1.6
102.88194	1.6
105.08089	1.6
109.02863	7.3
117.03318	12.9
119.04891	20.2
121.02789	2.9
127.03873	10.1
145.02827	21.8
146.03181	6.7
146.05986	11.2
147.04390	100.0
147.06227	2.6
148.04753	14.6
162.05481	12.2
167.73428	1.6
175.03851	3.1
177.05428	31.4
178.05756	6.2
207.06380	2.9
273.07477	11.1
274.07828	1.8
282.02600	1.9
362.44580	1.6
485.14331	5.6
486.14407	3.0
609.08893	1.7
725.04816	2.9
725.16760	73.2
726.16797	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	725.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19588	0.1
53.03877	0.6
57.03366	0.2
57.76549	0.1
60.02905	0.1
61.02835	0.1
67.05410	0.1
69.03345	1.4
70.06497	0.3
71.04900	0.2
72.08064	0.1
81.02898	0.2
81.03329	2.2
85.02814	1.0
89.03827	0.1
91.05404	0.2
95.03607	0.1
95.04879	0.6
97.02818	2.0
99.04382	0.7
106.06494	0.1
107.04896	0.1
109.02827	3.8
109.03526	0.2
110.05982	1.3
116.04921	0.9
119.04869	0.2
121.09016	0.1
122.05943	0.1
127.03883	1.7
134.02379	0.1
134.05966	2.5
138.05502	0.1
144.04434	1.4
145.02838	0.6
145.04976	0.2
146.05988	1.9
147.04381	0.7
147.06302	0.2
148.03871	1.1
149.04727	0.2
150.05453	0.1
160.91600	0.1
161.04814	0.1
162.05461	100.0
163.03819	0.2
163.05794	2.9
166.04988	1.0
174.05428	0.5
175.03825	0.2
177.05490	0.9
178.04910	0.1
190.04936	10.5
191.05219	0.2
192.06564	0.1
194.04445	3.3
204.06522	0.2
207.06564	0.2
208.06001	9.0
209.06322	0.1
250.07008	0.2
262.07025	0.5
270.07581	0.7
280.08115	0.2
298.07013	0.2
316.07974	1.4
334.09128	3.9
352.10156	2.8
670.02277	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	727.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	2.4
56.96500	16.2
71.95173	0.9
74.97545	1.1
83.08498	0.9
84.95982	0.6
97.96702	0.5
103.94689	0.5
108.66835	0.5
116.98574	2.1
122.54523	0.5
123.01186	0.8
128.98544	3.8
133.98833	0.9
134.99669	1.3
141.02255	0.8
145.02855	0.6
146.99657	5.8
147.04329	0.6
149.01234	0.8
155.03827	0.6
159.03391	0.7
161.01236	1.1
165.00708	2.9
169.05417	0.6
173.04836	0.6
175.02734	0.6
177.04292	0.6
179.02283	0.9
185.04836	1.2
186.02084	0.6
189.04369	2.7
189.08058	0.7
191.05923	0.7
193.03868	0.7
197.04843	0.9
198.05791	0.6
199.06377	3.7
201.04340	0.9
202.05119	0.6
203.05887	4.9
203.93054	0.6
204.03003	0.7
204.06712	0.8
207.09065	0.8
211.02733	7.0
211.06471	2.4
213.08086	2.8
214.05199	3.4
215.05910	2.4
215.09564	0.6
217.07413	9.8
219.09035	1.0
222.07658	0.6
225.04327	5.5
225.07999	3.6
229.03867	2.7
229.07404	16.6
230.08197	0.9
231.09013	7.9
232.06183	2.8
237.08046	2.5
239.05927	1.1
239.09709	2.5
242.08273	1.3
243.05429	2.7
243.08954	6.3
245.10689	1.1
247.08458	17.6
251.09543	5.1
252.09137	0.6
253.11053	3.9
255.08893	5.7
257.10660	3.2
259.12112	1.0
263.09421	0.8
265.11111	6.6
267.09015	0.6
268.09790	6.4
269.10541	14.3
269.13312	0.8
271.12146	3.4
273.10013	6.4
283.12115	48.4
284.12558	0.8
286.10785	5.9
287.11624	7.4
301.13144	26.0
306.13779	2.9
317.17920	3.3
333.17273	16.7
335.18814	13.2
335.22037	0.7
347.18613	0.8
351.18359	38.2
352.18753	0.8
353.19940	7.3
365.20096	4.4
369.19400	7.6
371.21106	1.3
374.20016	1.2
383.20972	74.6
384.21439	2.5
401.22031	100.0
402.22281	4.0
424.23624	9.5
659.41486	0.6
709.45288	0.8
727.46527	30.7
728.46497	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	4.0
55.05458	1.5
55.34242	1.4
57.03353	1.8
60.09642	1.6
61.02862	2.2
67.01802	2.2
68.99709	1.7
69.03348	17.6
70.06509	4.4
72.08091	2.3
81.03336	42.6
85.02831	24.7
91.05409	8.4
97.02818	22.1
99.04390	6.8
105.06882	2.3
107.04882	2.1
109.02826	100.0
117.03320	4.5
119.04906	11.7
121.02780	2.2
124.03887	8.0
127.03871	9.2
127.04751	1.9
131.04904	9.0
134.05890	2.1
135.04398	1.9
137.05966	3.4
145.02803	9.6
145.04976	3.0
146.03288	2.1
146.05991	10.3
147.04373	14.8
149.05980	2.5
151.03867	9.8
153.01778	18.9
154.02153	3.4
161.05948	8.9
162.05464	37.3
162.06627	3.2
163.05846	2.6
171.02873	24.6
175.03896	16.0
176.04646	2.5
177.05411	17.3
178.05769	3.1
189.05557	6.1
191.07011	3.4
201.05475	8.5
207.06499	21.4
208.06847	2.5
212.04738	3.2
217.04971	7.5
227.07036	2.5
229.04916	2.5
235.07509	4.1
237.09018	4.4
244.07245	2.1
245.04385	9.6
259.09570	63.1
263.06943	9.6
264.07681	2.3
265.04956	2.2
265.08548	13.0
280.06955	3.4
282.02808	4.2
297.11057	3.2
303.08539	9.3
304.08926	7.6
323.09076	39.1
340.09326	2.4
341.10089	8.0
379.10104	18.4
407.09567	2.6
431.10617	2.1
449.12216	2.1
513.13898	14.2
531.14740	8.7
727.18854	2.2
728.19391	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	729.6133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.3
55.01815	1.1
55.05450	17.5
56.05765	0.7
57.03371	1.1
57.07005	2.7
67.05426	39.4
68.05756	3.3
69.06611	0.8
69.06985	16.9
71.04906	1.0
71.08545	13.2
72.04429	23.5
79.05408	11.9
80.05731	1.1
81.06973	38.0
81.07453	1.2
82.07322	2.9
83.04871	0.7
83.08523	7.6
85.06477	0.8
86.09621	3.3
91.05405	7.1
93.06966	17.7
94.07301	0.9
95.04878	2.7
95.08528	26.4
96.08865	3.5
97.06480	3.7
97.10114	4.6
99.08031	7.7
100.07586	0.8
105.06948	5.8
107.08524	9.4
109.06458	5.4
109.10107	10.9
110.10411	0.8
111.08038	1.0
112.99964	7.4
114.09140	4.9
119.08553	5.2
121.10081	5.4
123.11662	1.4
128.10672	1.5
132.10225	0.7
133.10088	4.3
135.11639	3.4
142.12263	1.0
147.11682	1.2
149.13231	1.4
151.14816	0.9
153.12781	0.7
156.13803	2.7
163.14790	0.7
165.12674	7.2
169.02586	4.3
170.15411	0.7
175.14807	1.5
182.15428	1.0
193.15776	0.9
212.16310	0.8
217.00166	0.7
231.41656	0.7
238.21606	16.9
263.23444	0.8
291.23090	12.0
336.28891	100.0
337.29376	7.4
339.28723	0.7
360.99097	0.7
402.14719	0.9
580.13861	0.7
599.50006	3.4
600.50555	28.8
601.51672	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	730.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44590	0.6
55.05237	0.5
55.05452	6.9
57.03362	1.3
57.07008	1.1
65.03838	0.9
67.05132	0.7
67.05432	16.0
68.05754	1.2
68.70427	0.6
69.03335	3.5
69.06982	7.7
71.08533	1.1
71.56342	0.5
72.17069	0.6
74.27643	0.6
79.05402	6.4
79.40534	0.6
81.03352	0.8
81.06973	15.9
83.04903	4.6
83.08542	4.8
85.02835	2.9
88.00190	0.7
89.93055	0.6
91.05405	9.5
93.06988	6.9
95.01557	4.2
95.04886	2.8
95.08537	10.4
97.10108	1.4
105.06955	1.3
107.08527	5.4
109.10110	5.1
111.04404	4.6
111.12428	0.6
112.99965	3.8
117.06942	1.6
119.08540	100.0
120.08849	1.3
121.10093	1.5
123.11655	0.7
129.05438	1.2
133.06470	6.5
135.11671	1.2
155.01883	4.6
169.02541	0.9
171.01367	16.5
172.01321	0.7
197.03055	0.8
199.11157	0.7
237.09682	3.2
303.17978	2.4
411.19910	0.7
431.22449	1.1
497.19897	0.8
512.93536	0.7
563.28320	1.5
600.50525	4.5
601.51752	28.9
699.36871	2.8
763.66418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	5.4
56.04971	4.7
57.03375	1.0
57.07004	2.8
58.02908	0.5
60.04456	100.0
62.04636	0.4
65.74733	0.5
67.05426	10.4
68.04946	0.9
69.06992	6.7
70.06504	0.6
72.04420	1.3
74.05979	2.5
76.13255	0.5
78.21869	0.6
79.05405	4.9
81.06979	10.0
82.06487	1.2
82.86932	0.5
83.08547	4.3
91.05405	3.4
92.10318	1.0
93.06991	4.9
95.08536	9.1
97.06427	0.8
97.10130	0.8
98.05917	0.5
99.28818	0.5
105.06989	1.1
107.08532	2.2
109.10104	3.0
112.07562	0.7
119.08521	0.8
121.10094	2.2
123.11636	0.7
133.10135	0.9
134.65814	0.6
135.11627	0.7
152.67622	0.5
153.09012	0.6
165.89120	0.6
177.07130	0.5
250.25179	2.1
262.25250	2.5
280.26263	8.9
298.27298	7.8
311.73138	0.5
316.28406	73.1
317.28711	2.9
400.33130	0.6
450.32791	0.6
601.51459	2.5
636.55853	0.7
699.16492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	5.4
56.04971	4.7
57.03375	1.0
57.07004	2.8
58.02908	0.5
60.04456	100.0
62.04636	0.4
65.74733	0.5
67.05426	10.4
68.04946	0.9
69.06992	6.7
70.06504	0.6
72.04420	1.3
74.05979	2.5
76.13255	0.5
78.21869	0.6
79.05405	4.9
81.06979	10.0
82.06487	1.2
82.86932	0.5
83.08547	4.3
91.05405	3.4
92.10318	1.0
93.06991	4.9
95.08536	9.1
97.06427	0.8
97.10130	0.8
98.05917	0.5
99.28818	0.5
105.06989	1.1
107.08532	2.2
109.10104	3.0
112.07562	0.7
119.08521	0.8
121.10094	2.2
123.11636	0.7
133.10135	0.9
134.65814	0.6
135.11627	0.7
152.67622	0.5
153.09012	0.6
165.89120	0.6
177.07130	0.5
250.25179	2.1
262.25250	2.5
280.26263	8.9
298.27298	7.8
311.73138	0.5
316.28406	73.1
317.28711	2.9
400.33130	0.6
450.32791	0.6
601.51459	2.5
636.55853	0.7
699.16492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19483	1.2
53.00252	1.1
53.03868	1.8
53.17216	1.0
55.01810	2.9
55.05452	22.7
57.03365	5.1
57.07008	6.9
67.05430	46.9
69.06989	26.9
71.04897	2.0
71.08550	46.8
79.05409	35.1
81.03333	7.7
81.06979	58.1
83.04906	9.8
83.08532	14.8
85.06456	2.1
86.09647	1.5
86.24693	1.1
91.05408	25.3
93.06973	57.4
95.04906	9.9
95.08545	42.0
97.06458	6.4
97.10097	8.4
98.98393	8.2
99.08031	25.1
104.10680	2.8
105.06985	17.1
107.04887	5.9
107.08543	27.4
109.06446	2.4
109.10110	14.6
111.08019	2.0
113.09583	2.0
117.06966	2.2
119.08557	13.0
121.10105	27.8
123.11658	1.5
129.06995	1.9
131.08542	2.1
133.10127	9.8
135.11674	28.0
137.09650	2.2
139.11203	1.6
141.09117	1.9
143.08539	1.5
145.10135	2.5
147.11650	2.4
149.13239	11.4
151.11162	15.1
155.01038	6.0
159.11685	2.0
161.13261	10.9
163.11110	2.2
167.10675	1.4
171.11639	1.9
177.12727	2.1
179.14272	78.7
259.20538	1.5
277.21564	100.0
278.21887	3.0
295.22644	18.4
339.28802	13.5
346.72086	1.5
386.79398	1.5
586.35193	1.3
601.51593	6.4
602.51837	8.0
656.06024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	1.1
53.03889	7.7
55.01812	3.9
55.05189	0.8
55.05449	19.6
57.03381	4.8
57.07006	5.0
60.98041	0.5
65.03858	0.6
67.05428	38.1
68.05736	0.5
68.34035	0.5
69.03345	1.2
69.06990	33.8
70.07284	0.6
70.30730	0.4
71.04899	1.1
71.08533	2.8
72.10087	0.4
73.39118	0.5
76.56159	0.5
79.05408	22.5
81.03338	48.8
81.06974	38.3
81.07391	0.6
83.04900	10.8
83.08532	10.0
85.06458	1.2
85.10099	2.2
86.09589	0.7
91.05403	14.3
92.10201	1.0
93.06973	29.0
95.04898	24.0
95.07963	1.1
95.08532	20.5
96.08877	0.6
97.06446	3.1
97.10094	6.1
98.98409	8.1
99.08004	2.5
105.06972	14.3
107.04874	1.2
107.08540	19.3
107.09248	0.6
109.06471	5.9
109.10109	12.4
111.08031	2.4
112.99943	0.8
113.09580	0.9
117.06956	2.0
119.08526	9.5
121.10103	7.8
123.07990	2.2
123.11693	4.4
125.09573	5.8
129.06960	0.7
131.08513	3.0
133.10118	11.1
135.07980	2.4
135.11642	5.9
137.05943	0.6
137.09587	0.9
137.13222	0.7
143.08504	1.1
145.10126	0.7
147.08026	0.8
147.11655	8.1
149.09558	0.8
149.13223	3.5
151.11159	29.5
153.09035	1.2
153.12814	0.5
155.01027	6.2
157.10114	0.8
159.11584	0.8
161.09589	0.6
161.13217	8.0
163.11131	0.7
163.14780	2.9
165.12679	7.2
167.14406	0.6
171.10167	0.9
171.11603	3.0
173.11650	0.7
175.11157	0.9
175.14769	2.1
177.12772	1.0
177.16301	0.6
179.14276	3.6
184.07318	1.1
185.13184	0.8
189.12738	1.1
189.16287	0.6
207.13730	1.3
217.19420	1.1
231.21083	5.0
241.19449	2.9
249.22073	4.1
259.20541	4.3
265.25171	1.1
267.50394	0.5
277.21567	100.0
278.21835	4.2
295.22632	22.5
295.25986	0.9
295.49731	0.6
296.22791	0.7
297.59882	0.6
314.25113	0.5
339.28860	4.7
419.25717	0.9
446.88467	0.6
558.12585	0.6
601.51477	3.9
602.52167	3.7
703.53473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	1.0
61.32612	0.4
65.03851	0.7
65.61858	0.4
67.05412	2.6
69.06980	0.7
70.06492	2.5
72.08071	3.5
80.13039	0.4
81.06957	1.8
84.08069	7.6
91.05408	9.6
93.06963	0.6
95.08516	1.0
97.08809	0.7
110.09617	2.3
112.11194	5.6
119.04894	26.9
126.09111	12.1
127.09865	0.8
129.13832	4.4
136.37134	0.5
139.00612	0.5
145.02794	1.8
145.21217	0.5
147.04388	100.0
148.04752	2.0
151.12311	0.6
155.11752	0.6
177.05449	1.1
181.04984	0.4
181.18257	0.5
203.11812	2.5
204.10162	43.6
205.10500	0.6
218.11777	0.7
226.18105	0.7
229.13388	0.7
236.16527	0.5
254.17526	6.1
255.18221	4.9
257.16568	0.7
275.17508	11.8
292.20023	0.6
348.28897	1.6
366.29941	13.8
421.21375	0.6
438.23764	0.8
439.81198	0.5
510.27795	0.5
568.40460	1.1
586.42114	5.3
602.52838	0.6
603.53009	2.4
732.45679	43.0
733.45630	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	732.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01410	1.4
55.05453	40.0
57.03372	3.0
57.07006	14.2
67.05434	48.2
67.98853	1.9
69.06985	48.6
71.08554	3.7
72.15331	1.6
79.05412	17.6
81.06976	44.5
83.08537	24.6
84.57444	1.7
91.05412	7.5
92.10944	3.2
93.06977	22.5
95.08540	40.1
97.10098	9.9
107.08549	11.2
109.10115	16.7
111.00539	1.8
112.99963	16.4
121.10095	14.0
123.11649	3.7
129.43411	1.9
134.98157	3.9
135.11693	7.2
169.02612	10.6
268.73364	2.0
273.36664	1.8
284.29419	2.2
421.96716	1.8
463.21243	1.9
602.51691	2.6
603.53284	100.0
604.53577	13.7
621.48914	15.0
681.34680	2.1
733.48114	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	1.5
55.05189	1.3
55.05453	35.1
56.35587	1.0
57.03371	1.9
57.07018	10.4
61.33468	0.9
67.05080	1.7
67.05436	43.3
68.05754	1.6
69.06991	43.2
71.04898	1.2
71.08554	3.9
74.16676	1.0
79.05408	17.7
81.06979	40.4
82.07298	1.3
83.08543	23.8
89.05975	1.1
90.13793	0.8
91.05402	4.8
93.06969	21.9
95.04912	1.2
95.08529	35.8
97.06439	1.7
97.10094	12.1
99.52010	0.9
107.08553	12.6
107.19810	1.0
109.10100	12.4
111.08027	1.4
111.11665	4.1
112.99982	15.0
121.10096	15.0
123.07977	0.9
123.11675	2.1
134.98167	7.1
135.11668	10.5
149.13280	1.9
169.02579	8.1
265.25174	2.0
271.43930	1.0
339.28925	1.5
375.89255	1.2
602.52124	5.1
603.53320	100.0
604.53729	11.5
621.48584	14.6
713.49677	1.1
733.47919	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81826	0.6
56.65076	0.5
57.24554	0.4
63.02304	0.6
70.06481	1.1
72.08067	3.7
81.03326	2.0
89.03828	8.6
89.10694	0.8
90.33355	0.5
91.05390	1.3
93.06947	1.1
97.02840	2.0
103.05405	11.8
107.08495	0.9
109.02808	1.0
109.70578	0.5
111.00970	0.5
117.03324	35.4
118.03677	0.7
119.04876	1.2
120.34708	0.5
121.06448	0.6
126.35836	0.5
131.04893	37.2
132.05196	0.8
134.03557	1.2
135.04390	3.7
145.02817	98.0
146.03151	3.7
146.05978	1.3
147.04387	3.0
149.05946	15.7
150.06252	0.5
162.03075	0.6
162.05466	1.1
163.03940	0.5
173.18944	0.6
177.05426	100.0
178.05771	2.0
181.04945	0.7
186.05441	2.2
189.04187	0.6
248.12743	3.5
254.84041	0.6
265.15363	19.9
291.13431	4.0
293.10202	0.8
409.84668	0.5
441.20117	19.0
442.20789	0.7
513.10956	0.6
557.25208	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	735.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	22.0
57.07015	5.0
61.44864	1.0
67.05429	43.5
68.05784	1.7
69.06985	21.9
71.08553	1.4
79.05412	11.6
80.05749	1.1
81.06977	42.0
82.07295	1.4
83.08555	11.8
85.06513	1.4
89.58510	1.2
91.05411	2.9
93.06973	14.1
95.08534	24.5
97.10109	6.3
107.08556	7.2
109.10095	10.3
111.11677	1.3
119.08538	2.1
121.10069	8.3
123.11696	1.3
130.30818	1.1
133.10144	1.4
134.98146	57.8
135.11679	2.5
161.13284	1.5
241.60474	1.2
601.51672	16.0
605.54108	4.4
606.55676	1.5
622.48590	5.4
623.49908	100.0
624.50153	10.2
734.47412	5.4
735.49066	62.9
735.58954	1.7
736.49683	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	737.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	26.8
57.07027	8.9
60.30000	1.3
60.51926	1.2
67.05425	33.1
67.33491	1.5
69.06990	35.3
70.89520	1.3
71.08559	3.2
75.32928	1.3
79.05424	10.9
81.06976	25.2
83.08536	18.4
84.08088	1.6
91.05421	2.6
92.05752	1.4
92.10204	5.8
93.06995	13.6
95.08534	27.9
97.10120	7.6
107.08568	6.3
109.10132	7.9
111.11686	1.8
112.99995	1.9
116.07072	2.0
121.10107	8.5
123.83620	1.5
130.08636	3.0
134.98155	66.0
135.11681	6.5
137.68513	1.6
142.56415	1.4
149.13272	2.2
231.17357	1.5
236.14642	1.5
245.36264	1.5
371.02567	1.7
380.34653	1.9
385.04230	1.7
455.25131	3.5
578.28741	1.7
603.53522	20.4
604.51978	1.9
613.68750	1.8
624.49847	3.2
625.51483	100.0
626.52032	11.8
736.49200	2.4
737.50623	72.1
738.50610	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	737.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88353	0.8
53.00244	2.2
53.03888	1.3
54.31508	0.7
55.05452	28.2
56.05793	0.9
57.03360	1.1
57.07011	7.6
58.01200	0.8
64.32733	0.8
65.03829	0.8
67.05429	31.3
67.39582	0.9
68.36373	0.8
69.06985	31.0
71.08551	2.0
79.05413	12.7
81.06973	28.5
82.07290	1.9
83.08549	17.0
85.06484	1.0
85.10092	1.3
91.05415	4.7
93.06982	13.7
95.08536	26.9
97.10076	8.0
107.08546	6.8
109.10109	8.1
111.11679	1.7
121.10109	8.4
123.11693	1.4
130.86034	0.9
133.35118	0.8
134.98157	63.1
135.11687	4.4
146.28371	0.8
149.13243	1.1
152.15701	0.8
152.99237	1.3
176.00891	1.2
178.41801	0.8
221.07852	0.9
223.60060	0.9
226.22395	0.8
277.70413	1.1
292.45209	0.9
337.56378	0.9
455.25616	4.0
458.41928	1.0
602.52332	1.2
603.53223	18.8
604.53876	1.5
624.50970	7.2
625.51428	100.0
626.51868	11.7
736.49530	1.9
737.50647	68.7
738.50470	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	737.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00260	1.1
55.05452	24.1
57.03359	0.7
57.07017	8.6
62.53223	0.6
67.05430	24.8
69.06989	26.6
71.04945	0.7
71.08561	4.2
71.65552	0.8
75.78860	0.6
79.05412	12.7
81.06976	28.4
83.08540	16.2
91.05416	2.9
92.10175	0.9
93.06975	14.3
95.04944	1.0
95.08535	20.8
96.08891	0.7
97.06465	0.8
97.10094	7.3
107.08550	7.8
109.10117	9.1
113.00024	1.1
121.10101	9.2
123.11663	3.1
134.97122	1.9
134.98157	59.9
135.11626	5.6
143.22319	0.7
147.37598	0.9
149.13266	1.7
151.83975	0.8
155.79883	0.7
176.01047	0.7
177.68121	0.8
223.88408	0.7
231.94412	0.9
386.51367	0.8
450.90741	0.7
455.25497	4.8
603.53302	20.2
604.53210	1.6
624.50323	5.9
625.51501	100.0
626.52063	9.5
639.49756	1.2
736.49646	3.6
737.50665	67.0
738.51178	8.5
758.42456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69414	1.5
51.76865	1.6
54.01048	1.4
54.81537	1.9
55.05451	26.7
55.27015	1.6
57.07007	8.7
57.43700	1.6
60.08098	1.6
67.05421	29.2
69.06991	27.9
71.08569	6.6
79.05403	9.9
81.06969	32.3
83.08533	18.0
85.70954	2.0
91.05412	2.7
93.06988	14.3
95.08537	31.4
97.10088	8.8
107.08536	7.3
109.10116	8.8
121.10104	10.4
134.98146	56.7
135.11668	4.3
163.92203	1.9
213.27179	2.3
219.33109	2.2
226.82552	1.8
236.14899	3.2
251.77740	2.0
271.12216	1.9
455.25247	4.0
603.53369	18.9
604.53784	2.2
624.50018	2.4
625.51483	100.0
626.51563	10.1
736.48572	2.4
737.38568	2.6
737.50635	70.4
737.61420	2.5
738.50616	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	738.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	1.0
58.97140	0.6
61.85081	0.5
65.03888	0.9
69.03352	3.3
70.06515	3.4
72.08083	0.8
74.05997	0.6
81.03348	8.3
84.04435	0.6
84.08067	1.1
84.63580	0.6
85.02841	3.6
91.05411	13.8
97.02823	2.8
102.35410	0.6
105.07005	1.1
106.02855	1.3
107.04918	1.4
109.02849	6.1
117.03316	0.8
119.04899	28.9
119.05753	1.3
124.03931	5.0
127.03894	3.7
134.05972	2.6
144.04462	1.1
145.02852	2.9
146.06010	8.4
147.04390	25.9
147.05508	1.2
149.05946	0.7
151.03922	0.8
154.04999	5.0
157.03961	2.8
161.06000	1.3
162.05472	100.0
163.05829	3.7
174.05464	0.7
175.03877	36.9
176.04268	0.9
177.05440	3.4
179.07059	2.7
190.04996	10.1
205.31526	0.6
207.06506	47.0
208.05942	8.1
237.02885	0.8
268.08081	1.0
270.07562	1.0
316.07986	2.9
334.09137	2.5
351.10596	0.8
352.10205	1.4
369.11850	1.0
373.45593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64481	0.1
55.01814	0.3
55.05446	1.5
55.53180	0.1
56.04975	0.2
56.50381	0.1
56.87141	0.1
56.96491	0.1
57.03377	0.7
57.07002	0.2
59.62175	0.2
61.02859	0.8
67.05431	1.5
69.03345	1.0
69.06976	1.9
70.06512	1.0
71.04906	0.6
72.08066	0.4
73.02827	3.3
79.05405	4.2
81.03326	0.2
81.06970	2.1
83.04904	1.5
84.04449	0.3
84.08069	0.3
84.68163	0.1
85.02840	0.9
85.06468	0.3
87.04392	0.2
91.05404	17.4
92.05736	0.2
93.06965	3.3
95.04893	1.5
95.08468	0.2
97.02798	1.2
97.06438	0.3
105.06974	15.6
107.04897	0.8
107.08520	1.4
108.36909	0.2
109.02859	0.3
109.06450	1.5
110.07150	0.3
115.03920	0.7
117.06920	0.2
119.04885	0.4
119.08534	3.6
121.02798	0.3
125.05956	4.5
129.06985	0.6
131.08530	9.6
132.06595	0.2
133.10094	100.0
134.10410	2.3
135.07979	0.3
135.11661	1.1
136.07455	0.2
137.05972	1.9
139.07573	0.2
143.08524	0.3
145.02846	0.4
145.10077	0.7
146.06020	0.6
147.04388	1.1
147.08029	0.4
147.11664	7.9
149.05940	0.2
151.07504	1.2
151.11154	3.9
152.11545	0.2
155.06999	0.8
157.10065	1.3
162.05467	8.5
162.06787	0.3
163.05812	0.3
165.09048	1.2
165.12704	0.3
175.11150	7.5
176.11575	0.2
177.05336	0.6
190.04948	0.8
193.12204	39.1
194.12514	1.0
194.22076	0.2
195.13766	0.3
205.12158	0.3
208.06041	0.9
211.11311	0.3
211.13211	3.3
227.76465	0.2
235.13377	0.2
267.08868	0.2
285.10074	0.3
289.14301	0.2
307.15353	0.8
325.16333	2.1
343.17484	1.8
352.10147	0.2
378.21207	0.8
383.16681	0.8
591.72052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.2
54.81560	0.2
55.01798	0.2
57.03358	0.8
61.02847	1.2
65.82964	0.2
68.04085	0.1
69.03348	3.8
71.04894	0.3
73.02847	0.2
81.03334	1.8
85.02824	10.8
87.04356	0.3
91.03889	0.4
94.49234	0.2
97.02812	3.6
99.04369	0.7
109.02825	1.2
116.04939	0.3
127.03867	2.2
130.06461	0.2
134.05959	1.3
144.04382	0.8
145.04916	1.2
146.05995	0.3
146.67926	0.2
148.03925	0.3
161.04721	0.2
162.05461	100.0
163.05818	2.4
186.05466	1.3
190.04951	13.5
191.05348	0.2
204.06520	3.7
208.06009	22.9
209.06351	0.3
220.80777	0.2
228.06400	0.3
232.06055	0.3
250.06949	0.3
352.10080	0.3
370.11227	11.2
371.11716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.6056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11959	0.6
54.81865	1.1
55.05442	2.1
57.07000	1.0
58.08654	0.7
63.45912	0.8
67.05428	5.1
69.06985	3.5
69.25853	0.7
74.51479	0.7
79.05403	2.0
81.06964	1.8
83.08532	1.7
95.08507	3.2
121.10049	0.9
126.48720	1.0
133.45653	0.8
134.98187	5.9
304.26184	1.0
381.29691	100.0
382.29996	5.1
598.49335	0.9
605.53613	0.9
625.50067	1.1
626.51978	3.2
627.52802	5.9
739.51068	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95887	0.1
53.03886	0.3
61.02880	0.2
66.31679	0.2
69.03344	2.0
70.06506	0.4
71.04906	0.2
72.08047	0.2
81.03334	2.8
84.04433	0.2
84.08086	0.3
85.02836	1.7
91.05430	0.8
92.10867	0.3
97.02834	2.5
99.04386	0.9
109.02826	4.8
118.06470	0.2
119.04896	0.8
124.03912	0.9
127.03878	2.5
128.04901	1.3
132.04416	1.9
137.04749	0.3
145.02817	0.9
145.04955	0.3
146.05992	100.0
147.04417	1.5
147.06305	2.7
147.64050	0.2
150.05557	0.2
162.05438	3.0
163.02617	0.3
163.03859	0.2
163.05812	0.3
165.04236	0.3
174.05479	12.1
175.03978	0.6
175.05835	0.4
177.05440	1.0
178.04912	0.4
180.06526	1.6
190.04848	0.2
192.06529	11.6
193.03673	0.8
207.06546	1.1
208.06018	4.3
218.08160	0.3
226.07123	0.8
246.07578	0.3
247.59802	0.2
254.08057	0.3
264.08578	0.4
282.02704	0.3
300.08670	2.1
318.09677	6.3
336.10699	8.1
337.10822	0.3
381.53137	0.3
429.25708	0.2
538.89282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.6
56.04975	0.2
57.03368	1.1
61.02861	0.1
69.03348	5.5
70.06497	0.4
71.04915	0.7
73.02839	0.3
78.03369	5.7
79.03724	0.2
80.04924	1.3
81.03336	9.6
83.01247	0.2
84.04443	0.1
85.02829	4.1
87.07935	0.1
89.03829	0.2
91.05385	0.2
96.04407	3.8
97.02831	3.6
99.04390	1.5
106.02858	29.8
106.06475	0.2
107.03180	0.3
109.02834	8.5
110.07128	0.4
116.04950	1.1
119.04889	0.2
121.02813	0.2
124.03911	57.4
125.04260	1.0
127.03876	3.6
131.42790	0.2
132.97485	0.2
134.05975	4.8
144.04471	1.2
145.02827	0.2
145.04970	0.2
146.06039	1.1
147.04393	0.4
148.03906	1.0
150.05536	0.2
158.06020	0.6
162.05467	100.0
163.05824	2.4
166.04987	0.8
174.05537	0.3
177.05515	0.2
181.56227	0.2
186.05423	1.3
190.04944	9.5
191.05267	0.4
196.06013	0.2
200.06950	0.2
204.06615	1.8
204.25829	0.2
208.06009	2.9
232.05942	0.3
234.07710	0.2
250.07027	3.2
262.07104	0.7
268.08096	22.5
269.08380	0.6
270.07507	0.7
316.07672	0.2
334.09100	0.3
429.12933	4.9
457.12192	2.0
475.13446	3.0
517.14386	1.1
583.15442	2.0
601.16486	18.5
602.16479	1.0
619.17554	16.6
620.17145	0.8
741.23328	2.7
742.23596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	0.1
53.03887	1.5
53.04616	0.1
54.81596	0.2
55.01829	0.2
56.04963	0.2
57.03373	0.6
61.02853	0.2
63.01037	0.2
66.83777	0.1
69.03347	4.4
70.06493	0.3
71.04904	0.9
72.08060	0.2
73.02829	0.4
74.74095	0.1
76.55933	0.1
78.03363	5.3
80.04923	1.1
81.03332	10.1
84.04444	0.3
84.08064	0.2
85.02824	4.0
87.04406	0.2
91.05401	1.0
95.25374	0.1
96.04401	2.9
97.02821	4.9
98.97508	0.2
99.04389	2.1
100.64143	0.1
106.02856	31.4
107.03210	0.3
109.02068	0.3
109.02821	8.6
110.07046	0.2
116.04922	0.7
117.03320	0.4
119.04858	1.4
120.05652	1.0
121.02802	0.4
123.29492	0.2
124.03904	57.8
125.04211	1.1
127.03871	3.4
129.10139	0.2
130.06418	0.2
134.05962	4.8
144.04472	1.4
145.02841	0.7
145.04875	0.2
146.03520	0.2
146.05951	0.2
147.04393	1.3
148.03900	0.9
155.11757	0.4
158.05969	0.4
161.04742	0.2
162.05461	100.0
163.03848	0.2
163.04449	0.2
163.05795	3.2
166.04956	0.7
174.05415	0.2
176.06990	0.2
177.05472	0.8
181.05017	0.2
186.05443	1.2
190.04945	8.6
196.05989	0.3
200.61803	0.2
204.06476	1.5
208.06041	2.9
209.05948	0.2
226.06958	0.4
232.06007	0.4
237.02638	0.2
250.07057	3.6
251.07077	0.2
262.06946	0.3
265.08533	1.9
268.08078	23.3
269.08566	1.2
270.07468	0.9
334.09259	0.4
390.13577	0.2
429.12860	5.7
430.13000	0.6
457.12137	1.9
475.13342	3.8
476.13721	0.2
517.14008	0.9
583.15283	2.5
601.16498	19.7
602.16949	1.7
619.17517	17.3
620.17584	2.0
681.11096	0.2
697.33167	0.3
723.22229	0.2
741.22955	2.1
741.33655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	19.7
56.99336	0.6
58.73999	0.9
63.24890	0.7
67.05438	0.9
69.03341	3.0
70.06512	6.6
72.08067	2.0
75.79840	0.7
78.26383	0.8
79.05423	0.9
81.03334	1.9
81.06956	1.5
82.06484	1.8
83.04903	4.7
83.08545	15.0
84.04449	2.0
84.08076	1.8
85.02827	1.7
91.05397	3.8
97.02817	1.6
98.09628	1.9
100.07542	7.1
100.11185	98.6
105.06989	1.0
105.46800	0.8
106.02852	2.0
107.04885	1.2
109.02815	2.0
109.42517	0.9
110.05978	1.6
110.07137	1.3
111.04370	11.7
112.07568	3.8
117.13821	0.9
119.04920	1.9
119.08574	0.9
119.14544	0.8
121.02868	0.8
124.03903	5.5
126.12739	1.1
127.03903	1.4
127.08597	1.2
128.07033	7.8
129.05371	1.1
139.08644	1.9
140.07050	3.4
144.13776	1.3
145.02856	4.6
146.05975	5.2
147.04422	7.1
148.04672	0.9
149.06023	1.1
154.08612	0.8
155.06967	6.9
162.05464	23.7
163.05807	1.5
166.15935	1.3
167.07069	0.9
175.03859	1.2
175.11139	1.0
177.05501	4.6
182.15369	35.7
190.04855	2.9
192.13707	1.0
207.06546	5.3
209.16446	23.8
210.14856	36.2
226.19205	3.5
227.17549	3.5
228.15964	3.3
254.17496	2.0
264.01614	0.9
326.28040	3.1
336.22797	1.8
343.30719	3.4
453.34232	1.9
469.03378	0.9
475.13339	3.4
516.33051	1.1
741.54688	100.0
742.55029	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	743.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92724	0.3
56.96520	0.2
60.01020	0.2
61.02896	0.2
69.03337	0.6
70.06498	1.1
72.08073	0.5
73.02828	0.5
81.03346	0.6
81.73856	0.2
84.04427	0.6
84.08078	0.6
84.95898	0.3
85.02823	1.1
87.17487	0.2
91.05379	0.3
96.04426	0.2
97.02819	2.2
98.97559	0.3
105.07004	0.3
106.02847	0.6
107.04920	0.5
109.02817	0.4
110.07156	0.3
115.08656	0.3
119.01858	1.1
119.04910	0.4
121.02805	1.1
124.03899	2.0
127.03880	0.3
133.10118	1.4
145.02820	0.5
146.06052	1.2
147.04385	2.3
151.03885	0.4
162.05510	1.6
163.03836	0.4
177.05450	0.5
233.11407	1.1
247.70082	0.3
251.12436	1.2
268.08066	0.6
269.12332	1.4
293.12372	0.4
295.51520	0.3
311.13269	0.3
365.15588	6.8
371.61685	0.3
383.16684	100.0
384.16922	4.9
386.31985	0.3
396.13611	0.3
455.55554	0.3
525.30695	0.3
564.17413	0.3
564.85852	0.3
582.17761	0.4
725.32928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.3
55.01809	0.6
55.05455	2.1
57.03374	2.4
57.07002	0.2
61.02858	1.8
67.05420	1.3
69.03349	9.8
69.03912	0.3
69.06963	0.3
71.04915	0.6
79.05413	1.8
81.03325	1.5
81.06980	1.1
83.04907	3.7
84.04424	0.5
85.02819	3.2
87.04401	1.3
91.03873	0.4
91.05396	6.5
92.10980	0.4
93.06980	0.5
95.04907	0.4
95.08530	0.5
96.72927	0.2
97.22201	0.2
98.62116	0.2
99.04391	1.1
103.03825	0.3
105.06976	2.4
107.08536	30.3
108.08879	0.5
109.06479	1.1
109.10188	0.3
111.04374	2.5
116.06165	0.3
117.06968	1.3
119.08534	100.0
120.08875	2.1
121.10076	0.4
129.05424	2.7
133.06461	1.7
135.08020	26.6
136.08400	0.4
139.11176	0.4
141.23810	0.3
145.10136	0.4
147.06485	0.9
152.48676	0.3
162.44696	0.3
165.34212	0.3
195.13876	0.5
258.12195	0.3
277.21481	0.6
281.13754	3.1
295.22632	0.5
415.21088	10.9
416.21326	0.3
447.90826	0.3
460.05182	0.3
512.12317	0.3
531.20239	0.3
593.00348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.4
55.01812	1.0
55.05448	2.3
57.03370	2.7
61.02840	0.7
65.03851	0.3
66.22924	0.2
67.05418	1.5
69.03348	9.5
70.06525	0.2
72.08015	0.3
73.02839	0.3
73.08999	0.3
74.52169	0.3
76.56572	0.3
79.05410	2.0
81.03329	1.8
81.06978	1.0
83.04895	3.9
83.08530	0.3
85.02834	3.2
87.04396	0.6
91.03883	0.3
91.05405	6.9
92.10302	0.3
93.06952	1.4
95.08517	1.1
99.04384	1.3
103.05412	0.4
103.69228	0.3
104.06199	0.4
105.06974	3.1
107.08535	28.7
108.08858	0.5
109.06462	1.4
109.10104	0.4
111.04397	2.3
111.05061	0.3
117.06952	1.4
119.08534	100.0
120.08878	1.8
129.05409	2.5
133.06453	1.9
135.08020	27.1
147.06508	1.5
195.13875	0.4
219.68861	0.3
229.48820	0.3
243.34834	0.3
277.21701	0.4
281.13766	5.0
295.11774	0.4
295.22672	0.4
337.27240	0.4
415.21045	14.8
416.21252	0.4
765.32397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	1.5
53.03889	8.6
53.04099	0.8
54.81313	0.7
55.01812	5.1
55.05193	1.5
55.05456	44.2
57.03376	20.1
57.06770	1.2
57.07014	19.8
60.15288	0.7
61.36411	0.8
67.05430	51.9
68.05758	1.0
69.03345	1.7
69.06990	72.9
70.07294	1.0
70.74709	0.9
71.04913	4.8
71.08549	8.6
75.69572	0.8
79.05410	38.1
81.02854	1.7
81.03337	43.0
81.06506	1.8
81.06979	52.0
83.04899	12.5
83.08543	34.9
85.06472	1.5
85.10138	6.4
91.05400	15.9
93.06975	42.0
94.07274	0.9
95.04897	26.6
95.07962	1.7
95.08541	37.5
97.06470	4.4
97.10109	17.9
99.08035	1.4
105.06977	13.4
107.08541	26.6
109.06454	5.5
109.10116	23.3
111.08073	4.9
111.11665	5.5
112.99970	59.9
113.09579	1.3
117.07008	1.1
119.08532	12.8
121.10104	19.0
123.08071	0.9
123.11663	5.8
125.09590	6.9
131.08546	1.3
133.10118	11.1
135.08020	3.6
135.11664	13.3
137.13176	1.9
143.08545	1.6
147.11691	8.4
149.13246	6.5
151.11166	28.3
153.09103	1.4
157.10196	1.1
161.13266	7.0
163.14777	3.7
165.12708	7.4
169.02579	22.5
171.11542	1.0
175.14804	1.9
177.12698	0.9
179.14265	4.3
185.13232	1.3
187.03621	1.4
193.12125	1.1
231.21069	5.4
241.19482	4.1
249.22076	3.7
259.20587	2.0
277.21567	100.0
278.21881	5.0
295.22641	21.8
339.28888	95.4
340.29135	5.4
433.27057	3.0
470.15482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	0.4
59.08890	0.4
61.74647	0.4
64.33222	0.4
64.49599	0.4
65.03852	1.0
70.06498	1.7
74.49662	0.4
79.05424	2.9
79.06064	0.4
84.44774	0.3
91.04825	0.6
91.05403	16.9
92.63850	0.4
95.04890	0.6
97.83825	0.4
105.04520	0.4
107.04902	8.2
115.05389	0.6
119.04900	44.9
120.05235	0.6
124.05159	0.9
125.05936	1.6
141.06975	0.8
145.02846	0.7
146.05925	0.5
147.04391	100.0
148.04762	2.5
152.04712	0.5
157.06468	0.8
158.07275	0.7
166.06233	0.8
167.06985	6.6
170.07205	4.0
175.42419	0.5
177.05408	1.0
185.05945	0.8
186.06618	2.8
187.07558	1.0
191.08577	0.5
200.08226	0.6
201.09085	3.2
203.08617	0.6
216.07690	0.6
219.07996	2.4
220.08781	1.6
229.08557	2.9
231.08022	2.6
231.10139	4.7
232.08694	1.0
233.09668	1.7
234.10339	0.8
245.09554	0.8
246.06673	0.5
247.07521	4.1
248.08163	3.8
249.08899	0.7
259.07483	1.0
260.08157	0.5
261.09033	0.9
262.09882	2.3
263.10583	2.5
264.07916	0.6
265.08588	2.2
275.06906	1.9
276.07678	3.2
277.08499	2.0
278.05899	0.5
278.09097	0.4
279.10098	0.7
280.10767	0.5
289.08551	0.5
290.09241	1.8
291.07022	0.7
291.10022	5.4
292.07269	1.8
293.08002	4.6
305.07996	1.6
305.11566	0.8
307.06564	0.4
307.09570	3.4
308.10370	2.3
318.08957	0.8
319.09625	2.8
320.06836	0.5
321.07437	1.0
322.08267	0.9
323.09238	0.7
323.12827	2.4
325.10712	0.7
335.09143	0.8
336.09747	2.3
337.10617	2.1
338.07767	0.8
350.11505	0.6
351.12195	2.6
352.13037	0.5
353.10126	4.2
368.12479	6.3
383.14816	50.4
384.15100	2.7
517.18286	1.4
539.54651	0.5
547.19287	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	746.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48024	0.1
65.03860	0.6
70.06504	0.2
77.97929	0.1
79.05387	0.3
91.05407	9.1
92.10335	0.2
95.04904	0.2
103.05395	0.9
105.06976	4.4
107.04880	1.3
115.05405	0.8
118.04082	0.6
119.04895	27.8
120.05234	0.2
120.96619	0.2
121.06360	0.2
131.04883	0.8
133.06451	4.2
142.86443	0.2
143.49167	0.1
145.06438	0.2
147.04384	100.0
148.04692	2.4
149.05940	0.2
161.05939	4.4
163.07463	0.3
165.06885	0.2
169.32625	0.2
176.04727	0.2
177.05420	0.9
191.06998	2.0
193.08597	1.0
207.08072	0.3
208.08876	0.8
209.08008	0.3
211.07486	0.8
216.46643	0.1
217.08580	0.2
218.07286	0.3
219.08066	0.6
221.05716	0.2
233.09663	0.6
234.06680	0.2
235.07500	0.2
236.08368	0.3
237.08939	0.2
247.07405	0.2
260.53482	0.1
261.09021	0.2
264.07571	0.2
271.09741	1.2
277.08374	0.2
279.10178	0.2
323.09180	1.5
337.21802	0.1
349.48874	0.2
355.11795	0.4
356.75537	0.2
373.12250	0.2
540.16193	0.2
547.19244	0.3
611.99329	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81437	0.2
59.75016	0.1
65.03862	1.5
66.94101	0.1
79.05416	1.8
81.06947	0.2
91.05408	18.6
92.05747	0.2
95.04890	0.7
104.89542	0.2
107.04898	5.4
107.05614	0.2
114.15653	0.2
115.05386	0.4
119.04897	47.1
119.55118	0.2
120.05238	1.0
124.05153	0.7
125.05974	0.7
129.06961	0.3
131.04910	0.2
131.08540	0.3
133.06409	0.3
141.06972	1.2
144.05710	0.6
145.02815	0.2
145.06419	0.2
147.04388	100.0
148.04727	2.5
152.04672	0.3
156.05606	0.3
157.06479	1.4
158.07239	0.8
159.08035	0.3
166.06216	0.3
167.07002	4.7
169.06494	1.0
170.07233	2.4
173.05916	0.2
177.05437	0.4
183.08040	0.2
185.05943	0.3
186.06674	2.0
187.07489	1.1
190.07811	0.3
191.08482	0.3
192.09291	0.2
198.06755	0.3
200.08353	0.8
201.09023	1.6
202.07771	0.6
203.08554	0.7
205.06546	0.3
205.08424	0.5
207.08052	0.2
209.09601	0.2
211.73964	0.2
214.06232	0.2
215.06845	0.2
215.08675	0.3
216.07695	0.4
217.08429	0.6
218.07159	0.6
219.08011	2.2
220.08798	1.4
221.09511	0.3
229.08601	3.0
230.07271	0.6
231.07945	1.9
231.10155	3.0
232.08679	0.6
233.05937	0.4
233.09525	1.7
234.06683	0.8
234.10463	0.3
235.07549	0.3
235.11177	0.4
236.08342	0.2
237.09055	0.3
243.08040	0.2
245.05882	0.2
245.09567	1.1
246.06834	0.6
247.07494	3.9
247.09792	0.3
248.08253	3.8
249.08986	1.1
250.06174	0.4
251.06842	0.3
251.10513	0.2
253.08398	0.2
258.06738	0.2
259.07327	1.1
260.08240	0.8
261.05414	0.3
261.09036	1.5
262.06512	0.5
262.09818	1.8
263.07068	0.3
263.10620	2.9
264.07788	0.7
264.10773	0.2
265.08466	1.5
266.09378	0.2
273.09027	0.2
274.06076	0.2
275.06982	2.0
276.07764	2.7
277.08539	1.8
278.05661	0.7
278.09119	0.3
279.06607	0.3
279.10144	1.3
281.07825	0.2
288.07892	0.2
289.08597	0.4
290.05991	0.2
290.09302	2.4
291.10101	4.0
292.07257	1.2
292.10455	0.3
293.08124	3.4
293.11334	0.4
294.08707	1.0
303.06369	0.2
304.07281	0.7
305.07941	1.1
305.11288	0.4
306.08710	0.2
307.06165	0.3
307.09552	2.3
308.10297	2.0
309.11139	0.3
310.08368	0.4
315.08621	0.6
319.09464	1.5
320.06778	0.2
320.10126	0.2
321.07477	1.6
321.11148	0.8
322.08252	1.0
322.12018	0.8
323.09189	0.3
323.12613	1.8
325.10522	0.3
326.11188	0.5
333.11234	0.2
335.09027	0.9
336.09839	2.3
337.10641	2.6
338.07758	0.8
339.12045	0.2
340.12833	0.3
350.11411	1.1
351.12219	4.9
352.12991	0.9
353.10022	2.8
354.10391	0.2
355.15439	0.3
368.12454	4.2
369.13107	0.8
383.14798	38.7
384.15048	2.1
401.15857	0.2
404.05466	0.2
411.14227	0.2
517.18042	1.0
547.19562	2.7
548.19940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63485	0.3
58.06532	0.4
61.84090	0.3
64.53863	0.3
65.03856	0.5
69.03349	0.5
70.06508	0.7
72.08077	5.2
81.03315	1.5
84.08051	0.3
85.02838	0.7
91.05410	11.7
92.05740	0.5
97.02844	0.5
106.02853	0.4
109.02836	1.3
110.07101	0.4
112.11150	0.5
113.90416	0.3
119.04900	28.4
120.05207	0.5
124.03893	1.6
127.03873	0.3
133.19373	0.3
145.02823	1.1
146.06006	1.9
147.04391	100.0
148.04807	2.3
150.05522	0.3
162.05475	6.2
166.04968	0.3
175.03972	0.6
176.10768	0.4
177.05455	1.7
181.04938	0.7
184.69328	0.3
203.11783	3.9
204.10176	15.7
205.10532	0.4
207.06500	0.7
218.11769	1.1
274.19077	1.8
275.17557	1.6
292.20190	2.2
438.23679	2.1
523.82355	0.3
600.28900	2.3
746.32703	21.4
747.32806	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	746.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.6
55.01799	0.4
55.05452	12.6
56.04725	0.4
56.04977	8.0
57.07016	3.1
58.02896	3.5
60.04454	2.5
65.03849	1.4
66.13886	0.3
67.05430	23.0
67.05785	0.9
68.04953	4.2
69.06988	13.5
71.08531	0.6
72.04428	1.6
76.56340	0.3
79.05409	14.2
80.04929	3.2
81.05727	0.4
81.06974	21.2
82.06033	0.5
82.06499	11.0
83.04890	1.5
83.08530	8.7
85.10091	1.5
86.05984	2.9
90.49048	0.3
91.05403	8.3
93.06971	10.6
94.06498	4.5
95.04892	1.7
95.07268	0.8
95.08533	17.4
96.08047	2.3
97.06460	0.8
97.10098	3.4
98.05969	2.3
100.07534	2.8
105.06988	4.3
107.08548	4.2
108.08054	1.9
109.10112	5.8
110.09637	0.5
112.07564	0.7
114.09167	0.4
119.08543	3.9
121.10114	4.2
122.09618	0.8
123.11629	1.6
131.08450	0.4
133.10117	2.8
135.11650	1.9
136.11163	0.5
147.11658	0.7
176.89459	0.4
182.48901	0.3
191.17902	0.5
250.25246	9.9
260.23593	0.4
262.25320	5.5
263.23523	0.8
271.86438	0.4
272.08902	0.3
280.26297	100.0
281.26608	4.9
298.27341	16.5
299.27744	0.6
337.27231	0.7
414.11432	0.4
656.60645	0.5
657.06897	0.4
737.91400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	0.8
54.81468	0.4
55.05439	3.2
55.05698	0.4
57.03374	3.8
57.07011	29.1
62.06016	22.6
63.03894	0.4
64.98093	0.5
67.05431	4.5
69.06998	3.4
69.07296	0.4
71.08545	18.0
81.06973	6.3
83.08543	4.0
85.10104	9.7
85.49207	0.5
85.49757	0.5
89.05965	0.6
95.08533	9.3
97.10089	3.3
98.98392	6.6
109.10120	5.2
123.11648	0.9
124.01553	2.6
131.34703	0.5
137.13239	0.7
142.02666	0.6
143.46452	0.5
155.01007	5.7
173.02065	1.1
216.06210	0.7
239.23660	1.2
282.27856	13.3
283.28110	0.8
313.27301	100.0
314.27625	6.1
393.23975	6.4
405.58087	0.6
436.28119	26.4
437.28513	1.1
454.29227	31.9
455.29810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06519	4.5
71.70659	0.5
72.08081	3.5
79.03616	0.4
81.03337	2.0
84.08062	0.8
85.02821	0.9
89.03854	8.2
89.10732	0.7
91.05402	2.9
109.02863	1.1
117.03339	26.1
118.03574	0.5
119.04900	9.1
124.03923	0.8
129.10205	0.7
134.03619	0.8
135.04391	2.7
137.21078	0.5
144.82484	0.5
145.02841	85.6
146.03169	2.2
146.06009	5.5
147.03201	1.0
147.04401	31.6
149.05980	10.2
162.05472	4.5
163.03885	0.8
163.26418	0.5
177.05452	100.0
178.05772	3.5
178.90964	0.5
186.05495	0.7
207.06511	0.9
218.11781	2.6
235.14380	7.7
248.12776	2.0
253.19897	0.5
261.12366	0.9
265.15439	9.9
267.98770	0.5
291.13324	0.7
312.47452	0.5
321.09512	0.8
339.10672	0.7
411.19095	16.5
412.19583	1.8
573.23492	0.7
603.25305	3.1
715.67419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86532	0.2
60.04444	0.5
67.05405	0.3
71.28960	0.2
79.87106	0.2
81.21539	0.2
84.32326	0.2
89.25101	0.2
96.94122	0.2
107.08540	0.9
108.08886	0.3
111.68654	0.2
119.08540	2.9
120.08834	1.2
135.08047	1.0
230.09384	0.2
303.11966	2.6
335.17862	0.4
335.21835	9.3
336.22031	0.3
366.41965	0.3
437.19244	100.0
438.19623	5.4
439.19757	0.3
603.17474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96491	0.2
60.04452	0.3
65.52186	0.1
76.02707	0.2
77.49168	0.1
81.06964	0.2
97.85796	0.2
102.24222	0.2
119.08524	0.3
186.46474	0.2
204.97955	0.2
245.12361	0.2
296.89389	0.2
303.12067	1.2
335.20862	0.9
337.20230	0.3
353.21725	1.1
437.19272	100.0
438.19644	6.3
439.19565	0.2
440.71466	0.2
666.28619	0.2
749.43384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82053	0.7
55.05444	2.2
61.82222	0.4
62.13323	0.5
65.03848	0.8
67.05434	1.3
70.06509	2.9
70.87458	0.6
71.08544	0.6
72.08074	5.9
74.30424	0.5
79.05396	0.8
81.06982	0.6
83.08533	0.7
84.08079	1.2
86.09676	1.2
91.05409	15.1
93.06971	0.9
97.10085	0.7
105.82617	0.7
110.12046	0.6
112.11201	0.7
119.04893	36.4
122.34100	0.7
130.06534	0.7
135.93590	0.6
145.02852	3.0
147.04388	100.0
148.04735	2.5
177.05478	3.7
178.05858	0.7
203.11801	2.5
204.10173	15.6
274.19135	1.4
275.17578	0.8
292.20212	3.8
305.15680	0.6
438.23840	2.6
632.36700	1.0
732.45538	1.3
750.46655	29.9
751.23529	2.2
751.46802	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	750.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	1.2
70.06498	2.0
72.08070	11.2
76.18049	0.8
84.04438	0.7
84.08059	4.7
91.05403	11.6
112.11179	1.2
117.03223	0.9
119.04894	30.5
145.02797	4.1
146.05977	5.0
147.04385	100.0
148.04738	1.6
155.11780	1.4
162.05431	0.7
168.17439	17.1
177.05437	3.8
203.11752	3.5
204.10150	20.1
213.25632	0.9
277.12061	0.7
292.20148	3.0
352.16803	0.8
438.23526	1.4
522.63422	0.8
534.33319	7.1
586.41382	1.4
604.43011	5.8
632.36469	1.3
693.44226	0.9
732.45740	1.1
750.46637	29.1
751.46564	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	751.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58919	2.7
54.81849	2.9
61.38699	3.1
63.91962	2.7
64.33493	3.8
67.05388	3.6
70.06500	21.0
72.08053	5.8
81.06966	5.5
83.63687	3.1
89.03818	5.7
91.05374	5.2
92.11108	3.1
96.21249	3.0
100.92354	3.3
105.99998	3.2
114.61388	3.0
117.03316	20.6
119.04876	18.0
145.01892	3.4
145.02864	51.6
147.04396	58.3
148.04738	5.2
161.73763	4.2
173.34390	2.9
177.05417	48.3
184.01860	3.3
204.10100	19.3
204.97905	4.5
235.27032	3.2
256.18927	4.5
274.33719	3.3
438.23611	12.3
439.24249	3.7
751.23358	100.0
751.45428	6.6
752.23462	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	751.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66870	0.2
68.19526	0.3
92.64811	0.3
93.15371	0.3
116.86569	0.3
257.58243	0.3
272.77567	0.3
284.11871	0.3
303.12045	2.9
335.21954	0.6
336.22369	0.5
337.23431	21.4
437.19257	100.0
438.19617	13.7
439.19901	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	751.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87959	0.1
91.67175	0.1
143.20055	0.1
158.42908	0.1
243.14493	0.5
303.11929	2.8
335.21933	0.2
336.22092	0.2
337.23428	9.5
338.23691	0.3
355.23209	1.0
437.19266	100.0
438.19611	10.3
439.19775	2.6
528.63727	0.1
588.92859	0.1
751.42914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.3
55.05432	0.6
63.02298	0.6
65.01190	0.3
70.06518	6.4
72.08074	7.3
81.37175	0.3
84.04425	0.9
84.08057	0.9
89.03837	11.6
91.05407	3.6
93.04436	0.4
93.06980	5.8
95.04893	2.5
98.05980	0.6
103.05385	4.0
110.07113	0.5
112.86298	0.4
117.03332	38.8
118.03664	0.9
119.04893	1.9
121.06456	28.8
134.03603	2.5
135.04410	3.0
145.02831	100.0
146.03139	3.1
146.06001	1.8
147.04404	1.8
149.05960	14.4
161.57608	0.4
162.05437	0.9
163.03883	0.7
164.07050	2.5
164.78511	0.4
177.05440	98.4
178.05721	2.7
180.86845	0.4
186.05463	2.0
191.07019	0.7
201.05379	12.1
205.06416	1.8
219.08015	0.9
220.05101	1.5
221.05931	0.5
222.06705	1.7
233.05820	0.5
234.06775	1.9
235.07520	6.5
237.09047	5.5
247.07446	1.8
248.04504	0.9
248.12718	0.6
249.05539	1.4
250.06178	0.9
256.06000	7.4
263.06952	9.8
264.07623	0.9
265.05096	1.0
265.08548	11.8
265.15350	0.9
266.08932	0.7
267.06522	0.5
277.08563	0.5
280.07239	3.0
282.08832	16.6
291.06442	11.1
292.06784	0.7
296.10400	0.8
297.11145	8.6
298.10800	0.9
308.06763	2.0
313.10657	0.9
315.13351	0.6
323.09094	34.2
324.09448	2.5
341.11160	0.9
394.16199	0.8
421.17676	0.5
422.15796	5.3
439.18582	25.8
440.18692	2.4
460.17487	18.6
461.17493	1.5
465.16620	1.6
488.16858	8.6
489.17471	0.9
555.77820	0.5
576.27386	0.4
615.13989	0.6
615.23212	13.6
616.23419	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	752.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.3
55.05449	1.9
55.73959	0.3
61.20857	0.4
63.02295	0.5
70.06507	3.0
72.08065	7.1
89.03829	10.2
89.10705	0.6
91.05367	3.4
92.10970	1.0
93.06953	0.7
95.04856	0.5
95.55774	0.4
98.05978	2.6
103.05429	0.7
115.08643	2.9
117.03327	32.0
119.04881	2.7
121.06439	6.2
124.05177	0.5
133.02820	1.0
134.03580	1.7
135.04405	3.4
137.05927	4.4
145.02821	96.9
146.03159	2.1
146.06049	0.5
147.04431	3.2
149.05952	12.8
151.03922	0.5
163.03889	2.3
175.03906	2.1
177.05426	100.0
178.05780	2.8
186.03027	0.7
186.05458	1.1
187.03851	0.8
190.20325	0.5
201.05458	4.5
205.06441	3.2
222.06703	1.6
223.14412	0.5
233.05928	2.9
234.06702	0.8
235.07497	1.1
237.09128	0.9
247.07431	0.6
248.12669	0.8
249.05229	1.6
249.09003	0.5
250.06134	2.2
251.06895	0.7
263.06992	1.9
264.07794	1.1
265.04999	2.5
265.08539	4.2
265.15417	8.5
275.07233	0.6
278.05734	1.8
279.06638	0.8
279.10153	0.6
280.07083	0.8
282.08704	1.7
291.06442	1.0
291.13272	11.8
292.07156	4.9
292.13864	0.6
293.04391	4.3
293.07959	4.4
295.09525	0.9
297.11172	0.8
304.03537	0.8
307.09698	7.0
308.06726	27.0
309.07025	1.8
319.05875	1.8
323.09012	6.9
325.10629	10.5
336.06168	2.5
351.08560	20.7
352.08865	0.7
422.15833	4.3
439.18539	19.1
440.18723	0.9
462.18945	9.9
465.16284	0.7
488.16403	0.6
576.26971	7.9
615.23126	7.2
752.32440	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	752.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29869	1.8
60.04452	3.4
70.06505	24.5
72.08067	15.6
80.62705	2.4
84.04374	2.8
84.08071	4.7
86.09605	9.4
89.03838	4.9
91.05424	2.8
93.06954	2.3
117.03327	20.3
119.04866	4.7
121.06470	24.5
129.10165	3.1
131.55576	2.4
135.04378	3.0
135.24220	2.7
137.05917	10.4
138.09157	3.4
138.23836	2.4
140.90303	2.5
145.02844	32.5
147.04417	18.5
149.05972	4.0
154.09242	2.3
162.09567	2.3
173.05975	4.6
176.43045	2.7
177.05450	50.7
186.03040	16.7
201.05415	23.0
205.06467	20.5
221.05862	4.0
222.06752	5.5
233.05969	26.4
234.06511	3.4
237.09023	12.9
247.07538	4.5
248.04762	3.2
249.05545	7.8
250.06175	16.7
261.05646	4.7
263.06973	4.2
264.07727	14.0
265.04947	4.8
265.08517	28.3
265.15292	20.0
266.09076	2.6
267.06436	2.8
271.42761	2.8
276.04211	3.3
277.04846	4.8
278.05734	10.5
280.07132	3.8
291.06427	6.0
291.13217	3.0
292.07257	46.5
293.04333	15.4
293.07932	28.3
297.11172	4.1
304.03485	3.6
307.09625	53.6
308.06732	69.0
308.10187	4.7
310.08206	3.1
319.06012	4.0
323.09058	29.1
325.10690	63.8
326.10684	3.9
336.06213	14.7
342.27643	2.8
346.02515	2.4
351.08572	100.0
352.08951	9.9
413.20511	4.5
488.17004	11.7
576.26910	9.1
589.25226	3.8
648.65405	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	753.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.3
55.05449	1.9
56.04979	1.8
57.03383	0.2
61.01088	0.3
63.02294	0.4
65.03870	0.8
67.01763	0.2
67.05436	0.2
68.04937	0.2
69.03355	0.4
69.46663	0.2
70.06507	23.8
71.04940	0.2
71.06827	1.2
72.07661	0.3
72.08067	8.3
73.08388	0.2
74.05986	1.2
76.56586	0.2
78.04597	0.2
81.03344	2.5
83.06020	0.4
84.04424	4.0
84.08051	2.6
85.02843	1.1
86.06007	0.2
86.09620	2.4
89.03835	9.1
89.10703	1.0
91.05389	1.3
92.10564	0.9
93.04455	0.2
95.04900	0.9
95.14800	0.2
96.04390	0.2
97.02817	0.3
98.05975	0.5
99.04356	0.3
101.07076	1.0
102.05484	1.5
103.05392	0.4
104.05246	0.5
106.04137	0.4
107.04887	0.3
108.02065	0.4
109.02838	1.4
110.07114	3.8
111.04358	1.7
111.07393	0.2
112.07482	0.2
112.08680	1.0
113.07044	0.3
115.08656	1.2
116.07034	1.2
117.03326	31.6
118.03654	0.5
119.04852	1.1
120.05312	0.2
121.06428	0.5
124.03904	0.3
125.05932	1.3
127.03867	0.4
127.08673	0.4
129.06537	0.2
129.10170	1.5
134.03592	1.4
135.04404	2.5
136.07559	1.7
141.05424	1.3
141.06509	0.6
145.02820	84.5
146.03133	2.2
146.05968	1.5
147.04385	0.8
149.04773	0.4
149.05960	11.6
150.06342	0.2
151.03880	43.6
151.04953	2.5
152.04195	1.0
155.08115	1.2
159.07545	0.3
162.03072	0.3
162.05458	1.8
163.03867	0.8
167.08118	0.2
169.04901	2.6
169.13287	0.5
171.11224	0.3
177.05429	100.0
178.05753	3.1
181.09723	0.5
182.48439	0.2
186.05438	1.1
207.06520	0.3
212.10304	0.2
247.14417	0.5
248.12727	2.9
256.12698	0.3
265.15393	16.7
266.15662	0.5
291.13385	3.3
295.08072	2.1
313.09042	1.9
320.93301	0.2
393.92987	0.3
441.20099	17.8
442.20502	1.4
500.14502	0.2
515.15863	0.3
577.23761	5.1
606.68182	0.2
753.27545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94748	0.5
55.05434	1.2
62.49338	0.4
63.02305	0.5
64.32990	0.5
67.05415	2.1
69.06963	0.6
70.06490	1.1
72.08050	2.9
79.05395	2.0
80.42923	0.4
81.06961	1.2
84.57108	0.6
89.03836	10.5
91.05396	3.3
93.06933	1.9
95.04900	0.8
95.08511	0.7
97.10085	0.8
103.05399	0.7
107.08509	0.7
108.71896	0.5
111.03718	0.6
117.03329	39.2
119.04892	3.1
125.09566	0.7
134.03610	2.9
135.04393	4.0
145.02824	95.0
146.03156	3.3
147.04419	1.2
149.05965	13.7
151.11143	0.9
163.03853	0.7
174.21274	0.5
175.03853	3.3
177.05434	100.0
177.12665	6.0
178.05760	2.8
186.05470	2.3
189.11198	0.6
243.65833	0.5
248.12766	2.8
265.15411	14.4
266.15744	0.7
277.21512	0.8
291.13361	2.8
353.17126	1.0
366.69415	0.6
407.16595	0.6
435.25180	0.6
441.20032	8.4
453.26086	0.8
459.28299	4.4
521.00745	0.5
559.37335	0.8
577.38214	2.7
635.32977	4.7
679.72162	0.7
753.45984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	4.1
65.36823	2.4
69.03351	5.2
70.06501	31.8
72.08054	6.8
81.03337	22.6
84.04449	4.8
85.02879	3.6
91.05412	5.8
93.35529	2.5
97.02841	12.4
105.74490	2.8
109.02843	20.2
110.07126	4.4
117.03342	3.9
119.04904	12.4
124.03898	12.0
127.03862	3.2
129.86777	2.8
135.04385	3.5
138.42323	2.6
145.02786	25.9
146.06001	74.5
147.04385	25.7
151.03854	3.4
162.05464	42.9
163.03889	3.5
175.03870	14.4
177.05511	40.7
184.02869	5.0
186.04237	2.9
190.04808	3.3
202.03874	5.1
207.06537	17.3
217.08678	3.0
235.09677	4.7
265.12112	17.1
266.10593	5.0
283.13303	60.0
284.11636	17.0
301.14233	21.6
302.12509	3.1
309.11200	36.1
323.09021	13.0
324.09439	13.6
327.12134	11.5
381.25189	19.0
389.22363	3.5
407.23224	16.4
425.24277	17.6
449.53986	2.9
451.22302	5.0
473.27676	6.3
491.28760	28.5
517.26764	15.4
594.31067	3.3
633.40283	33.0
699.43915	4.4
717.45856	47.0
753.43512	100.0
754.43207	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	754.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16203	0.2
63.02307	0.3
64.02831	0.1
70.06519	1.5
72.08073	2.5
78.04643	0.3
84.04426	0.3
89.03842	7.2
89.10725	1.8
91.05412	0.4
91.87519	0.2
106.04132	0.2
115.08644	0.4
117.03333	25.0
118.03668	0.2
119.04892	0.3
121.06466	0.2
124.05164	0.3
134.03552	1.4
135.04411	2.0
135.24046	0.2
145.02829	74.9
146.03156	2.4
146.06012	0.2
149.05966	8.9
150.06316	0.3
162.03136	0.2
163.03825	0.7
171.95216	0.2
177.05440	100.0
178.05788	3.6
186.05438	1.0
207.57622	0.2
247.14261	0.3
248.12816	3.3
265.15421	18.0
266.15707	0.4
291.13354	2.0
378.51639	0.2
441.20111	18.3
442.20544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.5
54.34016	0.2
55.01809	0.3
56.04974	0.8
57.03378	0.4
57.38596	0.2
61.01089	0.3
69.00586	0.2
69.03344	3.9
70.06509	1.1
71.04890	0.9
72.08084	0.3
73.02825	0.4
78.03371	5.4
78.51770	0.2
80.04932	0.9
81.03336	9.5
81.03791	0.3
83.04893	0.4
84.04420	0.8
85.02824	4.1
91.05410	0.3
93.04471	0.2
96.04406	3.1
97.02827	4.2
99.04363	1.8
99.07453	0.2
104.05269	0.5
106.02858	30.4
107.03216	0.4
109.02832	8.5
110.03169	0.3
110.07107	1.8
116.04935	0.8
119.04875	0.8
124.03911	51.6
125.04250	1.0
127.03874	3.0
134.05972	4.7
136.07532	0.5
144.04436	1.3
146.06018	0.5
147.04424	1.5
148.03935	0.8
158.05966	0.3
161.04616	0.2
162.05470	100.0
163.03751	0.2
163.05804	2.5
164.25830	0.2
166.04958	0.4
174.05580	0.3
175.03893	0.4
177.05426	0.2
179.09103	0.2
186.05466	1.4
190.04947	9.1
196.05956	0.2
200.07005	0.3
204.06490	1.2
207.06369	0.4
208.05977	2.6
226.06999	0.2
239.92033	0.2
250.07066	3.1
262.07095	0.3
268.08093	22.5
269.08365	0.7
270.07474	0.2
274.26447	0.2
343.13260	0.2
429.12872	5.6
430.13135	0.4
457.12369	2.3
475.13324	3.0
517.13953	1.0
583.15320	2.6
601.16498	20.6
602.17651	1.5
619.17596	19.4
620.17554	1.6
737.22363	0.4
755.25220	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	755.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	1.9
54.59832	0.2
55.01816	0.2
55.05442	0.2
56.04970	0.4
57.03372	0.9
57.12943	0.2
61.01058	0.2
62.61204	0.2
68.15236	0.2
69.03350	4.3
70.06508	1.5
71.04911	1.2
73.02818	0.4
78.03365	6.0
80.04928	1.0
81.03334	9.4
83.04893	0.4
84.04415	0.4
84.08079	0.4
85.02822	4.1
95.04958	0.2
96.04411	4.0
97.02824	4.7
99.04366	1.9
104.05244	0.2
106.02857	32.1
106.06437	0.3
107.03169	0.3
109.02831	9.8
110.07107	1.1
116.04944	0.4
117.03307	0.3
119.04883	0.3
121.02791	0.4
124.03908	59.6
125.04232	1.2
125.80237	0.2
127.03866	3.6
134.05986	4.3
136.07561	0.3
144.04405	0.9
145.02834	0.4
145.04942	0.2
146.06027	0.8
147.04388	0.9
148.03850	0.4
158.05956	0.3
161.04695	0.3
161.06003	0.2
162.05466	100.0
163.05792	3.3
166.04973	0.8
174.05623	0.3
177.05446	0.8
186.05464	1.1
190.04950	9.0
196.05836	0.2
204.06508	1.7
207.06575	0.3
208.06033	3.2
226.07074	0.3
232.05959	0.3
234.07611	0.3
237.48717	0.2
244.87398	0.2
250.07042	4.3
268.08087	25.6
269.08356	1.0
270.07492	1.0
316.08081	0.3
334.09167	0.3
429.12836	6.0
457.12317	2.0
457.56708	0.3
475.13406	2.8
517.14185	1.0
583.15552	2.0
601.16528	21.3
602.16711	1.8
619.17560	19.4
620.17590	1.8
644.36804	0.3
737.23315	0.3
755.24634	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	755.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	0.5
60.04451	0.4
61.02814	0.3
65.36823	0.3
69.03345	2.2
70.06509	1.5
72.08067	0.3
81.03320	2.9
84.08079	0.9
85.02827	1.9
86.54012	0.4
87.68589	0.3
89.03876	0.4
90.22216	0.4
91.05406	3.1
97.02824	2.2
106.02827	0.7
107.04885	1.5
109.02838	5.1
110.07112	0.7
116.04921	0.5
117.03345	0.7
119.04900	3.1
124.03918	0.7
127.03841	2.2
134.05972	2.5
144.04453	0.8
145.02800	3.1
146.05980	3.4
147.04398	5.4
148.03870	0.6
151.03896	0.7
162.05469	100.0
163.03845	1.4
163.05794	3.0
175.03877	5.6
177.05453	3.9
190.04936	10.7
207.06503	6.7
208.06015	9.4
216.78815	0.4
270.07587	0.5
282.02786	0.5
316.08176	2.1
334.09122	6.9
352.10281	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	755.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	0.5
60.04451	0.4
61.02814	0.3
65.36823	0.3
69.03345	2.2
70.06509	1.5
72.08067	0.3
81.03320	2.9
84.08079	0.9
85.02827	1.9
86.54012	0.4
87.68589	0.3
89.03876	0.4
90.22216	0.4
91.05406	3.1
97.02824	2.2
106.02827	0.7
107.04885	1.5
109.02838	5.1
110.07112	0.7
116.04921	0.5
117.03345	0.7
119.04900	3.1
124.03918	0.7
127.03841	2.2
134.05972	2.5
144.04453	0.8
145.02800	3.1
146.05980	3.4
147.04398	5.4
148.03870	0.6
151.03896	0.7
162.05469	100.0
163.03845	1.4
163.05794	3.0
175.03877	5.6
177.05453	3.9
190.04936	10.7
207.06503	6.7
208.06015	9.4
216.78815	0.4
270.07587	0.5
282.02786	0.5
316.08176	2.1
334.09122	6.9
352.10281	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	756.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97493	0.3
57.03366	0.4
61.02840	1.7
65.11131	0.4
69.03365	3.7
70.06480	0.5
75.38540	0.4
76.56132	0.4
81.03320	2.0
85.02819	12.1
87.04398	0.6
91.03889	0.4
97.02821	3.1
100.84962	0.4
108.77216	0.4
109.02835	1.7
124.44173	0.4
127.03871	2.2
130.06461	0.7
131.37846	0.4
134.05966	1.0
144.04335	0.6
145.04964	2.3
161.64784	0.5
162.05460	100.0
163.05766	3.2
186.05397	0.6
190.04955	16.1
200.48630	0.5
204.06497	4.4
208.06015	25.6
228.06419	0.4
247.69336	0.4
250.07047	0.6
370.11227	22.7
371.11429	0.5
551.54724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.0
57.03386	1.1
61.02850	1.0
69.03344	4.5
70.06520	5.2
72.08081	5.0
79.05408	6.1
81.03336	14.9
84.04421	1.3
85.02821	14.9
91.05406	5.3
95.04905	2.0
97.02817	7.6
103.05390	2.4
105.06997	1.2
107.04888	12.6
109.02844	2.0
115.05447	7.2
116.51353	1.0
117.06963	22.2
119.04889	4.9
123.04369	2.4
124.05193	2.3
125.05994	1.2
127.03876	2.2
129.06946	2.1
131.04869	1.7
131.08524	6.0
137.05983	1.4
141.07034	1.5
142.31052	1.0
144.05696	4.4
145.02850	2.0
145.06458	64.3
146.05859	1.4
146.06850	2.3
147.04384	19.1
147.08018	2.1
148.04742	1.7
155.06023	4.8
156.05638	9.6
157.06468	1.7
159.07990	9.3
161.05948	7.7
162.05441	6.7
163.03836	2.3
167.07004	53.2
169.06505	1.2
173.05937	92.6
173.35951	1.2
174.06284	4.0
175.07468	1.5
177.05444	6.5
187.07483	10.4
190.06206	55.9
191.06889	4.9
193.08617	2.1
202.06245	6.5
203.06973	9.3
204.10286	1.2
205.08575	100.0
206.08928	4.7
207.06427	1.3
217.08554	59.9
218.08978	2.3
219.08130	1.5
219.10219	5.2
235.07344	1.5
235.09586	26.1
247.07399	1.7
247.09583	8.7
248.08104	1.6
257.82892	1.1
261.09180	1.2
264.08047	1.3
265.10657	46.4
269.07941	1.4
271.09650	2.2
277.08417	1.2
282.02802	1.9
291.10086	2.4
307.09482	1.2
315.08459	7.7
323.12628	1.6
330.10947	8.8
331.11685	1.2
334.16824	1.2
336.09814	1.4
339.12286	1.4
351.12170	3.5
383.14761	8.6
401.15833	19.0
452.21606	5.0
454.22980	1.3
758.10547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	1.4
53.19676	0.2
54.47534	0.3
61.10960	0.2
62.53924	0.3
69.03339	2.6
69.59789	0.3
70.06512	0.5
71.04874	0.3
78.03370	4.2
80.04919	1.5
81.03334	5.1
84.04410	0.3
84.08067	0.4
85.02821	2.5
86.09628	0.4
89.03790	0.3
91.05385	0.4
92.10130	0.3
96.04423	3.9
97.02833	0.7
103.05357	0.5
103.45041	0.3
106.02857	21.7
107.03187	0.4
109.02824	2.3
116.64910	0.3
117.03323	0.4
119.04913	0.6
124.03907	59.7
125.04267	0.6
127.03869	1.9
130.06491	100.0
131.06842	3.5
133.29845	0.3
143.07307	0.6
144.08063	7.0
145.02838	1.1
146.05975	1.9
147.04375	1.5
158.05998	0.6
159.06738	0.4
162.05470	0.3
164.79851	0.3
166.04967	1.1
168.53064	0.3
170.05975	1.7
172.07532	7.7
174.05505	1.2
174.57088	0.3
174.63205	0.3
177.05351	0.5
181.04688	0.3
181.06349	0.3
196.07614	0.5
210.09099	0.4
226.06981	2.9
238.08598	2.0
239.90720	0.3
250.07025	1.5
268.08096	16.3
269.08487	0.6
343.35199	0.3
379.13010	0.6
397.13882	1.1
415.45081	0.3
420.88565	0.3
441.31647	0.4
477.16638	0.5
537.18604	0.4
605.19745	2.4
684.07471	0.3
744.23895	0.4
762.24768	5.5
763.24725	1.5
775.93811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96147	0.1
58.06502	0.1
59.10098	0.1
61.69911	0.1
65.03838	0.6
67.01675	0.1
69.03339	0.6
70.06492	0.2
72.08067	4.4
81.03284	0.2
84.08038	0.4
85.02805	0.4
85.66038	0.1
91.05399	8.2
92.05694	0.1
93.96038	0.1
97.02818	2.0
101.50002	0.1
107.04935	0.1
109.02847	0.1
112.11176	0.9
118.04036	0.1
119.04886	26.1
120.05218	0.5
121.02791	0.5
124.03825	0.1
127.03859	0.1
129.13828	0.3
130.06404	0.1
146.05977	0.1
146.16592	0.1
147.04375	100.0
148.04707	2.4
155.11765	0.2
162.05411	0.2
176.10663	0.2
193.05002	0.1
203.11740	3.7
204.10152	18.5
205.10524	0.5
217.04884	0.1
218.11745	1.7
238.03813	0.1
263.56512	0.4
274.19080	1.6
275.17453	0.5
282.03064	0.2
287.91870	0.1
292.20163	0.6
309.09698	0.1
366.15414	1.2
383.17871	0.1
421.21121	0.1
436.24304	1.8
437.22644	0.6
438.23773	0.2
454.25354	2.0
480.23294	0.3
502.83218	0.1
513.14917	0.2
582.27417	0.1
583.26465	0.4
600.29034	2.7
691.27264	0.3
744.33655	0.1
745.31757	0.4
762.34204	23.6
763.34357	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	765.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	0.2
65.03854	0.9
67.05437	0.2
69.03344	0.2
70.06512	1.3
72.08068	6.0
79.05410	1.4
81.06984	0.2
89.03822	0.2
89.10707	2.7
91.05405	11.4
95.04898	0.3
95.08524	0.4
98.05947	0.2
107.04916	2.5
115.08630	0.3
117.03326	0.7
119.04897	34.2
120.05264	0.2
123.04420	0.2
124.05164	0.3
125.05944	0.3
137.05975	0.3
145.02870	1.7
146.05968	0.4
147.04387	100.0
148.04715	2.9
160.05180	0.4
161.05984	0.2
162.05399	0.4
167.07007	4.3
175.07501	1.0
177.05463	1.5
189.06943	0.4
191.06926	0.2
201.05504	0.7
216.04086	0.3
218.11728	4.2
219.07930	0.4
224.10974	0.3
231.06436	4.2
235.14366	14.4
236.14732	0.3
242.12076	0.2
246.06680	0.3
247.07471	0.9
248.08244	0.4
249.09036	0.2
257.38654	0.2
260.08020	0.2
261.08929	0.3
263.06964	0.8
264.07791	1.0
275.07068	0.3
277.08588	0.3
279.10065	0.8
281.08057	0.2
292.07254	0.7
293.07950	0.9
295.09677	0.2
306.08905	0.2
307.09570	1.4
308.10233	0.2
309.07544	1.1
313.10730	0.9
323.09085	0.8
339.12256	4.7
353.10220	0.4
367.11673	5.5
368.12402	0.3
385.12723	0.4
407.18512	0.2
455.21204	1.7
456.25699	0.2
473.22528	0.7
601.25293	2.6
619.26367	8.2
620.26788	0.3
735.20044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60580	0.8
63.45301	0.8
65.03823	0.9
70.06502	6.2
72.08053	1.5
80.95018	0.8
84.63799	0.8
91.05405	14.9
119.04887	48.7
119.57100	0.9
120.08080	1.7
137.39474	0.9
147.04376	100.0
148.04723	1.7
167.06915	2.2
177.05350	2.1
191.06950	1.7
194.51199	1.0
218.07271	1.2
221.05988	1.4
232.05225	1.6
238.03542	1.0
246.06793	2.3
247.07460	1.9
260.04614	1.1
263.06854	1.6
264.07748	4.4
274.06171	1.8
275.07016	4.8
277.04886	2.2
288.04044	1.6
292.07126	7.6
298.41476	1.2
302.05807	2.3
303.06396	13.2
304.07056	1.7
305.04285	4.5
307.09625	2.3
320.06772	11.2
335.08994	26.6
336.09500	1.8
367.11630	48.6
368.11972	4.0
434.31638	1.0
444.60892	1.1
619.26221	1.3
635.41980	1.2
727.09882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59665	0.4
54.81656	0.5
55.05447	5.1
55.85201	0.4
56.04969	8.9
57.07008	4.0
58.06504	0.5
60.04452	100.0
67.05424	3.9
69.06989	5.0
70.05289	0.5
70.06487	1.2
70.62325	0.6
71.08536	2.5
72.04388	0.6
74.05984	3.1
79.05411	1.9
80.14056	0.5
81.06970	4.5
82.06483	0.9
83.08516	3.6
84.43309	0.5
85.10100	0.6
86.05966	1.0
86.09610	2.7
88.07542	2.8
90.05475	1.1
92.60357	0.5
92.75446	0.6
93.06951	2.1
95.08533	5.3
97.10079	2.0
104.10677	7.6
107.08491	0.6
109.10088	2.4
112.19073	0.5
121.10111	0.6
127.47558	0.5
148.65991	0.5
165.09059	2.2
166.09489	1.0
252.26755	0.8
254.28333	1.1
264.26697	2.5
265.24908	0.7
270.27948	6.9
282.27863	14.6
290.50702	0.5
300.28952	10.2
302.30331	3.8
318.29950	75.9
319.30359	4.8
385.29062	0.6
446.68817	0.6
542.31683	0.9
652.35077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36990	1.0
54.65289	1.0
56.96498	13.7
59.98902	0.9
62.03862	0.9
70.33233	0.9
71.97849	1.0
101.30070	1.0
102.92525	1.8
104.10683	4.7
119.26524	1.0
130.22166	1.1
150.94695	1.7
154.94160	7.3
168.95656	10.8
172.95206	33.0
184.07445	1.4
186.96753	91.6
190.96251	25.8
197.01196	1.8
204.97820	100.0
209.98361	5.0
210.96794	1.8
215.02245	4.4
222.98921	2.3
224.98300	1.6
227.99406	5.0
228.97856	9.0
240.76524	1.3
241.00185	2.1
242.99370	13.2
245.00945	1.7
266.00775	1.3
271.08548	2.2
297.06299	4.3
316.31931	2.1
316.97189	1.8
321.20850	2.4
328.75015	1.3
334.98373	5.0
337.20551	1.5
339.22034	18.7
340.28650	1.2
357.22708	2.3
391.04382	2.0
428.89471	1.2
429.09671	2.0
433.20071	5.2
440.79410	1.1
447.10858	9.8
457.20432	1.5
471.21570	2.1
473.26062	1.4
475.21298	27.9
476.21042	1.5
489.22809	34.6
490.23227	2.1
599.36084	2.1
735.35089	1.9
767.37402	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32265	0.8
56.96505	30.9
58.13271	0.9
71.95171	1.7
72.95953	1.5
74.08179	1.1
89.87867	0.9
92.10900	2.6
98.20656	1.0
108.38271	1.0
116.98611	2.3
134.99628	1.2
143.00165	2.3
155.57707	1.2
158.96269	1.1
161.01198	7.6
187.06293	1.0
205.07510	4.9
217.07446	1.5
223.08263	1.6
223.10124	1.6
239.09814	1.2
241.11072	47.6
257.10623	4.9
259.12122	100.0
260.12442	2.0
282.13757	2.5
323.18802	1.9
335.18781	6.5
351.18045	1.3
352.18723	1.6
353.19888	38.5
358.76440	1.1
369.19431	1.2
371.20993	55.0
372.21271	4.0
389.21991	4.6
394.22644	1.8
437.19290	7.9
453.16620	7.0
521.31549	1.2
526.22015	1.1
533.25281	1.2
766.38287	1.9
767.40253	42.5
768.40399	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	767.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68399	0.6
55.05450	17.2
57.03375	10.7
57.07011	10.0
57.79007	0.7
61.94043	0.6
62.62101	0.6
67.05429	14.2
69.06987	27.9
71.08540	3.6
79.05411	6.3
81.06978	14.5
83.08038	0.8
83.08535	19.9
84.63952	0.7
85.10112	0.9
92.54002	0.7
93.06970	11.1
95.08528	14.7
97.06462	3.3
97.10098	9.3
107.08545	4.7
108.09914	0.8
109.10097	8.9
111.08080	1.4
111.11666	2.9
115.80766	0.9
116.68624	0.7
121.10108	7.3
123.11654	1.2
125.09542	1.0
134.98155	48.3
135.11656	6.0
149.13249	1.7
152.99208	1.0
159.50177	0.9
191.94307	0.8
199.79509	0.7
200.13699	0.8
258.86502	0.7
265.25101	1.0
317.20898	7.6
335.20609	1.6
339.28815	18.3
340.90045	0.8
353.21558	0.9
361.27203	1.3
447.19485	1.0
473.26282	100.0
474.26416	5.5
718.08966	0.9
749.46283	1.3
758.50714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22538	1.7
69.03350	10.1
69.06983	8.2
71.04910	3.7
78.61436	2.2
81.03341	19.2
81.06972	4.2
85.02345	3.5
85.02828	60.3
95.08519	9.8
95.47905	1.9
97.02818	19.6
99.04397	51.4
103.03884	100.0
104.10712	2.6
105.06984	2.4
105.94741	2.0
107.08528	4.5
109.02820	12.9
109.10091	4.9
121.10081	3.6
121.29296	2.0
123.11621	3.0
127.03876	86.7
128.04228	2.5
134.64542	2.3
135.11678	3.3
145.04941	30.4
163.05992	25.1
189.97339	2.5
203.17876	3.1
257.62350	2.3
271.08023	4.2
289.09152	5.3
307.10223	4.9
425.37296	4.0
574.61060	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	772.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63978	0.4
58.06528	1.1
60.56116	0.5
69.03336	0.6
70.06497	3.4
72.08051	1.1
81.03326	0.6
82.06510	0.5
84.04424	0.8
84.08057	12.5
84.08522	0.7
85.02815	0.8
89.03849	2.0
91.05405	15.8
96.08060	0.8
97.02817	1.9
98.09623	15.0
99.09937	0.5
100.07555	11.6
106.02869	1.9
107.04886	3.9
109.02866	0.8
110.07111	0.7
110.09611	3.7
112.11189	14.2
113.07073	6.6
117.03340	4.6
119.04897	40.5
120.05685	34.3
121.06087	0.5
124.03893	3.9
127.03870	0.5
129.13850	4.7
132.05341	0.6
133.02878	0.5
135.04411	2.8
145.02840	7.8
146.03612	7.4
146.06001	2.0
147.04434	3.7
147.06306	0.6
153.10196	0.7
155.11765	30.8
162.05458	5.0
163.03862	4.8
169.13373	0.7
171.04474	0.7
171.14885	0.8
172.14415	0.6
175.03932	2.0
177.05411	0.7
191.08510	1.0
194.07245	0.7
195.08032	1.1
206.37622	0.5
207.06543	2.2
212.17520	3.6
214.19183	3.3
219.08067	1.9
223.07631	2.5
225.09076	0.8
229.20183	10.8
237.09106	1.0
247.07503	1.1
248.07864	0.5
249.25055	0.5
251.06956	17.5
253.08537	3.2
265.08527	41.2
266.08966	2.1
268.08093	1.8
269.07980	3.8
291.06378	0.6
322.14398	5.0
348.12347	0.7
348.16043	2.1
351.17371	0.5
366.17203	0.6
387.90887	0.5
404.23096	0.5
419.19534	2.7
439.10999	0.6
450.23990	1.0
464.25549	3.5
476.25519	2.4
493.27988	100.0
494.28555	8.4
772.37244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85718	0.2
57.41096	0.2
58.06524	0.2
65.03850	0.9
69.03342	0.8
69.69938	0.2
70.06496	1.0
72.08070	7.4
80.47341	0.2
81.03350	1.3
84.08055	1.0
85.02801	0.3
89.03807	0.2
91.05402	11.0
92.05766	0.2
97.02812	1.1
105.06944	0.2
106.02866	0.8
107.04882	0.3
107.14994	0.2
109.02827	2.0
112.11176	1.8
117.08339	0.2
119.04895	30.4
120.05231	0.4
124.03908	2.9
126.87282	0.2
127.03851	0.8
128.04858	0.3
129.13826	0.4
132.04375	0.4
137.06032	0.2
145.02843	0.4
146.05986	29.4
146.16524	0.2
147.04387	100.0
148.04736	2.0
155.11749	0.4
161.09561	0.2
162.05457	6.2
163.05870	0.2
174.05458	3.2
175.03893	0.3
176.10704	0.9
177.05431	1.0
190.04979	0.3
192.06569	0.9
200.37537	0.2
203.11765	3.3
204.10165	17.8
205.10580	0.3
207.06511	0.7
208.06070	0.3
211.07555	0.3
218.11684	1.7
221.12729	0.3
228.77135	0.2
268.08145	0.4
274.19055	2.1
275.17551	1.5
282.02759	0.3
292.20142	3.7
437.57947	0.2
438.23792	2.6
601.16614	0.4
627.29852	2.1
670.94812	0.2
756.31598	0.4
773.33746	27.2
774.33740	2.4
797.32043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01329	0.4
55.01795	0.5
57.03368	1.0
64.76392	0.5
69.03349	6.7
69.71567	0.5
72.01564	0.5
81.03316	3.1
85.02819	7.3
87.04357	0.7
92.10829	0.8
95.04878	2.4
96.19820	0.6
97.02805	8.7
98.04448	0.5
109.02779	1.1
111.04360	0.9
115.03902	0.9
115.88226	0.6
121.02814	100.0
122.03094	2.2
127.03861	2.7
133.04898	1.0
139.03883	9.1
145.04941	0.9
214.00174	0.6
265.06964	4.4
283.08041	15.1
292.05389	0.5
301.09067	1.2
341.58704	0.6
445.13391	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	774.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01795	0.5
57.03352	0.7
65.03876	0.4
66.41730	0.4
69.03357	7.1
73.61711	0.4
81.03329	4.3
85.02828	9.0
87.04384	0.8
92.10312	0.7
95.04926	3.4
97.02834	7.9
99.04414	1.8
109.02814	2.0
111.04411	0.5
115.03860	0.6
121.02829	100.0
122.03162	2.9
127.03919	3.1
139.03900	9.2
145.04941	1.1
162.27452	0.5
180.08751	1.0
265.06989	4.3
283.08093	14.3
301.09073	1.0
424.17197	0.5
445.13306	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	774.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06959	0.3
59.06044	0.6
60.05571	0.4
60.07821	0.6
60.08096	8.5
60.77490	0.4
63.84068	0.3
68.00695	0.4
68.06860	0.3
71.07277	3.7
74.84437	0.4
76.56570	0.5
80.38120	0.4
81.75950	0.5
86.09626	48.1
91.05705	2.1
98.98402	3.6
104.10692	3.0
124.99954	36.8
140.31586	0.4
143.01028	0.6
167.05528	1.9
173.80557	0.4
176.38780	0.4
176.44521	0.4
184.07300	100.0
185.07600	0.9
225.04222	0.8
239.09396	0.9
299.05850	0.5
329.48688	0.5
352.12363	0.6
564.97992	0.5
570.34064	0.4
756.55249	10.1
774.44281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06042	1.1
60.05568	2.1
60.08092	11.1
71.07284	5.2
86.09625	55.5
91.05715	1.8
98.98382	4.5
104.10669	3.5
124.99957	37.3
133.19911	0.5
143.01051	0.8
167.05461	0.8
184.07301	100.0
185.07657	1.1
213.22519	0.6
225.04167	0.7
239.09248	0.6
291.65335	0.6
568.48309	0.5
756.54480	1.8
774.56305	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	774.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06045	1.6
60.05578	4.8
60.08096	12.3
60.15000	1.0
63.67796	0.8
67.27863	0.9
69.06994	1.1
71.07285	4.9
80.04170	1.0
81.06983	0.9
86.09626	49.6
91.05707	4.4
95.08569	1.1
98.98403	5.1
104.10654	3.7
124.99953	34.3
133.26804	0.8
167.05482	1.7
171.89191	0.8
184.07294	100.0
225.04295	1.7
227.59740	1.0
239.09372	1.6
286.31265	1.1
774.56726	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	774.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	5.3
57.03917	2.1
57.07013	55.1
59.06037	2.8
60.05573	5.9
62.38076	2.4
63.75433	2.1
67.05430	3.3
67.75758	2.2
69.06975	10.7
71.08247	2.5
71.08551	41.5
73.06467	11.3
77.76692	2.2
81.06975	2.7
85.10100	20.5
86.09606	3.3
87.04386	9.9
87.27551	2.3
89.05952	100.0
91.05710	4.0
97.10107	3.0
117.09095	2.9
121.27137	2.2
133.08586	41.1
138.29686	2.3
147.89473	2.6
177.11156	22.5
185.33250	2.7
185.99733	2.5
270.83859	2.4
299.29269	4.8
327.20096	3.1
343.31989	3.6
547.52002	2.9
612.51123	2.9
651.58130	2.9
742.10480	3.4
757.56091	5.9
774.58942	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	776.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81499	0.2
56.04966	0.3
58.45150	0.2
59.27507	0.2
60.26340	0.2
64.27427	0.2
69.03345	1.0
69.03719	0.2
70.06502	3.7
72.08073	3.8
81.03339	2.6
84.04427	0.6
84.08069	0.5
85.02833	0.4
86.09610	0.3
89.03831	6.8
89.10709	2.0
91.05407	1.4
92.10381	1.1
97.02803	1.1
98.05933	0.3
103.05412	0.3
109.02828	5.0
110.07118	0.4
115.08598	0.4
116.64242	0.2
117.03326	24.3
118.03631	0.5
118.06470	0.3
118.99369	0.2
119.04894	0.5
124.03918	0.5
127.03866	1.3
128.04944	2.2
129.05565	0.3
132.04385	1.9
134.03580	1.4
135.04404	2.4
145.02820	75.7
146.03108	1.8
146.05983	100.0
147.04378	1.6
147.06322	2.9
149.05954	9.2
158.05916	0.4
162.05476	2.7
163.03864	0.5
169.18829	0.2
174.05469	8.1
177.05428	98.4
178.05745	3.4
186.05461	1.8
192.06468	3.3
207.06543	0.5
239.06735	0.2
246.07483	0.4
247.14186	0.4
248.12769	4.1
248.15244	0.4
265.15396	21.1
266.15640	1.0
273.22525	0.2
276.81900	0.2
291.13327	4.0
318.09583	0.5
330.59088	0.3
336.10629	0.4
401.90311	0.3
441.20123	27.3
442.20450	2.3
517.12378	0.3
600.25287	3.2
601.25220	0.4
776.27875	0.5
805.58789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03387	0.3
63.22566	0.3
65.03838	0.6
66.00387	0.3
69.03337	0.9
70.06487	1.9
72.03702	0.3
72.08067	7.1
75.49579	0.3
79.05377	0.4
81.03336	3.0
83.04905	0.5
84.04410	0.6
84.08038	0.7
84.95920	0.4
85.02815	1.7
86.09617	0.4
89.03813	1.5
91.05402	12.3
92.05728	0.5
92.10920	0.9
93.73772	0.4
97.02812	0.9
107.04905	0.7
109.02824	2.4
112.11150	0.7
117.03321	4.4
119.04895	28.0
124.03968	1.2
127.03843	0.5
129.10205	0.7
133.60223	0.4
145.02815	16.6
146.05984	10.5
146.07059	0.5
147.04387	100.0
148.04744	4.6
149.05952	1.3
150.05367	0.4
155.11784	0.6
162.05453	10.1
163.05807	0.6
174.05460	0.6
175.03944	0.6
176.10675	0.4
177.05434	20.4
178.05894	0.3
187.69225	0.3
190.04994	1.7
203.11777	5.3
204.10164	19.6
205.10541	0.6
207.06485	0.7
218.11783	1.6
221.12842	0.4
234.43790	0.4
274.19000	1.5
275.17477	1.5
282.02933	1.4
292.20209	2.8
321.09821	0.5
338.84567	0.5
438.23865	1.4
484.53131	0.4
573.29285	0.4
587.17310	0.4
630.30469	1.6
638.22455	0.4
759.31158	0.5
775.34216	1.6
776.33746	26.9
777.33954	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71747	0.4
59.95155	0.4
69.03325	0.8
69.06974	0.4
69.75437	0.5
70.06499	1.9
72.07735	0.6
72.08073	13.2
81.03342	4.2
84.08067	0.8
85.02821	1.0
89.03867	0.5
91.05407	9.3
97.02818	1.1
107.04903	0.6
109.02832	3.3
112.11147	0.8
117.03310	2.8
119.04897	27.9
119.08365	0.4
124.03918	0.9
127.03889	1.0
138.73398	0.5
145.02826	14.3
146.05995	24.6
147.04393	100.0
148.04753	2.8
149.05925	1.0
155.11784	0.8
162.05476	17.2
174.05481	2.5
175.03917	0.9
176.10655	0.5
177.03873	0.9
177.05443	23.8
178.05865	0.8
190.04977	1.0
190.75914	0.5
192.06525	2.0
203.11731	4.7
204.10172	28.7
205.10556	0.9
207.06493	2.3
208.06169	0.7
218.11720	0.9
234.11310	2.0
248.93912	0.5
254.08055	0.6
265.12494	0.6
266.03275	0.8
267.70291	0.5
274.18976	0.8
275.17413	1.1
282.02988	0.7
283.13315	2.5
292.20276	1.1
300.08542	0.8
301.14230	0.8
309.11163	0.7
321.09668	0.7
438.23563	1.0
491.29538	0.8
542.20135	0.6
559.22778	0.5
630.30072	9.0
631.29962	0.6
633.39996	1.1
717.45728	4.9
776.33862	28.1
777.33923	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	777.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82837	0.3
69.03342	3.2
70.06500	2.5
72.08061	7.5
81.03324	5.8
84.04375	0.6
84.08080	0.8
85.02821	2.3
91.05396	6.7
97.02802	2.0
103.05431	0.5
106.02837	0.6
107.04893	0.5
109.02830	9.9
110.02994	0.5
110.07100	0.8
112.11243	0.5
117.03311	3.4
118.06470	0.8
119.04888	14.9
120.05243	1.9
120.79110	0.5
121.02795	0.7
124.03921	1.1
127.03884	3.9
128.04915	2.2
130.06447	0.5
132.04419	2.5
133.89148	0.5
134.05989	0.7
144.04305	0.8
145.02838	11.2
146.05988	100.0
147.04382	52.1
147.06323	3.0
148.04735	7.8
162.05467	55.6
163.05792	1.9
174.05446	10.1
175.03893	0.6
177.05437	14.6
178.05829	2.7
188.07066	0.6
190.04984	6.9
192.06519	5.7
203.11748	1.7
204.10161	12.9
204.12000	0.8
205.10509	3.2
207.06451	0.7
208.06064	2.9
218.11865	0.5
225.73352	0.5
234.11227	2.0
246.07600	0.7
254.08005	1.2
274.18814	0.7
275.17340	0.6
282.02768	1.1
292.20319	0.7
300.08670	2.8
316.08044	2.6
318.09741	2.4
334.09210	0.8
336.10776	2.3
352.10141	1.9
381.50281	0.5
439.18204	0.6
516.38025	0.6
582.25293	0.5
630.29901	2.9
631.30292	2.5
776.33887	6.2
777.21326	0.7
777.34039	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	777.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	0.5
55.05436	0.4
57.03389	0.5
64.13493	0.4
65.37581	0.3
67.33533	0.3
69.03350	2.4
70.06506	1.0
72.08067	0.8
73.06467	0.5
81.03333	6.4
84.77980	0.4
85.02824	2.4
86.09606	0.5
91.05415	1.7
93.06991	0.6
96.69672	0.5
97.02825	2.6
99.04398	0.9
109.02831	11.3
119.04888	2.4
124.03914	0.6
127.03876	4.8
128.04933	1.9
132.04456	1.9
134.05966	1.0
144.04462	0.8
145.02826	1.7
146.05992	100.0
147.04420	5.1
147.06319	3.3
162.05475	62.2
163.05841	2.3
174.05450	10.1
175.03877	0.7
177.05429	2.3
188.07074	0.5
190.04962	6.5
192.06534	7.2
208.06012	3.5
217.18405	0.5
254.08028	2.4
270.07693	0.8
283.13419	1.0
300.08640	3.6
316.08072	4.1
318.09625	2.9
334.09167	1.9
336.10757	2.2
352.10275	2.8
376.88336	0.5
406.14774	0.6
439.18338	0.6
601.03412	0.6
717.45569	3.1
776.34711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96499	0.5
60.85898	0.3
64.57117	0.3
70.06522	0.4
72.08062	2.1
80.08301	0.3
81.03332	0.7
91.05412	0.8
100.11234	0.5
109.02860	1.5
117.03356	0.7
119.04860	3.4
120.05234	0.8
127.03882	1.3
145.02837	1.5
145.90506	0.3
146.05984	16.5
147.04398	9.9
147.06303	0.6
148.04756	3.0
159.03273	0.8
162.05469	11.7
163.05841	0.7
174.05525	2.0
177.05444	2.4
178.05841	0.5
184.02808	5.4
187.02777	1.5
190.04950	0.6
192.06638	0.5
197.05991	0.8
202.03867	4.8
204.10190	2.4
205.10568	1.3
209.06195	0.5
215.06970	1.3
217.08548	3.8
227.07173	0.4
235.09676	2.2
238.11057	0.5
241.12277	0.4
245.08063	0.5
247.11168	1.4
248.09488	0.6
254.10638	0.4
256.12186	0.5
261.09137	0.4
263.10739	1.2
264.13919	0.7
265.12146	8.6
265.14554	0.5
266.07852	0.6
266.10526	6.6
267.13858	0.4
279.10181	2.1
281.11789	1.4
282.14957	1.5
283.13223	37.1
284.11450	7.9
291.10208	2.3
293.11752	0.5
295.18106	0.4
297.11191	0.5
301.14276	12.7
302.12790	1.4
306.14832	0.8
308.12885	1.4
309.11139	18.2
309.14639	0.6
311.12762	0.7
323.17737	0.4
326.13928	1.6
327.12152	6.2
331.16791	0.5
332.12741	0.6
341.18503	3.0
343.20804	0.4
346.21719	0.5
349.18027	3.7
359.19714	0.5
360.19492	0.6
363.24207	0.4
364.22690	1.5
374.17276	0.4
375.16083	0.7
377.22253	1.9
381.25238	14.8
389.22107	4.1
393.16895	0.7
407.23154	9.4
408.22150	0.8
425.24200	10.5
426.24738	0.7
433.20944	0.5
447.29773	1.2
451.22131	4.5
455.27191	0.5
473.27725	5.0
491.28900	16.0
492.29291	0.6
499.26248	1.5
517.26868	10.3
549.34277	0.8
557.33655	0.4
607.41956	0.5
615.39215	0.6
631.30133	0.5
633.40002	21.8
634.39917	1.9
679.51678	0.4
699.44720	4.0
717.45715	100.0
718.46033	9.0
751.03003	0.4
776.33801	0.4
777.33954	2.8
777.46796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	0.9
55.05450	22.3
57.03147	0.8
57.03377	14.7
57.07008	4.6
62.32967	0.6
62.58804	0.6
63.80385	0.7
65.03841	1.1
67.05427	44.9
68.05733	0.7
69.06988	29.3
71.04893	0.9
71.08544	3.9
73.68555	0.6
79.05407	13.6
81.03357	1.4
81.06973	47.5
82.07297	0.7
83.04879	1.5
83.08546	16.1
84.69321	0.6
91.05415	9.9
93.06969	13.2
95.04870	1.5
95.08532	35.4
97.06442	3.1
97.10089	8.5
99.08008	3.3
105.06964	6.6
107.08523	6.6
109.06443	0.8
109.10109	13.6
111.08038	1.1
112.99188	1.6
112.99962	41.7
119.08520	6.2
121.10129	6.8
123.11667	5.1
125.09583	2.9
133.10075	5.0
135.11633	3.5
137.13239	1.5
147.11652	3.4
149.13258	1.6
151.11160	3.0
161.13248	1.2
169.02583	18.0
175.14809	0.8
179.14258	1.1
187.03534	1.0
189.11223	0.8
206.81042	0.7
229.07088	0.7
245.22600	0.9
253.57085	0.7
260.43460	0.9
263.23611	4.0
277.21603	10.8
295.22693	6.5
337.27295	100.0
338.27518	5.2
636.83063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54186	0.3
57.05375	0.3
63.02312	0.4
65.03868	1.0
69.03330	0.5
70.06516	3.7
72.08068	5.4
74.07519	0.4
81.03340	3.6
84.04390	0.4
84.08054	0.5
85.02817	0.8
86.09615	0.5
89.03835	6.4
89.10245	0.4
89.10705	3.5
91.05405	16.1
92.10840	0.8
97.02803	0.6
98.05992	0.4
103.05422	0.5
106.02834	0.5
109.02830	1.9
115.08682	0.5
117.03328	31.6
119.04896	31.3
120.05220	0.4
124.04022	0.5
124.05139	0.5
132.02061	0.5
134.03590	1.9
135.04398	3.5
145.02826	82.3
146.03128	2.1
146.05949	4.2
146.29222	0.4
147.04390	63.6
148.04744	0.9
149.05975	11.5
157.03932	0.8
162.05435	4.1
163.03821	0.8
174.05447	0.5
175.03873	36.6
176.04216	0.5
177.05434	100.0
178.05762	2.9
179.06964	2.2
186.05438	0.9
192.04135	0.6
207.06491	50.2
208.06889	1.8
218.11757	3.4
231.91292	0.4
235.14371	12.4
248.12708	2.6
261.12289	0.9
265.15408	13.9
291.13333	1.6
295.69498	0.4
351.10614	2.5
369.11649	2.9
411.19046	26.5
412.19318	0.8
441.19815	1.9
573.24432	0.5
633.16522	0.5
633.26270	10.7
634.25977	0.5
779.28918	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54541	0.2
63.02298	0.3
69.03361	0.2
70.06505	0.2
72.08059	1.9
78.04618	0.3
81.03322	1.6
84.04336	0.2
85.02814	0.3
89.03828	7.5
89.10719	1.3
91.05399	0.8
103.05376	0.2
106.04135	0.3
109.02795	0.4
117.03320	31.1
118.03629	0.3
119.04893	0.8
134.03603	2.2
135.04373	2.4
145.02815	85.8
146.03136	2.1
146.05954	0.9
149.05943	11.6
162.05492	0.7
163.03836	1.0
177.05423	100.0
178.05760	2.5
186.05460	1.3
195.06520	0.2
200.98521	0.2
219.35341	0.2
247.14305	0.3
248.12756	2.8
265.15375	12.6
266.15881	0.2
291.13370	2.1
321.09433	1.2
339.10556	1.2
374.65247	0.2
441.20078	14.7
442.20279	0.4
473.87167	0.2
603.25232	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	780.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96510	1.4
69.03376	1.6
70.06497	8.3
76.55557	1.0
81.03360	5.7
84.08083	2.3
85.02824	2.5
86.09642	1.4
91.05441	1.6
92.10920	4.9
97.02860	4.7
100.11191	3.0
105.41486	1.2
106.02860	1.7
109.02885	5.5
117.03344	1.5
119.04917	2.5
121.02908	1.4
124.03940	2.2
127.37195	1.0
132.38664	1.1
134.05917	1.3
145.02887	5.9
146.05992	32.1
147.04436	5.4
147.06389	1.8
159.08086	1.1
162.05469	35.1
163.05873	1.5
174.05556	4.9
175.03957	1.3
177.05441	9.2
182.19131	2.9
184.02803	10.8
187.02780	2.7
190.05089	1.8
197.06013	1.2
202.03940	9.2
207.06493	4.0
210.14944	1.4
215.07095	1.7
217.08714	6.3
235.09648	2.8
245.11662	1.5
247.11185	1.8
265.12204	13.3
266.10583	10.5
268.08301	1.5
279.10287	2.6
281.11880	2.5
282.14911	1.7
283.13214	63.3
284.11356	10.6
291.10159	5.4
295.18085	1.5
300.15701	1.2
301.14355	24.2
301.16879	1.3
309.11191	31.1
326.14017	2.5
327.08472	1.9
327.12122	14.5
331.16968	2.4
341.18729	2.6
349.18369	4.7
381.25339	19.5
381.28891	1.2
389.22406	6.8
393.17178	1.7
407.23315	12.5
408.23395	1.6
425.24319	15.2
426.24261	1.5
451.22177	8.7
473.28107	6.6
481.72641	1.3
491.29037	25.8
492.29050	1.6
499.26480	1.8
517.26819	15.0
536.68005	1.3
615.38983	2.0
633.40106	30.0
634.40222	2.3
699.44458	4.6
717.45782	40.6
718.45941	6.2
719.46478	2.4
720.47455	5.2
779.59210	2.3
780.45343	100.0
780.59155	4.5
781.45642	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03359	0.7
69.03344	3.2
70.06493	1.8
70.06852	0.3
70.90498	0.4
71.01278	0.4
71.04890	0.5
72.08042	0.6
78.03352	3.6
80.04910	0.5
81.03340	10.1
83.04933	0.3
84.08064	0.4
85.02812	3.6
89.03821	0.4
91.05389	1.4
92.10358	0.4
96.04425	2.9
97.02834	3.2
97.20715	0.3
99.04385	1.6
105.06957	0.4
106.02858	18.5
109.02825	8.3
117.03323	1.5
119.04903	1.6
124.03911	42.1
127.03860	3.7
133.06415	0.5
134.05974	3.4
144.04413	0.9
145.02829	4.6
146.05977	6.4
147.04411	3.2
147.06306	0.7
148.03873	0.8
154.39938	0.4
161.05930	0.9
162.05470	100.0
162.57695	0.4
163.03854	0.5
163.05809	3.7
174.05501	0.7
177.05406	5.4
186.05449	0.7
190.04970	10.0
197.83948	0.4
204.06412	0.7
207.06499	0.6
208.06017	2.5
250.07043	2.7
262.06924	0.5
268.08124	16.7
269.08524	0.5
270.07477	0.5
282.02881	0.6
316.08191	1.8
334.09192	1.6
352.10147	0.6
429.12778	3.6
451.60828	0.4
457.12399	0.8
475.13324	2.2
583.15277	1.8
601.16583	12.5
602.16370	1.7
619.17584	12.5
620.17938	0.8
648.00378	0.4
696.55707	0.4
781.26636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81861	0.4
55.98576	0.5
56.47431	0.5
63.80724	0.4
65.25347	0.5
66.93203	0.4
69.03354	3.8
70.06504	2.3
71.04913	0.7
72.08067	1.1
78.03364	5.3
80.04890	0.5
81.03336	10.8
84.04490	0.5
85.02840	5.3
86.09568	0.5
89.03815	0.7
91.05396	1.9
96.04400	3.9
97.02843	3.9
99.04382	0.8
106.02861	26.7
107.04873	0.7
109.02834	10.3
116.04980	0.5
117.03342	2.0
119.04918	1.0
124.03913	49.5
125.04287	0.7
127.03867	4.8
134.05989	4.6
144.04396	1.1
145.02853	4.3
146.05991	10.5
147.04376	2.3
147.06316	2.3
148.03862	0.9
162.05472	100.0
163.05829	3.9
174.05486	1.0
175.03914	1.0
176.06885	0.5
177.05460	5.3
181.04918	0.9
190.04941	8.6
192.06538	0.6
204.06555	0.9
207.06461	0.7
207.30338	0.6
208.06001	3.1
219.84105	0.5
250.07101	2.5
254.03389	0.5
268.08093	18.2
269.08218	0.6
282.02847	1.0
311.17374	0.5
360.09521	0.5
429.13016	5.6
439.18329	1.0
457.12045	1.2
475.13184	2.1
561.45428	0.5
583.15308	2.2
601.07562	0.9
601.16510	18.5
602.17139	0.9
619.17670	14.6
620.17621	0.8
763.25470	0.8
781.25311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59754	0.8
67.01479	1.1
67.01792	20.5
69.03342	2.1
69.07015	0.8
69.48430	0.7
70.06510	4.4
71.04890	1.9
72.08056	0.9
79.05407	0.9
81.03331	8.9
84.04415	0.9
85.02824	3.3
89.03834	5.7
91.05412	1.9
92.10186	0.8
97.02822	2.0
99.04378	5.3
101.08954	0.7
107.04903	3.8
109.02831	11.8
116.72439	0.9
117.03312	14.7
119.04840	1.2
124.03906	0.9
127.02930	1.9
127.03876	54.2
135.04379	19.8
145.02817	33.1
146.05962	15.3
147.04382	2.0
149.05998	3.3
151.10989	1.2
160.07513	0.8
162.05452	13.0
163.03864	100.0
164.04269	1.2
174.05482	1.3
175.03888	1.0
177.05443	25.7
178.05730	1.1
190.04915	1.2
192.06569	1.2
207.06546	1.7
243.42119	0.9
256.45532	0.9
266.03314	1.8
268.53275	0.9
282.02847	3.0
289.06894	12.2
322.14325	0.8
501.13788	14.8
767.21527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	0.7
61.78257	0.4
65.03854	0.5
66.29874	0.5
67.06583	0.4
70.06503	5.3
72.08070	6.4
72.77088	0.5
79.05389	0.7
81.03329	0.6
84.08060	0.9
86.09617	0.8
89.03857	5.9
91.05402	14.4
95.04852	0.7
98.05963	0.7
103.05442	1.0
104.06199	0.6
107.04884	1.1
110.07114	0.6
117.03327	18.6
118.04076	0.5
119.04893	35.5
120.08084	0.6
121.06442	1.2
128.06168	0.6
130.06511	0.6
131.04884	6.0
132.05650	4.2
134.03589	2.2
135.04416	1.2
137.05974	0.6
143.04974	0.8
145.02821	32.9
146.06007	0.7
147.04385	100.0
148.04836	2.8
149.05980	9.2
157.06450	0.9
159.04480	0.6
160.05167	2.0
161.05959	0.6
162.05437	1.0
167.06999	1.0
173.06001	2.6
173.20923	0.6
175.03860	8.5
177.05426	22.7
177.06915	1.1
178.05881	0.9
179.07021	1.0
184.07344	0.6
191.06952	2.8
192.07826	1.2
201.05362	0.7
207.06509	2.5
209.08093	0.8
213.05432	6.7
213.12695	0.7
216.10130	0.6
217.10954	0.7
231.13765	0.6
236.08209	0.9
246.11201	1.1
261.12292	0.8
263.13892	3.5
264.07797	0.6
307.09378	0.8
323.09085	1.0
327.77402	0.5
335.08957	6.6
367.11652	8.7
409.17395	3.2
410.18234	0.7
411.18945	2.0
433.24451	0.6
455.21432	2.8
517.68280	0.7
601.25403	0.6
619.26489	0.8
688.79846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	1.0
56.12995	0.6
62.64830	0.6
64.33320	0.6
66.02782	0.5
70.06506	8.5
72.08065	7.4
77.07531	0.7
81.03347	1.1
84.08060	1.1
86.09639	1.7
89.03835	5.2
89.10683	0.8
91.05409	16.4
93.07005	0.7
103.05444	1.4
107.04874	0.9
114.59866	0.6
117.03329	17.3
119.04899	37.3
121.06482	1.4
128.06204	0.7
130.06465	1.1
131.04877	5.9
132.05659	5.3
133.06415	1.1
135.04370	2.6
137.05966	0.9
145.02826	33.8
146.05960	1.4
147.04388	100.0
148.04803	1.5
149.05957	9.1
157.79141	0.7
160.05145	1.0
161.05962	1.1
162.05470	3.0
163.03952	0.6
167.06984	1.3
173.05928	1.2
175.03877	9.4
177.05435	26.7
178.05940	0.8
191.07011	1.7
192.07870	1.7
207.06445	1.6
209.08051	1.1
211.07521	0.7
213.05461	8.2
213.12753	1.6
217.10748	0.8
218.11644	0.9
228.69255	0.7
235.14265	0.9
246.06674	0.9
246.11217	0.8
261.12210	0.9
263.13803	3.7
265.15460	0.8
272.52747	0.7
289.12085	0.8
307.09500	1.0
335.09073	9.3
367.11639	9.5
409.17456	2.6
411.18839	2.5
455.21472	1.4
619.25818	1.1
637.26660	0.9
742.08295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82578	0.6
56.45099	0.6
56.96503	10.7
64.34193	0.6
67.05432	0.5
77.84282	0.7
89.23484	0.6
102.92565	0.8
120.93583	0.8
146.99561	0.7
150.94760	1.0
154.94147	4.5
155.19527	0.6
165.00591	0.8
168.95726	4.4
172.95200	22.5
186.96754	60.8
190.96254	28.2
204.97830	100.0
209.98367	4.4
210.96770	2.5
216.97830	0.8
222.98911	4.3
224.98314	3.6
226.99937	1.3
227.99374	3.6
228.97795	13.7
233.30742	0.7
242.99348	15.2
245.00931	3.3
246.98824	4.3
261.00485	3.7
275.79672	0.7
319.19269	12.2
319.22275	0.8
335.18924	3.8
337.20425	45.2
338.20712	2.8
341.99350	0.7
355.21359	3.1
360.22055	2.7
375.21909	1.2
413.17563	3.6
427.19186	1.6
431.18561	3.0
455.18607	3.5
469.19983	4.5
473.19693	39.7
474.20035	1.5
487.21240	74.6
488.21420	4.2
496.21558	1.0
539.18542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	6.3
56.04960	0.7
57.03365	3.3
60.08092	12.0
67.05130	0.7
67.05429	13.5
69.06986	9.4
71.07297	4.5
79.05412	4.0
81.06967	11.8
83.08528	3.9
86.09624	50.9
87.09951	4.1
91.05383	3.4
93.06953	3.8
93.13363	0.6
95.08527	9.8
97.10099	1.1
98.98381	5.2
104.10651	4.4
105.06971	1.2
107.08537	0.9
109.10120	4.3
119.08469	1.2
121.10098	0.8
123.11634	1.1
124.99958	37.9
126.00301	1.2
132.87120	0.6
134.98141	24.8
143.01016	1.2
182.08942	0.8
184.07300	100.0
185.07658	7.4
196.62292	0.6
209.01833	0.7
252.94382	0.6
322.09308	0.6
335.21884	7.5
337.27289	7.9
359.25330	2.8
386.30203	6.9
403.95386	0.6
420.28571	13.1
447.21024	1.4
471.24722	58.5
472.24875	3.6
705.31696	0.8
707.27045	0.8
782.56293	1.4
783.56775	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	783.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	14.9
57.03369	9.2
57.07001	1.7
63.38365	0.5
67.05426	27.0
69.06988	17.5
71.08545	1.1
72.77668	0.6
73.07552	0.6
79.05403	7.1
81.06968	30.3
81.07448	1.0
83.04852	0.7
83.08533	9.2
91.05412	4.7
92.42897	0.7
93.06958	8.4
95.08527	22.9
97.06483	1.2
97.10098	3.5
105.06983	3.4
107.08524	3.7
109.10114	7.9
116.21778	0.7
119.08534	3.5
121.10094	3.7
123.11654	2.9
125.11073	0.7
133.10078	3.9
134.98143	49.4
135.11624	1.1
137.13184	0.8
147.11699	1.1
152.99220	1.7
172.95210	1.5
186.96765	3.4
190.96223	1.4
204.97807	3.8
209.01877	1.2
213.86182	0.8
240.99771	0.8
247.22525	0.7
280.91754	0.7
335.21869	14.7
336.22311	0.9
337.20697	1.5
337.27325	16.3
338.27557	1.1
353.21884	1.7
359.25461	4.7
367.48645	0.7
471.24698	100.0
472.25198	7.8
473.19757	1.0
487.21286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81402	0.6
55.05190	0.9
55.05451	21.8
57.03376	12.6
57.07015	10.8
60.04670	0.5
67.05430	16.2
69.06989	29.4
71.08538	4.6
76.62041	0.6
79.05417	8.2
81.06972	15.7
83.08540	21.7
85.06421	1.1
85.10089	1.7
86.09616	3.1
88.02175	0.6
90.75701	0.7
91.05417	0.9
93.06982	10.4
95.08540	16.6
95.09135	0.8
97.06458	3.8
97.10098	10.2
107.08550	7.6
109.10115	7.0
111.08007	0.8
111.11648	2.7
121.10101	10.4
123.11644	1.1
124.99904	0.7
125.09610	0.8
134.98157	58.0
135.11674	6.8
149.13239	4.0
152.99203	2.9
153.12637	0.7
176.00836	0.8
184.07227	5.2
191.80208	0.6
195.92676	0.7
209.01791	1.4
255.95267	0.7
265.25266	0.7
278.21017	0.7
304.43420	0.6
335.21887	16.3
339.28891	21.5
361.27142	1.5
410.33685	0.7
447.20914	4.3
473.26309	100.0
474.26654	7.8
554.60413	0.7
785.48956	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	786.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01827	0.3
56.96505	1.1
62.64774	0.2
65.03863	6.7
67.05440	0.3
68.63960	0.3
81.06964	0.4
85.13354	0.3
91.05380	0.4
93.03300	0.3
95.04893	1.5
103.12042	0.3
105.13731	0.3
111.04379	0.5
121.02826	3.0
128.73265	0.3
131.04955	0.4
136.01521	0.3
139.03883	4.9
147.04385	1.8
149.02327	100.0
149.03410	6.8
150.02608	2.4
151.11156	1.9
154.94130	0.6
168.95747	0.5
172.95183	2.6
175.03903	1.8
177.05452	0.5
184.07365	0.6
186.96751	4.9
190.96277	2.3
191.07008	1.2
193.04936	65.0
194.05260	1.7
204.97841	11.6
209.98283	0.4
219.06401	1.0
225.05473	0.3
228.97743	1.8
237.07533	0.6
242.99339	1.8
293.20944	0.7
297.03735	0.6
313.06833	0.6
339.21951	1.8
341.06363	3.1
359.07315	1.8
366.23981	0.4
385.09116	4.3
437.52005	0.3
475.21146	1.7
476.21631	0.4
489.22803	3.5
490.22766	1.3
666.45483	0.3
769.17499	19.4
770.17407	2.2
817.06091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27120	0.6
65.03857	6.5
70.06524	0.6
86.09563	0.7
121.02814	1.7
136.24525	0.6
139.03894	3.9
149.02327	100.0
149.03392	6.2
150.02644	1.6
193.04936	79.2
231.92136	0.7
237.07527	19.6
239.95628	0.7
313.07214	0.9
341.06427	4.0
359.07684	1.3
385.09152	9.2
429.11700	1.6
577.13232	7.2
609.06537	0.8
621.15448	4.0
662.81061	0.7
769.16711	4.2
787.50610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60589	0.2
61.46782	0.2
64.24415	0.2
70.06500	0.6
72.08066	5.9
81.50137	0.2
84.08019	0.3
89.03817	1.9
89.10711	3.9
97.02790	0.4
98.05967	0.4
103.52855	0.3
115.08648	1.1
117.03323	7.8
134.03535	0.3
135.04355	0.5
136.06128	0.3
141.47166	0.3
145.02818	49.7
146.03169	1.3
149.05974	3.1
163.03949	0.4
177.05431	100.0
178.05782	2.2
182.29092	0.3
183.72780	0.2
186.05420	0.4
248.12718	5.4
265.15399	31.2
266.15756	0.5
351.02304	0.3
380.11847	0.3
771.22253	0.3
772.24603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04969	0.4
58.06528	0.4
65.03859	0.5
69.03347	0.6
70.06515	2.5
72.07726	0.4
72.08073	7.6
73.51727	0.2
74.05955	0.2
76.90327	0.3
81.03328	1.3
83.05959	0.3
84.04417	1.1
84.08056	1.4
85.02791	0.9
86.09636	0.3
87.39629	0.3
91.05409	10.8
97.02808	1.8
104.05287	0.4
106.02882	0.4
109.02821	1.5
110.07111	2.3
112.11200	1.5
116.04948	0.4
117.03327	0.4
119.04896	31.0
120.05222	0.4
122.79662	0.3
124.03918	1.1
127.03850	0.3
129.13832	0.5
134.05975	1.1
145.02817	1.7
146.04924	0.3
146.06001	1.8
147.04390	100.0
148.04761	2.2
155.11697	0.6
162.05475	34.5
163.03854	0.3
163.05817	1.3
175.03864	0.3
177.05460	2.8
190.04944	2.9
197.57513	0.3
203.11786	3.7
204.10185	17.6
205.10663	0.5
207.06583	0.6
208.06082	0.4
218.11717	2.1
221.12628	0.3
274.19180	1.7
275.17545	1.5
282.02914	0.4
292.20187	3.3
352.32913	0.4
373.57336	0.3
438.23813	3.0
468.24939	0.6
486.94937	0.3
533.21655	0.3
643.29675	1.6
789.33282	25.4
790.33661	2.5
815.05511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98183	22.9
64.83427	0.2
75.15405	0.2
76.56966	0.2
93.12225	0.2
103.72598	0.3
124.93726	31.1
137.20512	0.3
142.94760	2.1
156.96347	41.6
172.95209	1.0
174.97513	0.5
190.96288	0.6
191.00803	0.4
198.97426	0.5
212.98943	4.4
228.97893	0.3
230.99959	0.6
241.82835	0.2
253.07906	0.3
325.21048	2.0
461.20288	42.5
462.20795	3.6
493.22919	100.0
494.23251	5.9
726.52802	0.3
726.67163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04966	0.9
57.07005	1.0
60.08101	7.5
71.07269	4.1
71.43675	0.7
79.27266	0.7
80.24182	0.8
86.09629	53.0
87.09969	1.5
98.98382	3.5
104.10680	3.6
122.32071	0.8
124.99962	36.7
143.01036	0.9
152.98584	0.8
152.99701	0.8
168.76320	0.9
184.07309	100.0
185.07730	1.0
248.29620	1.0
296.01892	0.8
384.12875	1.2
650.43268	0.9
790.55695	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	792.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11155	0.9
69.03337	1.2
70.06508	1.8
72.08060	2.3
81.03331	4.4
82.54968	0.8
85.02817	4.8
86.09628	1.3
89.03835	6.9
89.10690	1.1
91.05391	1.6
92.39337	0.8
97.02829	1.4
109.02818	5.5
116.04916	10.6
117.03320	25.9
119.04888	1.4
120.27282	0.9
127.03841	1.8
129.06975	0.9
131.69777	1.0
135.04370	1.2
144.04355	1.3
145.02817	72.9
146.03230	1.1
146.05983	36.5
147.04382	4.9
147.06314	1.1
148.03925	4.4
149.05959	10.3
162.05450	12.9
172.03905	40.3
175.03828	1.3
177.05428	100.0
178.05759	1.9
190.04962	4.1
207.06430	1.6
248.12715	3.8
265.15372	12.9
271.21118	1.0
291.13376	2.1
313.32855	0.9
374.82364	0.9
408.06451	1.1
441.20123	17.6
442.19803	1.1
598.23987	1.6
616.24414	4.4
774.28046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96468	0.2
64.70919	0.1
69.03335	1.2
70.06502	0.9
71.04893	0.3
72.08064	0.4
73.06463	0.3
78.26965	0.2
81.02903	0.3
81.03335	3.7
84.04436	0.2
84.08070	0.3
85.02828	1.2
89.03837	0.3
91.05393	0.9
93.87328	0.1
97.02836	1.5
99.04381	0.3
101.05946	0.4
109.02827	6.1
110.07057	0.2
112.03834	0.2
116.04904	0.7
117.03336	0.3
119.04890	0.8
124.03901	0.4
124.76267	0.2
125.74657	0.2
127.03889	2.7
134.05969	2.2
135.04375	0.2
144.04471	1.7
145.02782	1.4
146.05984	9.7
147.04399	1.3
147.06299	0.3
148.03897	1.2
161.04715	0.3
162.05466	100.0
163.03902	0.4
163.05791	3.5
174.05473	1.1
177.05429	1.5
184.07520	0.2
186.05403	0.2
188.03397	0.3
190.04944	11.1
191.05328	0.3
192.06549	0.3
200.03351	0.2
204.06519	0.7
207.06555	0.2
208.05994	5.8
224.07063	0.2
252.06448	0.7
254.07977	0.3
262.07220	0.4
270.07553	2.0
282.02783	0.7
298.07095	0.8
316.08078	4.1
317.08472	0.2
324.56906	0.2
334.09103	2.7
337.02869	0.2
352.10147	2.9
406.14780	0.3
424.10107	0.3
442.11383	0.3
478.98837	0.2
602.80487	0.2
631.15173	0.3
667.16711	0.4
733.72943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	0.4
57.54298	0.2
58.11411	0.2
69.03345	1.1
70.06499	2.1
72.08067	1.2
73.06458	0.3
80.90199	0.3
81.03329	3.7
84.04430	1.2
84.08067	0.5
85.02824	1.2
86.09621	0.4
89.03781	0.2
91.05406	0.5
97.02820	2.6
99.04385	0.5
101.05934	0.3
104.10696	0.3
109.02834	6.1
110.07085	0.4
116.04931	1.0
116.98660	0.3
117.03310	1.2
119.04893	2.0
120.08046	0.5
124.03932	0.5
127.03864	3.1
134.05992	2.8
136.07518	0.3
144.04428	1.6
145.02826	4.1
146.06013	5.6
147.03371	0.3
147.04367	2.0
148.03816	0.3
149.05969	0.4
151.03889	1.0
162.05473	100.0
163.03868	0.4
163.05829	2.8
174.05476	1.1
175.03860	0.9
177.05463	4.5
178.05846	0.5
181.04878	0.3
190.04964	10.9
191.05318	0.4
204.06532	1.1
207.06482	1.0
207.44658	0.2
208.05998	6.4
224.07022	0.3
252.06360	0.3
257.34653	0.3
258.35132	0.2
262.07083	0.6
270.07593	1.7
274.54147	0.3
278.03876	0.3
280.07993	0.3
282.02722	1.0
287.04178	0.3
293.46332	0.3
298.06940	0.6
316.08148	4.0
321.09402	0.3
334.09131	3.6
352.10187	3.4
406.14911	0.3
424.10138	0.4
442.11478	0.3
631.14886	0.5
667.17566	0.4
733.00305	0.3
751.45599	0.3
793.32788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06503	4.5
72.08073	1.3
84.08125	0.7
85.02852	0.7
89.03827	5.4
91.05412	2.6
117.03325	14.1
119.04884	0.8
126.85454	0.7
130.06512	0.8
130.86372	0.9
136.62434	0.7
145.02823	30.4
146.06033	3.2
147.04401	2.8
149.05962	5.8
162.05453	3.2
167.06963	2.6
177.05435	28.4
181.04788	0.7
207.06509	1.0
233.06009	3.7
234.06578	0.9
248.08365	1.2
249.05363	0.8
251.07027	1.3
261.05389	10.8
275.06931	1.3
276.07745	45.9
276.10721	1.6
277.08270	3.1
278.05811	0.9
279.06467	14.4
282.02936	1.4
292.07086	0.9
293.08041	1.6
294.08832	3.8
304.07172	1.1
307.05936	25.2
308.06613	1.1
309.07684	5.8
309.10724	0.7
322.08279	33.7
337.10596	17.7
338.11444	0.8
341.10202	15.2
350.07687	0.8
351.46130	0.8
354.07104	1.5
355.11710	8.5
365.10120	100.0
366.10416	5.5
369.09656	1.3
392.97012	0.7
453.20071	12.4
454.20587	1.2
515.16919	0.8
526.11145	0.9
629.24823	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14113	0.4
69.03347	3.3
70.06501	1.8
71.04900	0.5
72.08072	0.5
77.91293	0.4
81.03336	10.7
85.02820	2.6
88.15253	0.4
91.05421	0.8
97.02822	4.1
99.04376	1.0
101.05954	0.5
106.02927	0.5
107.04874	0.6
109.02837	16.5
110.07056	0.4
116.04945	0.4
118.06493	0.5
119.04929	0.8
124.03909	1.7
127.03869	6.4
128.04961	0.9
130.06465	0.6
132.04398	1.9
134.05933	1.5
144.04417	0.9
145.02821	3.0
146.05988	100.0
147.04385	2.3
147.06302	3.3
148.03860	0.5
162.05469	63.6
163.05812	3.6
174.05472	10.6
175.03891	0.8
175.44299	0.4
177.05479	3.0
178.05791	0.9
188.06976	0.6
190.04973	7.7
192.06558	4.9
200.07211	0.4
207.06493	0.8
208.06010	3.7
235.07642	0.5
243.10260	0.4
254.08035	3.2
262.06937	0.5
263.06952	1.6
265.08722	0.7
265.15292	0.5
270.07538	0.6
300.08603	2.5
316.07910	3.0
318.09665	3.2
323.09128	2.8
334.09155	1.8
336.10748	2.3
340.09503	0.5
352.10263	2.7
423.16150	0.5
426.11563	0.8
442.20950	0.4
449.12134	1.8
489.13312	0.5
513.13739	0.9
585.17163	0.5
651.17975	2.2
659.96527	0.5
725.11487	0.4
773.89581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03862	1.7
72.08065	6.1
77.31590	0.2
79.05402	2.0
89.03822	1.8
89.10719	2.6
91.05402	16.5
92.40940	0.2
94.84689	0.2
95.04877	0.2
98.05979	0.5
107.04889	4.1
115.08684	0.4
117.03313	6.5
119.04890	46.7
120.05252	0.5
124.05151	1.2
125.05947	0.5
132.61038	0.2
135.04407	0.3
145.02821	28.6
146.03188	0.3
147.04381	100.0
148.04718	1.9
149.05959	2.9
152.04549	0.4
160.05135	0.5
167.07010	7.0
175.07527	1.9
177.05424	49.4
178.05769	1.1
187.07419	0.3
201.05525	0.2
216.04150	0.5
218.07187	0.4
218.11780	0.4
219.07951	1.3
231.06445	7.0
234.06680	0.2
235.07474	0.5
235.14299	1.6
246.06876	0.4
247.07489	1.6
248.12787	2.9
249.05354	0.3
260.08331	0.9
261.08994	0.9
263.06906	0.9
264.07703	1.3
265.08273	0.3
265.15387	19.2
266.15756	0.4
277.05316	0.3
277.08481	1.0
278.09296	0.3
279.10199	0.4
281.07944	0.3
292.07175	1.1
293.07932	1.1
298.08231	0.3
307.09558	2.3
309.07520	1.7
313.10501	1.4
323.08969	0.5
325.10822	0.3
339.12195	6.3
353.10123	0.5
367.11621	8.8
385.12775	1.0
411.18829	1.0
455.21536	2.6
473.22635	1.2
477.20517	0.2
601.25110	0.4
619.26392	3.5
631.26385	5.1
649.27435	9.1
650.27521	0.9
795.29956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03859	1.2
68.53706	0.2
70.06495	1.1
72.08061	0.9
79.05368	0.3
85.24033	0.2
89.03841	1.2
91.05408	17.1
95.04862	0.2
98.05958	0.3
107.04882	0.9
117.03334	3.4
118.04094	0.2
119.04895	50.7
120.05244	1.3
121.02854	0.2
131.04913	1.0
134.03554	0.3
135.04369	0.3
145.02829	6.6
146.03278	0.3
147.04387	100.0
148.04718	3.0
149.05919	1.4
162.03131	0.2
167.07022	3.1
176.04625	0.3
177.05444	7.9
177.06905	0.3
181.04997	0.3
189.06947	0.3
190.07715	0.8
191.07036	1.5
191.08566	0.3
192.07764	0.4
205.06447	0.4
207.06396	0.2
213.05414	1.6
218.07199	2.0
219.08058	1.9
220.08693	0.2
221.05907	1.1
229.06453	0.3
231.06264	0.4
232.05113	0.4
233.05994	0.3
234.06685	0.4
235.07503	1.3
236.08279	1.1
236.79407	0.2
237.09006	0.4
239.81470	0.2
245.05928	0.4
246.06651	2.5
247.07434	3.3
248.08278	0.8
249.05382	2.6
250.06197	1.0
251.07034	0.3
257.05988	1.0
258.06616	0.3
260.04678	2.3
261.05313	1.7
261.09076	0.4
262.06223	0.4
263.06891	1.6
264.07751	4.0
265.08469	1.3
265.15396	1.6
271.07617	0.2
273.05353	0.4
274.06229	3.1
275.06940	5.3
276.07687	1.1
277.04919	3.7
277.08063	0.3
278.05399	0.3
279.06747	0.2
279.10217	1.1
281.08176	0.3
288.04169	2.6
289.04916	1.9
289.08603	1.1
290.05536	0.5
291.06497	1.9
291.09924	0.4
291.13400	1.0
292.07211	7.3
293.07895	1.1
302.05643	2.7
303.06451	14.7
304.07053	3.1
305.04425	5.7
305.07828	0.6
306.05048	0.3
306.08615	0.4
307.09549	4.4
309.07507	1.1
317.08078	1.1
319.06046	0.9
320.06726	12.6
321.07269	1.2
324.09927	0.4
325.10492	0.3
335.09067	27.8
336.09528	1.9
337.07050	0.3
339.12332	0.5
349.10614	0.3
352.09372	1.1
367.11685	48.3
368.12033	4.0
455.21671	1.1
481.19174	0.3
619.26239	2.9
631.26263	0.3
636.28821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03374	0.2
63.02285	0.2
64.27205	0.2
65.03860	0.3
68.98424	0.2
69.03341	1.5
70.06504	1.6
71.04926	0.3
72.08068	6.4
76.55830	0.3
81.03338	4.2
84.08063	0.3
84.95959	0.3
85.02832	1.7
87.05390	0.2
89.03311	0.3
89.03835	5.9
89.10715	2.6
91.05405	9.0
95.04910	0.5
97.02823	2.0
98.05990	0.6
99.04391	0.3
103.05393	0.5
105.03352	0.4
109.02821	1.1
114.09110	0.3
114.28996	0.3
115.08578	0.8
117.03326	22.4
118.03606	0.3
119.04893	18.4
120.05225	0.4
121.02768	0.3
127.03840	0.6
130.06413	0.3
131.04918	0.3
134.03598	1.0
135.04413	3.1
145.02821	75.0
146.03146	2.1
147.04388	19.3
148.04733	0.3
149.05965	8.0
151.03888	1.0
157.03941	1.6
157.26869	0.3
162.03081	0.3
162.05464	2.3
163.03857	0.9
163.05627	0.3
164.04611	0.3
175.03870	32.0
176.04265	1.1
177.05432	100.0
178.05757	3.9
179.06981	1.5
186.05435	1.0
192.04134	0.5
207.06488	50.7
208.06815	1.3
248.12772	5.1
265.15408	16.9
307.16595	0.4
323.08673	0.3
325.13962	0.3
351.10815	2.0
369.11539	2.0
391.18527	1.2
409.18076	1.2
591.85669	0.3
616.23083	0.3
633.26404	38.9
634.26642	3.8
716.66882	0.3
795.30890	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38982	0.3
59.72274	0.3
66.24973	0.3
67.01774	1.9
69.03349	1.3
69.06418	0.3
70.06498	1.2
71.04879	0.3
74.50529	0.3
75.95949	0.3
79.21309	0.4
81.03336	5.6
84.08079	0.3
85.02815	1.3
89.03841	4.1
91.05395	0.7
92.10917	0.7
97.02805	1.6
99.04385	3.1
109.02824	8.8
117.03329	19.1
118.03644	0.5
119.04886	0.7
124.03902	1.3
127.03876	16.5
128.04245	0.4
135.04378	1.4
145.02824	67.4
146.03169	2.2
146.05975	2.7
147.04413	1.9
147.06313	0.4
148.77470	0.4
149.05949	7.2
162.05446	2.7
162.92052	0.3
163.03844	0.6
177.05434	100.0
178.05771	3.7
186.05417	1.2
187.05966	0.8
195.66475	0.4
207.06526	0.6
229.06952	0.6
243.06383	0.4
247.08095	0.7
285.07397	0.7
303.08578	14.6
450.75266	0.4
515.15369	10.9
516.15894	0.6
739.89087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67837	0.1
67.01781	1.8
67.92516	0.1
69.03334	0.7
70.06498	0.7
71.04922	0.2
72.08064	0.1
73.47134	0.2
78.04629	0.2
81.03328	3.0
85.02802	1.0
86.09624	0.2
89.03830	4.7
91.05392	0.4
97.02818	1.1
99.04377	1.0
103.05417	0.2
104.05254	0.2
106.04125	0.2
109.02829	6.4
117.03319	20.2
119.04871	0.6
124.05135	0.2
125.67545	0.1
126.38466	0.1
127.03865	6.9
129.18246	0.1
134.03592	1.1
135.04398	2.3
137.05908	0.2
145.02815	68.2
146.03178	1.2
146.05994	1.3
147.04393	0.4
149.04765	0.3
149.05951	8.0
150.06294	0.2
162.03075	0.2
162.05466	0.9
163.03870	0.7
177.05423	100.0
178.05777	2.9
183.44742	0.1
185.05887	0.2
186.05489	1.2
187.05910	0.2
197.74915	0.1
207.06488	0.3
229.06891	0.2
243.06506	0.2
259.09595	0.2
270.07959	0.2
273.82346	0.2
282.02625	0.2
285.07489	0.9
303.08551	14.2
304.08881	0.4
379.30005	0.2
501.09451	0.2
515.15356	10.1
516.15601	0.7
587.25397	0.2
669.58118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04971	0.5
60.07829	0.4
60.08098	8.6
71.07285	5.7
86.09629	54.3
91.63211	0.4
98.98391	4.8
104.10698	3.8
124.99965	36.6
143.01012	1.6
184.07309	100.0
185.07657	0.8
206.06445	0.4
227.80083	0.3
242.56093	0.4
266.75955	0.4
282.53220	0.4
558.89771	0.4
796.54620	7.6
797.55035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08102	8.9
60.48446	0.5
65.05745	0.5
67.05418	0.8
71.07296	4.1
79.05414	0.8
86.09631	48.5
92.10285	0.8
95.08535	0.8
98.98423	3.9
104.10664	2.6
124.99971	33.4
136.11244	0.6
143.01033	0.9
149.36388	0.5
184.07315	100.0
185.07605	2.2
227.34160	0.5
282.93777	0.6
541.61469	0.6
780.55414	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	798.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04966	0.9
58.06542	0.3
60.08096	9.4
65.56577	0.1
67.05418	0.2
71.07292	4.1
73.61459	0.1
81.06975	0.3
84.89333	0.1
86.09626	47.3
87.09972	0.7
98.98399	4.6
104.10674	3.6
124.99963	36.2
126.00217	0.2
134.74763	0.2
143.01021	1.0
149.44044	0.2
184.07304	100.0
185.07649	1.5
247.24263	0.2
264.97360	0.2
294.35266	0.2
321.03302	0.2
347.65469	0.2
600.75159	0.2
628.65430	0.2
687.05457	0.2
780.55261	8.8
781.55707	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04985	0.2
58.06533	0.4
60.08094	9.7
63.85513	0.2
64.34153	0.2
67.05424	0.2
70.85562	0.2
71.07286	5.0
79.00808	0.2
81.06965	0.4
86.09624	50.9
86.87486	0.2
87.09957	0.3
88.05685	0.2
95.08546	0.3
98.98395	4.4
104.10669	4.6
105.91824	0.2
124.99959	36.0
143.01035	1.1
184.07297	100.0
185.07669	1.6
229.53128	0.2
245.39842	0.2
270.80777	0.3
476.87570	0.2
780.54382	0.5
798.56293	8.8
799.55811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04973	0.9
57.03368	0.7
58.06538	3.0
65.03876	3.1
69.03350	9.7
70.06522	3.4
71.04930	2.0
72.08081	2.8
73.02849	1.0
74.40035	0.7
78.03388	4.8
81.03335	12.2
83.04934	0.6
84.08067	21.5
85.02830	12.8
89.03865	3.3
91.05404	48.3
95.04938	0.8
96.04440	3.2
97.02824	9.2
98.09619	9.4
98.10109	0.5
99.04380	7.6
100.07550	11.9
103.03908	2.4
105.42501	0.6
106.02857	30.4
107.03201	0.7
107.04886	5.3
108.05679	0.6
109.02822	11.6
110.09620	6.5
112.11188	27.6
113.07069	9.1
117.03323	9.2
118.04160	1.3
119.04894	89.1
120.05681	82.6
121.02876	1.0
124.03911	46.3
125.04282	1.0
127.03880	12.7
129.13841	9.9
131.82191	0.5
133.02866	3.3
134.06029	3.2
135.04411	3.4
144.04546	0.6
145.02823	18.2
145.05019	2.4
146.03609	22.9
146.04689	0.9
146.06036	1.3
147.04439	0.9
151.03951	0.8
153.10355	0.7
155.11757	43.2
158.06056	0.8
161.02374	3.2
162.05466	85.2
163.03894	3.7
163.05774	4.3
167.08517	0.8
171.04416	1.3
171.14839	0.6
172.14458	0.7
174.05627	0.7
177.05481	4.0
178.05888	0.5
186.05569	0.7
187.05933	0.6
190.04965	8.3
190.06221	0.5
191.08621	2.3
195.08092	2.0
204.06558	1.1
208.06096	2.8
212.17531	5.9
214.19043	0.6
215.41086	0.5
219.07965	5.5
221.05981	0.6
223.07590	3.6
225.09184	1.3
229.20172	10.0
237.09023	5.2
247.07529	4.4
250.06985	3.8
251.06969	17.8
252.07518	0.7
253.08617	7.1
263.07217	0.9
264.01883	0.6
265.08539	100.0
266.08905	3.3
267.10107	0.6
268.08093	25.6
269.08102	9.4
270.07916	0.8
282.02823	0.6
290.08176	0.6
291.06586	1.3
305.93079	0.6
308.12863	0.7
320.12863	0.7
322.14429	8.6
347.14032	1.1
348.12350	5.6
348.16034	2.2
350.13867	0.7
366.17130	2.3
393.21783	0.9
405.18103	0.6
419.19659	5.9
429.12805	6.1
439.18726	2.1
457.12814	0.8
464.25327	4.5
475.13419	2.8
476.25681	1.2
493.27884	8.5
517.14410	0.9
601.16449	11.9
602.16577	1.1
619.17590	18.0
620.18018	2.7
637.18634	9.9
638.19281	1.2
725.37518	0.6
737.37402	0.7
770.35364	0.8
782.36499	0.7
799.37433	86.8
800.37720	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	799.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03376	10.5
57.07016	8.7
59.88771	0.8
64.72446	0.8
67.05430	14.9
69.06989	27.4
71.08552	4.1
73.70989	0.8
74.59625	0.9
79.05399	6.3
81.06971	13.3
83.08083	1.3
83.08534	16.1
85.10079	1.6
85.66318	0.9
93.06978	9.7
95.08523	14.4
97.06451	1.5
97.10123	9.3
101.53823	0.8
107.08520	4.4
109.10110	5.1
111.08005	1.4
111.11691	1.3
121.10101	8.2
123.11631	1.8
134.98152	49.9
135.11623	5.9
138.74715	0.8
149.13268	1.7
152.99153	1.3
173.82477	0.9
176.00789	1.1
209.01897	1.5
219.09456	1.0
244.39166	0.9
270.41068	0.9
274.13043	0.9
307.96460	0.9
308.04678	0.9
339.28860	20.1
349.23422	60.6
350.23700	1.0
367.23230	4.9
368.23477	0.9
473.26312	100.0
474.26547	3.8
497.49527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04960	0.5
60.07788	0.5
60.08090	10.9
60.40242	0.4
62.07227	0.4
64.33710	0.4
68.31151	0.4
70.91061	0.4
71.07282	4.4
72.89220	0.4
86.09624	55.4
89.46235	0.4
94.23862	0.4
98.98388	4.1
101.46764	0.4
104.10681	3.6
124.99959	39.6
143.00996	0.7
144.63644	0.4
144.75912	0.4
148.02458	0.4
176.69066	0.4
184.07297	100.0
185.07639	1.7
537.88171	0.5
545.62073	0.4
550.06238	0.5
800.57819	7.2
801.58826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95103	2.7
69.03357	2.9
70.06512	5.1
72.08070	30.0
75.57122	2.4
78.94232	2.8
81.03336	4.2
84.08080	3.6
86.09644	2.9
91.05404	16.9
100.11185	4.0
117.03320	17.2
119.04879	32.8
145.02843	65.8
146.05946	14.2
147.04390	87.4
149.05933	5.6
162.05438	41.0
175.03886	4.0
177.05438	100.0
178.05795	3.6
203.11865	3.3
204.10161	17.1
204.21712	2.7
207.03075	2.9
207.06485	6.0
208.05939	3.3
225.24815	3.2
231.39995	2.7
233.07925	3.0
234.11241	27.9
251.00963	2.6
252.81799	4.0
280.32498	2.8
351.24289	5.3
359.23236	4.8
443.69775	3.2
468.24811	4.2
660.30884	15.3
679.50848	5.0
728.12042	3.0
761.18182	3.3
806.34656	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	806.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33588	0.2
65.03851	1.2
69.03339	0.4
70.06493	1.2
72.08067	6.9
78.77076	0.2
81.03342	1.6
84.04408	0.3
84.08069	1.5
85.02836	0.8
89.03837	0.2
91.05407	14.5
95.04881	0.3
97.02822	0.7
99.04379	0.3
103.05409	0.3
106.02937	0.2
107.04910	0.4
109.02837	1.2
110.07153	0.2
110.09622	0.3
112.11196	1.4
117.03342	2.1
119.04894	35.7
120.05237	0.8
121.02842	0.2
124.03893	0.2
127.03862	0.3
129.13852	0.4
135.04367	0.2
135.38509	0.2
137.06009	0.3
145.02827	4.3
146.06007	4.8
147.04387	100.0
148.04774	2.2
149.05972	0.7
149.12012	0.2
151.03903	0.3
155.11731	0.8
157.04028	0.4
162.05476	4.6
163.03978	0.3
163.05782	0.3
167.07034	0.4
174.05530	0.7
175.03870	13.6
176.10745	0.4
177.05429	4.5
179.06972	0.3
181.04930	0.4
190.05005	0.4
203.11771	3.9
204.10167	17.8
205.10565	0.4
207.06499	17.1
208.06865	0.4
218.11763	1.7
221.12817	0.3
265.08514	0.2
274.19138	2.1
275.17535	1.5
282.02914	0.7
292.20184	3.1
321.09329	0.2
323.08929	0.2
351.10852	0.7
438.23895	1.6
468.25171	0.4
660.31348	1.5
673.58936	0.2
789.31866	0.3
806.34741	22.6
807.35260	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	807.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62391	1.6
67.82437	1.3
70.06512	14.0
72.08053	3.3
81.03329	6.1
84.04436	2.3
85.02840	2.5
86.09637	2.0
91.05417	2.9
96.49422	1.4
97.02808	2.0
109.02828	8.3
110.03175	1.6
110.07122	2.1
117.03355	1.8
119.04881	7.6
127.03867	2.3
137.05873	1.5
145.02876	9.4
146.05981	35.7
147.04379	7.6
147.06342	3.6
162.05467	56.4
163.03850	2.2
163.05910	2.0
174.05489	2.6
175.03894	6.2
177.05455	12.0
184.87549	1.6
190.05022	7.0
192.06549	2.1
207.06537	6.1
208.06001	1.7
282.02783	7.1
463.18292	100.0
463.24936	3.2
464.18463	7.0
782.10431	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	807.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04972	3.0
58.06523	0.7
60.05066	0.3
61.01066	1.4
61.02807	0.3
65.03842	1.2
69.03337	0.5
70.06512	4.9
70.59205	0.3
72.08069	2.8
72.81516	0.2
75.05505	0.5
81.03325	0.7
83.06007	0.5
84.04427	4.9
84.08062	7.4
85.02786	1.1
86.09628	2.1
91.04840	0.3
91.05399	8.8
97.02822	0.7
98.05966	1.4
98.09623	2.3
100.07542	2.1
101.07066	1.1
102.05438	0.6
104.05248	1.7
107.04895	1.9
109.02840	0.4
110.07109	10.2
110.09638	0.4
112.08674	0.4
112.11186	11.3
112.40714	0.3
113.07039	0.5
119.04896	27.0
120.05200	0.4
122.07079	0.5
127.03896	0.3
129.06558	0.4
129.13814	5.6
136.07562	2.9
138.94388	0.3
141.05460	0.4
145.02814	0.4
146.06084	1.5
147.04384	100.0
148.04720	1.8
149.05904	0.4
151.03893	16.0
151.04996	0.7
155.11726	4.5
162.05493	2.7
163.03905	0.7
167.09325	0.4
169.04843	0.3
169.13336	0.6
177.05461	1.2
190.05070	0.4
195.08945	0.4
199.21877	0.3
203.11772	2.6
204.10168	15.6
205.10460	0.6
221.10393	0.4
275.17441	3.0
282.03342	0.3
342.75241	0.3
506.01816	0.3
534.88000	0.3
587.25824	0.5
614.00696	0.3
672.31232	1.2
687.31891	2.1
807.37823	33.2
808.38611	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	808.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46861	0.2
63.78711	0.2
65.03844	0.4
67.01789	4.0
69.47668	0.2
70.06509	0.4
71.04896	0.4
75.82031	0.2
81.03339	5.4
85.02814	1.0
86.09646	0.3
89.03832	1.0
91.05409	7.0
95.81433	0.3
97.02835	2.1
99.04369	1.6
109.02836	14.4
117.03325	4.4
119.04898	22.3
127.02927	0.6
127.03878	16.0
131.04866	0.3
135.04376	0.3
145.02832	12.0
145.03963	0.4
146.03113	0.3
146.05978	2.4
147.04390	100.0
148.04715	2.8
149.05980	1.5
162.05463	1.2
167.06970	1.7
169.04916	0.4
177.05428	16.8
177.77602	0.2
178.44762	0.2
255.06337	0.3
273.07498	10.5
274.08084	0.3
303.08527	1.5
323.53998	0.3
406.91748	0.3
485.14404	7.6
486.14566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79739	0.9
61.05577	0.9
61.25093	1.0
64.33455	0.9
65.03872	1.2
70.06501	2.3
72.92396	1.0
75.22768	0.9
79.05421	2.1
80.13164	0.8
80.64068	1.2
81.03320	1.9
83.94802	0.8
85.02808	1.2
89.03819	1.1
91.05406	9.1
94.13789	1.0
95.04889	2.4
102.60546	1.0
103.05398	9.8
105.06966	5.9
107.04886	6.4
115.05394	6.4
117.06963	2.5
118.04091	2.5
119.04885	24.9
123.04359	2.4
131.04900	11.3
133.06439	7.3
137.05971	2.4
143.04944	1.0
145.06470	4.4
147.04387	100.0
148.05048	5.6
149.05960	2.0
151.03931	1.2
152.57588	1.1
161.05995	10.2
163.07484	9.6
163.71675	1.0
167.07001	40.5
168.07343	1.5
171.06459	1.9
173.05942	4.2
175.07484	4.7
177.05426	2.6
181.04913	33.6
181.06407	2.3
191.06999	32.3
192.07739	1.4
193.05022	1.2
196.13014	1.1
203.06995	2.2
207.08025	1.7
207.72653	1.2
211.07477	1.2
233.07970	2.3
235.09618	1.5
247.07610	1.3
247.85336	1.2
263.09128	2.5
267.10083	1.8
268.07300	1.1
323.09088	2.6
325.10593	1.7
359.15082	1.1
385.12500	2.5
417.15570	5.2
577.20343	6.0
609.23132	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	809.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	0.2
60.86665	0.2
64.97402	0.2
64.97760	0.2
65.40480	0.2
69.03343	2.4
70.06509	1.2
71.04913	0.3
72.08089	0.3
81.03339	5.8
84.04474	0.3
85.02821	1.4
91.05401	0.4
97.02811	2.7
99.04376	0.6
107.04903	0.4
109.02827	8.2
109.03516	0.3
110.07111	0.3
112.11159	0.2
117.03385	0.3
118.06546	0.4
119.04903	0.5
121.02811	0.3
127.03873	4.0
128.04890	1.9
132.04416	1.5
132.67847	0.3
134.05980	0.5
144.04425	0.4
145.02789	1.0
145.04965	0.2
146.05992	100.0
147.04366	1.0
147.06332	2.5
149.05939	0.2
149.15849	0.3
162.05470	51.4
163.03854	0.3
163.05785	1.3
174.05476	10.2
175.05721	0.3
177.05443	1.3
178.05748	0.3
188.03510	0.4
188.07025	0.6
190.04951	6.2
192.06523	7.3
206.02748	0.3
208.05991	2.5
246.07541	0.5
254.08069	3.6
262.06879	0.4
270.07568	0.4
280.08136	0.3
282.07635	0.4
300.08463	2.3
316.08121	3.0
318.09653	3.6
323.87045	0.3
334.09009	2.0
336.10626	2.3
352.10172	3.4
426.11685	0.5
444.12106	0.3
489.12564	0.4
493.27768	1.0
615.15753	0.4
651.17267	1.4
687.19128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86742	0.3
63.80651	0.2
64.73577	0.3
67.54198	0.3
69.03341	1.6
70.06513	1.1
71.06828	0.3
72.08067	0.5
72.51685	0.3
81.03338	5.7
85.02818	1.7
89.03817	0.4
91.05421	0.7
92.10233	0.5
97.02836	2.6
99.04378	0.7
103.54231	0.3
109.02831	9.6
114.38129	0.3
116.04919	0.6
117.03356	0.4
118.06490	0.5
119.04907	1.3
121.02797	0.3
127.03865	4.0
128.04932	2.3
132.04433	1.6
134.05956	1.5
136.06148	1.1
144.04414	1.2
145.02791	2.1
146.05988	100.0
147.04372	3.1
147.06288	3.1
149.05965	0.3
151.99281	0.4
162.05470	55.3
163.05812	1.7
172.07513	0.4
174.05476	11.2
175.03870	0.6
177.05409	2.0
188.07047	0.5
190.04955	6.9
192.06499	6.2
204.06525	0.5
204.10114	0.6
207.06569	0.4
208.05939	2.3
246.07668	0.6
254.08072	3.3
262.06845	0.3
270.07562	1.3
282.02780	0.5
282.07520	0.7
300.08578	3.0
316.08072	3.9
318.09723	1.9
334.09131	2.0
336.10660	2.5
352.10144	2.2
615.16418	0.4
651.17529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61330	0.2
59.49769	0.1
63.02301	0.4
65.03862	0.4
67.02152	0.1
69.03342	0.8
70.06512	0.3
72.08074	2.9
77.03833	0.2
78.04629	0.3
79.05430	0.2
81.03329	2.4
85.02834	0.8
89.03834	9.9
89.04389	0.4
89.10723	1.6
91.05409	10.2
95.04910	0.2
98.05974	0.3
103.05392	0.7
106.04144	0.4
109.02832	1.0
115.08633	0.7
117.03329	34.2
118.03579	0.6
119.04895	18.8
120.05244	0.3
121.06461	0.2
124.05161	0.3
132.02055	0.7
133.02760	0.3
134.03609	1.8
135.04396	2.9
136.05208	0.2
137.22688	0.2
143.04605	0.2
145.02823	91.7
146.03168	2.4
146.05980	0.2
147.04387	16.8
148.04781	0.3
149.02353	0.3
149.05954	12.1
150.06267	0.3
157.03955	1.5
158.05960	0.3
162.03059	0.3
162.05446	0.6
163.03867	1.3
163.99280	0.2
164.04613	0.4
175.03868	29.5
176.04242	0.8
177.05432	100.0
178.05792	2.2
179.07042	1.6
186.05458	1.0
192.04156	0.4
207.06493	39.5
208.06815	0.9
208.72493	0.2
247.14310	1.1
248.12732	3.8
265.15405	19.7
266.15689	0.8
266.52646	0.2
291.13272	3.1
351.10855	1.5
369.11609	2.1
370.33307	0.2
441.20099	20.7
442.20779	1.6
500.29276	0.2
603.25043	0.9
633.26459	10.6
634.26105	0.9
673.75214	0.2
809.32147	1.2
819.66058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69854	0.5
57.03371	0.7
64.80710	0.5
69.03345	3.1
70.06507	1.2
70.84326	0.6
72.08051	1.0
76.60967	0.5
78.03377	2.8
79.05414	0.7
81.03336	8.0
85.02832	3.6
91.05409	2.5
96.04405	0.9
97.02821	3.0
99.04370	1.0
106.02860	14.1
107.04881	0.7
109.02823	8.0
117.03352	2.3
118.06484	0.6
119.04896	1.3
124.03913	34.7
127.03883	3.6
128.04878	1.4
132.04388	0.7
134.05988	0.8
140.96931	0.6
145.02832	7.3
146.05991	100.0
147.04379	5.8
147.06332	3.9
159.85309	0.6
162.05469	63.1
163.05814	1.4
167.07068	1.3
174.05479	9.4
175.03848	3.2
177.05461	9.6
190.04909	7.7
192.06532	7.0
201.05481	0.8
204.06557	1.3
207.06500	3.6
208.05977	4.9
210.14867	0.7
243.10036	0.7
250.07054	0.9
265.15436	1.4
268.08151	9.3
282.02917	0.9
300.08502	0.9
318.09546	4.6
336.10767	3.1
350.22668	0.8
359.23050	3.3
359.73267	1.0
429.12247	1.1
475.06812	1.2
475.13403	26.7
476.13968	1.3
543.15979	0.9
580.29260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73137	0.3
69.03347	3.7
70.06492	0.4
71.04897	0.4
73.02840	0.6
78.03362	2.9
78.05077	0.3
80.04942	0.4
81.03333	8.2
81.10014	0.3
85.02827	3.5
91.05405	3.5
95.04875	0.5
96.04410	3.0
96.53892	0.3
97.02814	3.1
99.04379	0.7
106.02854	18.8
107.03191	0.4
109.02826	8.4
116.04892	0.4
119.04897	5.4
119.62240	0.3
124.03907	38.0
125.04220	0.6
127.03867	3.3
127.91648	0.3
128.04921	2.0
131.04924	0.4
132.04422	0.7
133.68205	0.3
134.05957	1.8
135.04384	0.4
144.04445	1.1
145.02827	1.8
146.05980	78.3
147.04401	5.8
147.06325	2.2
148.03835	0.6
159.80098	0.3
160.04991	0.3
162.05463	100.0
163.05836	3.0
163.07047	0.4
174.05446	8.3
175.03879	8.9
177.05377	2.3
181.04863	0.7
186.05405	0.6
190.04927	10.0
190.06516	0.7
191.05196	0.4
192.06485	4.4
204.06435	1.5
207.06505	9.0
208.06029	6.2
232.06006	0.4
239.32739	0.4
250.06981	2.6
262.07336	0.3
264.01663	0.5
268.08081	13.3
269.08478	0.4
297.07434	0.6
300.08618	0.6
315.08508	0.6
315.38147	0.4
316.07925	1.6
318.09677	2.0
334.09225	0.4
336.10861	1.3
369.11578	0.4
429.12753	1.3
464.70316	0.4
475.13354	35.4
476.13675	2.4
543.15710	0.7
583.16083	0.6
601.16132	0.5
619.17303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	1.5
70.06496	1.4
70.62836	0.3
71.04919	0.3
72.08070	0.6
72.99817	0.2
77.44124	0.2
81.03336	4.9
81.99625	0.3
84.08074	0.4
85.02824	1.4
91.05402	0.5
97.02807	1.6
106.02850	0.4
109.02825	6.1
116.04955	0.4
116.98614	0.3
117.03319	0.6
119.04881	0.6
121.42490	0.3
122.31953	0.2
124.03909	1.0
127.03890	2.9
134.06013	2.0
144.04416	0.6
145.02820	1.4
146.05989	13.3
147.04437	2.0
147.06331	1.0
148.03806	0.9
149.05942	0.3
151.03897	0.3
162.05467	100.0
163.05815	3.3
168.02107	0.3
174.05476	2.1
175.03911	0.5
177.05388	2.4
181.04921	0.4
186.05420	0.3
188.03381	0.5
188.06938	0.3
190.04959	10.0
191.05374	0.2
192.06496	0.5
204.06560	0.9
207.06551	0.3
208.06021	4.7
234.11142	0.3
252.06650	0.5
262.07104	0.4
270.07535	2.1
276.69220	0.3
298.06921	1.0
312.93115	0.3
314.76913	0.3
316.08054	3.7
318.09607	0.4
321.92520	0.3
334.09198	2.5
352.10229	2.5
353.10239	0.3
403.18521	0.3
406.14948	0.5
424.09558	0.3
442.10999	0.4
631.14703	0.4
667.18176	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67384	0.7
70.06508	2.7
72.08064	0.8
77.22796	0.6
82.13753	0.6
83.69041	0.7
89.03842	2.9
91.05403	10.6
92.10321	1.3
94.70578	0.6
95.10413	0.5
116.75623	0.8
117.03323	11.2
119.04898	31.7
120.05230	0.8
131.04910	0.7
145.02837	25.7
147.04391	100.0
148.04742	3.3
149.05986	3.2
160.23117	0.6
167.07007	1.3
171.06514	1.2
177.05437	21.6
181.04924	21.4
225.07658	0.7
279.79568	0.6
351.09113	0.7
371.11206	10.8
383.10907	2.9
401.12146	3.6
489.22073	3.4
635.25726	3.9
663.05658	0.7
665.26929	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	812.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06539	1.4
70.06503	5.6
72.08070	2.1
76.97472	0.9
78.35566	1.1
81.03329	1.2
84.08066	21.1
86.09612	2.5
91.05388	11.6
97.02835	2.4
98.09610	15.1
100.07561	2.0
100.11156	5.0
107.04892	2.4
110.09621	9.8
113.07050	1.3
117.03332	4.0
119.04887	51.8
120.05679	36.5
124.03860	1.6
126.21468	1.2
145.02788	10.1
146.03598	12.0
146.05963	8.0
147.04350	6.0
151.03915	2.2
153.10190	19.0
155.11780	9.9
155.15390	1.6
162.05490	13.4
174.05449	1.1
180.30928	1.2
184.14441	2.0
186.15901	1.2
198.16016	8.5
203.09331	1.8
208.06065	1.7
237.09041	1.4
247.07506	2.5
263.06955	2.1
265.08527	60.7
266.08676	1.2
282.02924	1.2
290.07925	1.5
291.06451	4.9
292.09595	1.7
348.12173	3.8
363.16913	2.5
387.08963	1.3
417.17853	2.3
419.19479	15.1
448.21857	1.8
450.23532	2.3
453.33862	1.5
462.23685	18.9
463.23566	1.2
505.27988	100.0
506.28320	9.8
518.16565	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07000	4.6
57.32066	0.7
60.08084	11.7
61.21680	0.8
67.05370	0.8
70.49660	0.8
71.07298	7.3
71.08540	4.7
78.71196	0.7
81.06966	1.4
86.09621	41.7
87.09953	1.1
95.08519	1.0
98.98386	1.1
104.10675	100.0
105.11022	2.1
109.10165	0.9
124.99920	10.0
146.98157	14.6
184.07297	36.8
258.79214	0.9
259.21390	1.1
313.27383	12.8
431.35086	1.1
459.24683	27.5
460.24713	1.3
496.33896	17.1
497.34442	6.1
518.32050	49.1
519.32178	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	813.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21232	0.1
62.01510	0.2
63.02311	0.8
65.03860	1.0
70.06505	4.7
72.08069	5.1
74.19621	0.1
76.75993	0.1
78.04635	0.7
79.05396	0.4
85.02842	0.3
89.03835	12.8
89.10717	0.3
91.05400	16.7
93.06963	1.0
95.04890	1.1
98.05966	0.4
102.04514	0.2
103.05391	3.4
104.06170	1.0
105.03328	0.3
105.06973	0.7
106.04105	0.8
107.04884	2.4
109.06487	0.2
115.05408	1.3
115.08624	0.8
117.03323	41.1
117.06997	0.4
118.03666	0.2
118.04133	0.3
119.04889	35.6
120.05185	0.6
121.06453	3.2
123.04371	0.2
124.05171	0.7
127.08624	0.2
128.06155	0.8
129.04431	0.2
129.06987	0.7
130.04128	0.2
131.04887	8.1
132.05676	8.2
133.06430	0.4
134.03568	3.4
135.04375	4.6
137.05949	1.3
139.25954	0.1
143.04897	1.2
145.02818	85.1
145.06438	1.9
146.03131	1.8
146.05940	0.2
147.04379	100.0
148.04701	2.2
149.05949	18.8
150.06604	0.4
153.06941	0.2
154.24628	0.2
157.03928	1.0
157.06465	1.0
158.05954	0.2
159.04356	1.5
160.05150	3.5
161.05928	2.0
162.03127	0.3
163.03816	1.9
163.07491	0.8
165.05479	0.3
167.06995	2.5
170.03557	1.0
173.05902	3.1
174.06752	0.3
175.03870	13.6
175.07426	0.4
176.04523	0.8
176.07010	0.2
177.05424	80.0
178.06007	3.7
178.07692	0.3
179.06972	1.6
180.07733	0.2
181.08522	0.2
184.05087	0.7
185.05934	0.4
186.03084	0.2
186.05470	1.9
189.05408	0.3
189.06964	0.3
190.07733	0.3
191.06987	2.9
192.06458	0.6
192.07878	2.9
198.03125	0.5
201.05479	1.7
203.07036	0.8
205.06488	0.4
207.06442	2.4
207.07977	0.4
208.08775	0.2
209.08057	3.1
210.08806	0.2
211.07469	1.0
213.05406	11.8
213.12627	0.2
214.05812	0.3
217.06511	0.2
217.08562	0.3
218.07227	0.7
218.11562	0.2
219.07948	1.0
221.05959	0.2
233.05896	1.0
233.09619	0.3
234.06604	0.3
235.07462	0.6
236.08200	1.0
237.08978	0.6
246.06586	0.6
246.11121	1.7
247.07596	1.1
247.11984	2.9
247.14365	0.6
248.04630	0.2
248.12668	1.2
249.05418	0.4
249.08910	0.3
251.06633	0.2
251.10608	0.4
256.05820	0.3
261.09113	0.4
262.08325	0.6
263.06830	0.2
263.13818	2.6
264.07623	0.9
264.14508	0.7
265.08417	1.0
265.15390	4.9
266.15887	0.2
271.09668	1.2
274.06177	0.2
275.06952	0.4
276.07864	0.2
277.04758	0.3
277.08493	0.6
279.10092	0.9
283.05865	0.4
288.06528	0.4
289.08719	0.3
289.11694	0.4
291.06482	2.3
291.13321	2.3
292.07132	0.8
293.07986	0.4
295.09378	0.3
303.13309	0.7
306.08524	0.2
307.09583	1.3
312.09756	0.2
317.07870	0.4
320.06180	0.2
320.09473	0.3
323.09091	2.4
325.10699	0.2
335.09058	12.4
336.09485	0.9
339.12128	0.8
341.13608	0.3
348.08606	0.3
353.10001	1.0
355.11386	0.2
356.12262	0.2
367.11661	13.7
368.12030	1.1
371.13843	0.3
389.14679	0.8
390.13181	2.3
407.15839	2.3
409.17264	0.4
422.15683	0.4
438.18607	0.2
439.18488	1.7
440.19150	1.6
441.20245	3.4
455.21750	2.4
481.19833	0.3
619.26416	1.4
631.25732	0.4
637.26880	1.0
649.26630	0.2
813.21332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02290	0.4
65.03836	0.4
67.44181	0.3
70.06502	4.9
72.08069	4.6
73.71234	0.4
74.72886	0.4
79.05396	0.4
89.03828	13.2
91.05398	9.7
95.04859	0.7
102.04607	2.3
103.05399	3.7
105.06956	1.8
106.04089	0.5
107.04926	0.4
107.99967	0.4
110.03709	0.4
115.05373	0.9
117.03320	47.3
119.04887	18.0
119.83391	0.4
121.06477	0.7
129.07008	0.6
130.04066	2.9
131.04854	4.4
132.05618	0.4
133.06439	0.5
134.03528	3.0
135.04361	3.9
137.05965	4.1
143.04869	0.9
145.02814	100.0
145.06485	1.6
146.03188	2.4
147.04381	23.4
149.05956	16.7
157.03970	0.8
158.06021	0.4
160.05168	3.2
161.05927	2.4
162.03061	0.5
162.06693	5.9
163.03883	1.0
170.03564	0.8
173.05902	2.4
175.03862	8.0
177.05420	85.6
178.05898	2.7
179.06982	2.1
186.05481	2.0
189.06987	0.7
189.32751	0.4
198.03041	0.7
201.05493	0.6
205.06458	0.9
206.07309	0.6
213.05426	11.9
217.06508	0.5
218.06967	0.4
233.05913	0.9
234.06682	2.5
236.08160	0.4
245.05914	0.9
246.11218	1.8
247.07642	0.8
247.11943	0.9
249.09013	2.7
262.06110	2.0
263.13791	2.4
264.14120	0.4
265.15356	2.4
277.08508	2.8
279.10049	0.5
290.05600	0.7
291.06332	2.6
291.13260	0.8
297.10922	0.4
305.04532	0.9
305.08020	26.4
306.08328	2.3
320.09247	0.7
323.08920	0.5
337.10550	10.7
348.08374	0.4
357.83087	0.4
367.11630	0.6
389.14713	1.7
390.13165	3.5
407.15738	2.3
425.20419	2.4
439.18201	2.0
440.18985	0.7
441.20016	0.9
451.17700	0.6
601.24817	0.6
619.25964	0.8
637.27240	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	813.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03379	5.3
57.19296	4.8
57.32863	4.6
65.04768	5.1
67.05415	10.2
69.03346	11.0
69.06988	21.8
70.06512	25.2
71.04913	12.7
75.35658	5.3
81.06976	35.7
84.08054	5.6
85.02832	100.0
89.03847	5.5
91.05399	13.0
93.06988	9.8
95.01247	13.4
95.08552	39.7
97.02831	11.6
105.06983	26.4
107.08540	39.2
109.02827	6.0
109.10112	36.6
117.03336	21.2
119.04891	24.5
119.08531	43.6
121.10106	32.7
123.07980	6.0
123.11649	12.1
127.03885	22.7
127.11138	29.7
131.08548	9.8
133.10101	30.9
135.11688	12.8
141.01839	58.0
143.08508	12.1
145.02800	67.0
145.04959	23.4
145.10094	38.8
146.06030	11.3
147.04399	22.7
147.11662	37.2
149.05980	5.3
156.09325	8.6
157.10109	7.5
159.11673	23.7
161.13232	41.6
167.06918	6.3
169.10115	9.3
170.10919	10.4
171.11668	7.8
173.13264	32.3
175.14815	10.5
177.05435	62.0
183.11665	22.8
185.13213	69.0
187.14664	39.9
191.14214	9.7
197.13234	8.9
199.14854	11.0
201.16374	13.5
203.14258	5.1
211.14731	6.0
221.60318	5.4
225.16345	7.2
234.55338	5.5
239.17943	8.2
255.57404	5.3
305.08109	10.0
373.63339	6.2
421.34729	59.3
439.35556	73.1
457.36533	40.8
502.76685	6.3
503.08813	5.9
601.41577	7.1
720.03271	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	814.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03108	0.4
57.03371	8.8
57.07010	28.9
60.08073	0.3
67.05423	5.5
69.06989	5.8
71.07285	6.7
71.08545	19.7
73.06448	0.4
75.04348	0.3
79.05402	0.4
81.06521	0.3
81.06971	7.9
83.08535	6.6
85.10103	11.3
86.09624	42.9
87.09956	0.4
89.05932	1.6
95.08527	13.0
97.06455	0.4
97.10100	3.7
99.11645	0.6
103.07484	1.7
103.83657	0.2
104.10677	4.1
109.10104	5.5
111.08009	0.3
111.11662	0.4
115.23900	0.2
117.09060	0.4
123.11643	2.3
137.13206	0.9
146.98152	69.3
147.98468	0.3
149.13245	0.3
158.67877	0.3
164.99225	1.9
184.07359	0.3
188.00885	0.4
197.55563	0.3
239.23676	1.7
257.24677	2.7
275.46744	0.3
313.27295	40.6
314.27765	1.9
335.25385	0.3
345.37860	0.2
403.34067	0.3
420.18799	0.3
459.24707	27.7
460.24960	1.6
518.32056	100.0
519.32385	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	814.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87513	0.2
60.08093	9.8
62.19285	0.2
66.53955	0.2
71.07294	3.8
73.06866	0.3
79.89205	0.2
79.92297	0.3
80.16453	0.3
81.06966	0.4
83.30455	0.3
86.09628	45.2
92.10236	0.6
98.98401	3.4
104.10683	2.8
118.39399	0.3
124.99966	32.6
135.35837	0.3
143.01053	0.7
184.07307	100.0
185.07599	1.6
203.73990	0.3
220.40356	0.3
251.48883	0.3
355.91833	0.3
385.02652	0.3
507.60449	0.4
524.49884	0.3
778.53601	14.9
779.54346	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	818.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07010	54.3
64.33538	3.0
69.06989	6.6
71.08541	41.5
73.06476	5.4
74.58520	2.5
83.08575	3.9
85.10086	23.9
86.09621	13.0
87.04398	18.2
89.05953	100.0
95.08567	2.7
96.71648	2.3
97.10088	4.1
107.07004	6.9
117.09113	4.3
124.99998	3.8
130.08647	3.7
133.08560	31.8
164.82651	2.8
167.36041	2.7
177.11227	15.2
184.07300	14.1
238.15533	3.0
299.29343	4.5
343.32257	4.2
583.62323	3.5
801.58215	4.7
818.60034	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	819.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03859	0.5
70.06522	1.4
71.04887	0.2
72.08072	7.1
74.29347	0.2
80.37909	0.2
89.10720	1.5
91.04821	0.3
91.05402	8.2
95.04918	0.2
98.05989	3.4
103.05359	0.3
109.02835	0.8
115.08633	3.2
117.03307	0.5
119.04894	23.0
120.05231	0.4
121.06364	0.2
133.02792	1.3
135.04413	0.2
137.05952	3.0
141.94576	0.2
145.02823	0.9
146.05965	0.3
147.04387	100.0
148.04718	3.0
149.05965	0.3
150.06671	0.5
157.03935	0.3
158.39827	0.2
159.04404	0.3
161.05968	0.9
162.05438	0.8
163.03841	1.6
173.05811	0.4
174.03065	0.2
175.03856	1.7
177.05434	2.5
186.03069	1.2
187.03793	1.5
191.03358	0.3
191.06924	0.2
194.07228	0.2
195.33559	0.2
201.05402	2.7
205.04790	0.3
205.06409	1.6
206.07181	0.3
206.11748	0.2
217.13295	0.3
218.11734	2.7
219.08069	0.3
222.06717	1.4
223.07503	0.2
227.07040	0.3
233.05908	2.4
234.06783	0.4
235.07469	0.9
235.14348	8.0
236.08002	0.2
236.14546	0.3
237.09023	1.2
239.07072	0.2
247.07585	0.3
248.04622	0.3
249.05389	1.2
250.06143	1.9
251.06792	0.4
261.05283	0.3
261.12292	7.5
263.06931	1.4
264.07782	1.3
265.05399	2.0
265.08475	3.8
267.06351	0.3
275.06882	0.2
276.04156	0.4
277.04843	0.4
278.05646	1.6
279.06500	0.4
279.09879	0.2
280.07312	1.0
282.08868	0.9
289.11902	0.3
291.06583	1.5
292.07211	4.2
293.04410	3.3
293.08017	3.7
295.05823	0.3
295.09540	0.5
297.11169	0.8
304.03583	0.5
307.09570	6.8
308.06708	25.6
309.07101	1.3
319.05927	1.4
323.09076	5.1
325.10693	8.7
336.06189	2.1
351.08551	16.7
352.08853	1.2
413.20505	1.6
421.17590	0.3
422.16028	4.3
439.18518	8.9
440.18710	0.4
527.28571	0.4
559.24347	4.3
585.22229	4.3
655.30731	0.3
673.32153	19.1
674.32477	1.9
801.34320	0.2
819.35931	3.9
820.35254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55119	0.2
63.92896	0.2
65.03850	1.4
70.06502	1.4
72.08070	12.2
72.09500	0.2
74.20769	0.2
74.97215	0.2
81.03323	0.2
82.38169	0.2
84.04426	0.3
89.03812	0.2
91.05405	15.2
92.05727	0.3
98.05977	0.8
99.09126	0.3
111.04429	0.2
117.03322	0.5
119.04894	36.2
120.05250	0.9
127.03845	0.2
136.50082	0.2
145.02824	0.8
146.06024	1.1
147.04385	100.0
148.04739	3.6
149.04880	0.2
162.05466	2.0
163.05571	0.2
164.10487	0.2
172.05002	0.2
175.03864	0.4
177.05496	1.1
182.02498	0.2
191.06981	1.0
201.05388	17.9
202.05714	0.3
207.06419	0.4
217.13347	0.3
218.11714	4.9
220.05124	2.7
226.05054	0.3
234.06514	0.3
235.07495	9.8
235.14346	1.8
236.07837	0.3
237.05391	0.3
237.09004	1.3
241.03683	0.3
244.05847	0.3
248.04634	2.7
249.05383	0.3
250.06207	0.5
251.06992	0.4
252.07709	0.3
256.05969	12.1
262.24677	0.2
263.06976	18.1
264.07501	2.1
265.04968	2.5
265.08511	2.5
266.09293	0.3
276.03983	0.3
277.04977	0.2
277.08478	0.4
280.07227	6.6
281.07614	0.3
282.02802	0.3
282.08798	1.3
291.06454	19.6
292.06744	1.3
295.09595	1.6
296.10327	1.4
297.11270	0.9
298.10764	3.2
299.09186	0.5
308.06732	2.8
309.11063	0.5
312.06125	0.3
313.10672	3.5
315.13528	0.7
320.40823	0.3
323.09073	65.8
324.09348	3.8
327.08438	0.9
341.11337	1.1
352.11667	0.3
369.09644	0.3
379.13858	0.2
394.16415	2.7
411.13492	0.3
411.19055	6.4
421.17395	1.0
422.15884	10.5
423.16199	0.8
437.16583	0.4
439.18546	35.2
440.19009	2.9
465.16617	0.7
557.22693	7.3
558.22742	1.0
585.22192	26.4
586.22809	3.5
673.32501	2.1
674.31647	0.4
819.34698	0.4
824.33014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95568	3.1
62.16449	3.1
67.05411	25.7
69.06966	4.6
71.07273	14.1
79.05402	7.2
81.06963	21.9
81.69172	2.9
86.09621	57.4
95.08518	16.2
95.40733	3.5
105.06937	5.0
109.10120	3.7
124.99943	4.8
139.60493	3.2
140.46912	3.6
146.98146	26.4
184.07204	4.1
246.40182	3.2
247.03752	3.6
346.67758	3.4
637.47827	100.0
699.77570	4.2
754.88788	3.6
761.47192	72.2
761.60168	6.8
762.47375	5.4
820.54138	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.6367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06538	0.9
60.08092	17.0
60.08388	0.8
67.05415	3.6
69.06998	0.6
71.07288	6.8
79.05420	0.7
81.06976	3.1
84.16030	0.5
86.09623	59.6
91.05408	0.5
95.08537	2.7
98.98387	3.9
104.10677	90.9
105.11024	0.9
107.08567	0.6
124.99958	33.7
143.01044	0.6
158.55418	0.5
163.01515	0.5
174.42468	0.5
174.57359	0.5
184.07294	100.0
185.07602	1.0
258.10907	0.7
258.24423	0.5
299.70819	0.4
304.86166	0.4
337.26959	0.5
489.67145	0.5
502.32730	5.3
520.33856	60.7
521.34253	5.8
522.86292	0.6
598.70081	0.5
635.70801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88486	0.5
69.03334	1.9
70.06495	2.4
72.08068	1.0
74.23892	0.4
81.03336	7.4
84.08043	0.6
85.02834	1.1
91.05356	0.6
97.02818	2.9
99.04379	0.6
109.02828	9.9
111.61898	0.5
119.04885	0.8
127.03851	4.3
128.04892	0.8
129.10216	0.5
132.04410	2.3
134.05981	1.1
145.02823	0.9
146.05984	100.0
147.04430	3.5
147.06355	3.7
162.05461	72.0
163.05832	2.0
174.05469	12.7
174.84253	0.4
175.03879	0.8
177.05414	0.7
178.66690	0.4
181.68076	0.4
186.05402	0.5
190.04961	7.8
191.58824	0.4
192.06496	5.1
204.06558	0.9
207.06418	0.7
208.05997	3.4
216.03581	0.4
240.66199	0.5
254.08064	2.2
270.07681	1.0
282.02731	1.9
300.08591	2.5
304.06949	0.5
315.97772	0.5
316.07983	3.5
318.09766	4.0
325.66486	0.5
334.09058	1.9
336.10788	2.8
352.10233	4.3
355.58142	0.5
407.53809	0.6
426.11603	0.5
552.64417	0.6
615.15723	0.8
651.18665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84644	0.3
64.10857	0.2
65.03868	0.3
69.03352	1.3
70.06523	2.6
72.08071	0.5
72.30352	0.3
73.22398	0.3
74.05978	0.3
77.00553	0.3
81.03337	5.8
83.04918	0.3
84.04449	0.5
84.08064	1.4
85.02841	1.4
91.05411	0.5
92.10851	0.3
97.02850	2.4
99.04398	0.5
109.02830	9.2
110.07145	0.4
114.37418	0.3
116.04932	0.4
117.03331	0.7
119.04882	0.6
121.02833	0.4
124.03929	0.5
127.03886	4.8
128.04942	2.0
129.10252	0.7
132.04430	1.8
134.05963	1.6
135.94731	0.3
136.06178	0.6
140.70377	0.3
144.04428	0.5
145.02832	2.2
146.05989	100.0
147.04393	1.8
147.06369	2.7
148.03804	0.3
162.05470	61.7
163.03845	1.2
163.05827	2.1
174.05469	11.0
175.03848	0.5
177.05449	3.1
188.07030	1.2
190.04970	8.9
192.06517	6.1
204.06509	0.4
207.06511	0.6
207.18542	0.3
208.05965	2.9
220.09750	0.3
246.07588	0.5
250.07056	0.4
254.08031	3.6
264.01700	0.3
264.08432	0.4
270.07599	0.6
282.02753	0.5
300.08691	3.2
316.08154	3.6
318.09665	3.7
334.09122	2.5
336.10590	2.8
352.10217	3.0
489.12576	0.5
615.15588	0.6
651.18011	0.4
652.17548	0.5
669.18561	0.4
823.31775	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	824.26
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73422	0.5
67.01440	0.7
67.01787	21.7
69.51875	0.5
70.06496	4.5
71.04899	4.3
79.05392	0.7
81.03323	10.3
85.02834	4.3
89.03841	6.6
91.05404	0.8
92.10284	1.8
97.02823	3.1
99.04376	9.0
103.64237	0.7
107.04898	2.0
109.02822	28.9
110.07119	0.7
117.03329	11.3
127.03870	69.0
128.04199	0.9
130.06525	0.7
135.04382	20.1
145.01714	1.3
145.02815	31.6
146.03180	0.7
146.05972	6.0
147.04346	1.0
149.05956	1.4
157.01224	0.6
162.05447	4.2
163.03857	100.0
164.04172	2.4
169.04938	1.3
177.03900	0.8
177.05428	18.2
178.05835	1.6
195.42505	0.5
218.20502	0.6
259.09378	0.7
260.04083	0.6
289.06897	12.9
303.08478	0.7
501.13821	14.4
502.14157	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	825.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80983	0.1
69.03339	0.9
70.06509	0.5
72.08058	0.7
78.04201	0.1
81.02914	0.2
81.03340	3.3
82.02789	0.1
84.08083	0.2
85.02820	0.4
91.05406	0.3
97.02811	1.2
99.04379	0.2
103.02750	0.1
105.76985	0.2
107.75648	0.2
109.02828	5.8
111.04425	0.1
116.04900	0.7
118.03400	0.1
119.04911	1.1
119.55327	0.2
121.02898	0.2
121.48904	0.2
124.00366	0.2
127.03872	2.0
134.05980	2.2
144.04405	1.6
145.02797	0.3
145.05019	0.2
146.05991	1.5
147.04391	2.3
148.03886	1.1
161.04733	0.2
162.05466	100.0
163.03793	0.2
163.05838	2.3
174.05469	0.6
181.33739	0.1
186.05405	0.2
188.03352	0.3
190.04942	10.0
191.05334	0.2
200.07072	0.2
204.06566	0.8
208.06006	5.5
224.06990	0.3
226.08363	0.2
228.06630	0.2
242.08064	0.2
252.06535	1.3
262.07104	0.7
270.07556	2.6
280.08133	0.3
282.02802	0.3
298.07178	1.1
316.08026	4.2
334.09174	3.9
335.23444	0.2
352.10220	2.7
389.57996	0.2
424.10178	0.7
438.13962	0.2
442.11246	1.0
452.21948	0.3
513.15649	0.2
601.16602	0.6
631.14746	0.3
649.16248	0.2
667.17297	0.8
807.72076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33655	0.2
65.03849	1.1
70.06503	1.4
72.08067	21.5
75.09135	0.5
83.14070	0.3
84.04450	0.4
84.08065	1.1
90.38179	0.2
91.05411	6.7
97.02814	0.4
109.02867	0.3
112.11175	2.9
112.79951	0.3
119.04889	19.6
120.05270	0.3
124.03928	0.5
129.10144	0.3
129.13829	1.6
135.46141	0.3
145.02792	0.7
146.05988	4.2
147.04384	100.0
148.04762	2.4
149.23235	0.3
155.11769	0.6
162.05467	3.4
169.72214	0.3
174.05464	0.5
177.05403	1.4
201.05417	0.6
203.11761	4.0
204.10162	47.4
205.10435	0.7
207.65663	0.3
218.11743	2.5
221.12799	3.7
246.14857	1.6
256.06024	0.5
274.19055	2.7
275.17514	7.9
276.17831	0.4
292.20120	15.2
293.20404	0.6
323.09158	1.2
367.16632	0.6
421.21136	0.5
438.23773	42.7
439.18503	1.9
439.24060	3.4
722.78290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92279	0.2
60.08080	0.2
60.66676	0.2
63.69223	0.2
64.22839	0.2
65.74425	0.2
69.03349	3.1
70.06509	1.1
71.04942	0.3
71.07924	0.2
72.08080	0.3
78.03384	3.1
80.04945	0.9
81.03342	6.9
84.08057	0.3
85.02822	3.1
89.03819	0.2
91.05419	0.5
91.61932	0.2
92.10184	0.4
96.04408	3.1
97.02817	3.2
97.09110	0.2
99.04375	1.0
106.02866	17.9
106.06470	0.3
107.04900	0.3
109.02836	6.4
113.31016	0.2
116.04944	1.5
117.03309	1.1
121.75043	0.2
124.03916	40.5
125.04292	0.4
127.03862	2.4
127.72470	0.2
129.10165	0.3
134.05988	3.7
135.04326	0.2
144.04395	2.1
145.02832	3.6
146.06003	3.2
146.29721	0.2
147.04402	1.3
147.06427	0.2
148.03871	0.5
149.05972	0.3
150.05453	0.4
151.03909	0.5
156.68617	0.2
162.05479	100.0
163.03857	0.3
163.05812	2.4
166.05029	0.3
174.05484	0.4
175.03893	0.3
177.05446	5.6
178.05885	0.3
186.05476	1.2
190.04968	8.3
204.06575	1.1
207.06532	0.3
208.06015	4.1
232.06082	0.3
250.07103	2.0
250.82503	0.3
262.06982	0.4
267.06430	0.2
268.08115	16.0
270.07693	0.3
282.02719	0.4
316.07956	0.4
334.09195	1.8
352.10281	1.4
357.84882	0.3
400.78445	0.2
429.12787	4.0
457.06329	0.3
457.11792	1.5
475.13354	2.3
517.13745	0.3
583.15375	1.4
601.07501	0.5
601.16559	11.2
602.17029	0.9
619.17603	7.0
620.17572	0.3
826.22827	5.5
827.23047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03870	0.3
66.39783	0.3
69.03347	3.4
70.06493	1.9
71.04910	1.5
72.08063	0.7
78.03371	3.8
80.04918	0.4
81.03337	6.7
84.08059	0.7
85.02839	3.6
86.09602	0.5
89.03787	0.4
91.05402	1.3
91.49884	0.3
96.04432	3.0
97.02825	3.5
99.04378	0.6
100.70382	0.3
106.02860	20.3
109.02826	8.4
116.04945	0.7
117.03326	0.4
119.04872	1.3
124.03914	40.3
127.03872	2.8
134.05984	4.1
144.04419	1.5
145.02811	1.8
146.05988	18.4
147.04384	2.4
147.06320	0.5
148.03976	0.6
151.03902	0.4
161.05962	0.4
162.05470	100.0
163.03842	0.5
163.05824	3.2
174.05446	1.9
175.03934	0.6
177.05421	2.0
178.75157	0.4
186.05455	0.6
188.07040	0.6
190.04955	9.2
192.06503	0.7
204.06560	1.8
207.06528	1.4
208.05977	4.2
250.06886	2.8
251.77545	0.4
268.08109	15.5
269.08380	0.4
270.07614	0.4
300.66251	0.4
316.08081	0.8
331.45309	0.3
334.09106	1.8
352.10184	1.4
429.12619	3.5
457.12158	0.7
475.13098	1.4
527.02570	0.4
583.15277	0.7
601.16425	9.2
602.15973	0.4
619.17590	8.3
826.22821	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	826.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00371	0.2
61.99221	0.2
69.03353	3.1
70.06485	0.5
71.04896	0.3
73.02831	0.2
76.04739	0.2
78.02967	0.3
78.03366	3.5
80.04930	0.4
81.03335	6.7
85.02824	2.8
89.03800	0.4
91.05415	0.9
96.04417	3.1
97.02821	2.6
99.04363	1.3
106.02858	21.5
109.02826	7.1
116.04926	0.9
117.03344	1.8
119.04845	0.5
124.03912	40.3
125.04227	0.3
127.03869	2.6
134.05969	4.7
144.04401	1.6
145.02829	4.6
146.06003	2.4
147.04404	1.8
148.03923	1.0
149.05936	0.4
151.03911	0.4
161.04630	0.3
162.05467	100.0
163.05838	2.8
166.04929	0.2
174.05444	0.2
175.03893	1.0
177.05447	5.0
186.05505	0.8
190.04950	8.5
196.06084	0.3
204.06523	1.0
207.06519	1.3
208.05991	3.9
239.06932	0.3
250.06992	2.1
262.07117	1.0
267.06512	0.4
268.08099	16.4
270.07556	0.8
282.02786	0.5
285.07336	0.3
316.08289	0.2
334.09171	1.4
352.10229	0.5
429.12820	3.3
447.76614	0.2
457.12299	1.2
465.09222	0.3
469.95187	0.2
475.13367	2.7
510.70566	0.2
517.14124	0.4
583.14935	1.1
591.30139	0.3
601.16357	8.9
602.16815	0.4
619.07886	0.4
619.17590	7.7
620.18286	0.3
759.96088	0.3
760.42859	0.2
776.55206	0.2
780.15063	0.3
817.37073	0.3
826.22754	7.3
827.22559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83770	0.3
69.03344	3.3
70.06509	1.3
71.47722	0.3
72.08062	0.5
73.02809	0.5
78.03354	3.4
79.67636	0.3
80.04915	0.4
81.03339	6.9
84.04434	0.4
84.08070	0.5
85.02832	2.7
89.03807	0.6
91.05405	0.5
91.13375	0.3
96.04412	3.5
97.02814	3.8
99.04378	0.7
106.02859	18.8
109.02833	9.2
110.61368	0.3
116.04910	0.8
117.03295	0.5
119.04887	1.4
124.03911	39.2
127.03860	2.7
131.08447	0.3
134.05981	4.5
144.04436	0.6
145.02827	1.5
146.05992	27.6
147.04384	3.4
147.06389	0.3
148.03886	0.5
150.05516	0.3
151.03906	0.6
158.06079	0.3
161.04755	0.4
162.05470	100.0
163.05812	4.4
174.05479	3.3
175.03896	0.5
177.05382	2.7
186.05452	0.7
190.04947	9.8
192.06522	1.4
204.06520	1.7
207.06462	0.6
208.05957	3.4
234.07602	0.4
250.07129	2.6
254.08165	0.5
262.07077	0.7
268.08105	15.7
268.10968	0.5
269.08344	0.3
282.02399	0.3
300.08603	0.7
316.08105	2.0
318.09900	0.5
334.09180	1.3
336.10617	0.7
352.10031	1.6
416.54636	0.4
416.60309	0.4
429.12735	3.7
457.12689	1.1
475.13165	1.3
583.15607	1.4
601.16492	9.0
602.16656	0.6
619.17798	7.2
620.17761	0.7
651.18329	0.5
687.21771	0.5
695.26196	0.4
826.23102	5.9
827.22772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04935	6.2
61.02859	3.9
67.05431	4.6
69.03351	9.4
69.06989	6.4
70.06496	0.4
71.01275	0.8
71.04903	4.5
71.08546	0.5
73.02448	0.4
73.02822	3.7
79.05405	3.2
81.03333	3.4
81.06975	10.0
83.01257	0.4
83.04904	1.5
83.08554	3.8
85.02828	44.7
85.06472	2.4
86.09618	0.6
87.04401	1.6
89.03809	0.5
90.57699	0.3
91.03883	2.1
91.05377	4.6
92.10887	0.7
93.06969	9.4
95.01251	14.1
95.08532	18.4
97.02822	13.8
97.03445	0.5
97.06457	5.3
97.10101	12.3
99.00742	0.8
99.04382	2.3
99.08020	1.8
101.02328	0.6
101.05949	1.7
103.03886	1.8
105.06967	10.1
107.08538	22.3
108.08875	0.5
109.02827	4.4
109.06475	1.7
109.10106	13.6
110.84678	0.4
111.08077	0.5
111.11604	0.4
113.02309	2.6
113.09573	0.4
115.07501	1.3
117.03336	0.6
117.06963	2.0
119.04893	0.4
119.08532	22.4
121.10093	16.1
121.10915	0.7
123.00748	0.5
123.08024	2.0
123.11647	6.9
125.09583	12.7
127.03866	8.8
127.11165	3.8
129.06993	1.5
131.03368	0.7
131.08539	7.2
133.10097	11.1
135.08049	0.4
135.11659	13.2
137.09598	3.6
137.13257	1.8
139.11134	1.3
141.01805	30.3
141.06932	0.4
141.09074	1.6
142.02116	0.7
142.07776	1.5
143.08565	9.1
143.10654	12.3
144.09334	0.5
145.02809	2.7
145.04933	10.5
145.10098	14.7
146.03265	0.4
146.06021	0.5
147.04437	2.0
147.11665	14.9
149.06052	0.5
149.09618	0.4
149.13235	5.8
151.11148	0.6
155.08539	2.0
156.09326	2.4
157.10095	8.2
158.10812	0.8
159.02878	2.6
159.11659	17.3
160.12309	0.4
161.13223	18.3
162.05429	0.7
163.06010	3.1
163.11081	0.5
163.14766	5.3
165.12721	2.6
167.08487	0.6
167.31737	0.4
168.09337	0.5
169.10063	5.9
170.10858	4.8
171.11667	10.4
172.12268	0.6
173.13235	14.0
173.14656	0.7
175.14774	7.6
177.04010	0.7
177.05460	3.4
177.12735	0.8
177.16373	0.5
178.05800	0.5
179.14302	6.1
181.10051	0.7
182.10899	0.5
183.11664	10.3
184.12202	0.7
185.13222	38.9
186.13634	0.6
187.11105	0.4
187.14784	11.9
189.12737	0.7
189.16322	3.8
191.14291	7.3
195.11685	1.4
196.12405	0.6
197.13205	5.4
197.15012	0.5
199.14792	7.6
201.16362	9.9
203.14302	2.1
203.17921	0.9
205.15871	1.8
207.11726	0.5
209.13242	2.7
210.14017	0.6
211.14754	5.9
212.15533	0.6
213.16344	4.8
214.16812	0.4
215.17975	1.8
217.15897	0.7
219.17403	3.0
223.14804	2.3
224.15617	0.6
225.16367	6.6
227.17941	2.4
229.15797	0.7
229.19545	1.5
231.17455	0.6
235.14821	0.5
237.16316	1.8
237.18489	2.1
238.17133	0.5
239.17918	6.4
240.18451	0.6
241.10904	0.4
241.19473	3.9
243.17377	0.5
243.21149	1.5
245.18916	0.5
247.20499	0.8
249.16234	0.6
251.17926	1.6
253.19363	3.1
257.18979	3.5
259.20593	0.7
263.20245	0.9
265.19492	1.6
267.20959	2.6
275.20111	0.7
277.21542	1.5
279.21005	2.8
281.22653	1.5
285.22214	0.7
293.22693	0.7
294.23541	0.5
295.24106	2.4
297.22034	0.4
311.23700	0.7
313.25208	0.8
321.08008	1.9
323.27310	0.8
323.93167	0.4
333.25754	0.8
335.27374	2.5
337.28925	0.5
351.26831	1.5
361.28497	0.4
369.03339	0.4
369.27817	1.5
383.29840	0.4
397.30972	0.6
401.32162	0.8
419.32999	6.8
422.31772	0.6
437.34082	39.1
438.34384	2.0
455.35104	100.0
456.35388	7.0
473.36066	3.0
474.19199	0.4
576.11450	0.4
736.82849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77257	3.2
67.05423	6.6
69.03355	7.3
69.06981	20.7
70.06504	14.1
71.04898	13.3
72.08064	7.4
78.66418	2.8
79.05396	5.4
81.03304	6.1
81.06968	18.6
83.08531	7.6
84.08041	3.3
85.02827	71.1
86.09603	5.0
91.05393	12.5
93.06979	19.7
95.01245	16.4
95.08534	41.7
97.02822	17.7
98.30830	2.9
103.03867	3.6
105.06991	23.8
107.08529	45.0
109.02843	5.5
109.10090	44.1
119.08540	48.0
121.10108	33.1
123.11655	14.7
127.03866	25.9
127.11141	29.3
131.08533	18.0
133.10062	24.4
133.45055	3.4
135.11664	22.6
137.13225	3.7
141.01804	51.4
143.08522	7.7
145.02820	5.1
145.04884	14.0
145.10098	32.3
146.06026	13.1
147.04395	5.4
147.11635	26.4
149.13228	5.6
154.07582	3.4
157.10054	12.9
159.11681	20.7
161.13234	38.0
162.05472	3.5
163.03934	3.4
163.05899	3.2
163.14706	13.6
169.10126	12.2
170.10873	5.7
171.11600	22.6
173.13145	29.5
175.14832	7.4
177.05438	6.4
179.14294	5.9
183.11652	16.6
185.13202	71.5
187.14772	34.9
189.16269	4.4
191.14294	7.1
195.11635	3.9
196.12521	4.1
197.13179	4.7
199.14841	5.3
201.16339	18.8
211.14796	7.6
213.16325	5.3
215.17717	3.6
225.16306	12.0
239.17760	12.7
347.87051	3.4
403.33539	5.8
421.34546	71.6
422.34744	6.1
439.35620	100.0
452.38123	4.0
457.36594	71.0
458.36749	6.5
475.37469	4.8
601.40631	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	833.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04479	0.4
69.03342	0.4
70.06515	4.3
72.08076	3.9
77.72839	0.3
79.05404	3.9
81.03331	2.9
81.06974	0.7
81.65563	0.4
83.25790	0.3
84.08076	1.5
85.02866	0.4
86.09637	0.7
89.03835	7.0
89.10706	1.8
91.05405	3.2
92.10882	0.5
93.06968	1.6
95.04899	1.4
100.12938	0.4
105.03323	0.9
105.06982	2.0
107.04906	7.9
107.08546	0.6
109.02828	0.7
115.05399	0.4
115.08662	0.4
117.03333	22.8
119.04890	0.7
119.08534	1.5
128.06197	2.4
129.06955	1.6
129.10185	0.4
134.03606	0.9
135.04387	2.2
141.06860	0.4
142.07761	1.8
143.08539	4.5
145.02831	73.8
145.10016	0.6
146.03137	2.2
146.23393	0.4
147.04404	0.8
149.05954	8.5
155.08530	0.8
156.09358	0.5
157.10124	4.7
170.10829	0.7
171.08031	6.9
177.05441	100.0
178.05754	3.6
180.09303	0.5
185.13211	3.1
186.05412	0.7
198.10391	0.8
203.14372	3.0
213.12721	46.3
214.13052	1.7
226.48520	0.4
231.13757	2.9
247.14417	0.4
248.12799	4.0
265.15417	16.5
266.15759	0.7
291.13342	2.5
357.16885	2.9
375.17892	3.6
390.21454	0.4
441.20142	31.3
442.20593	2.7
639.33118	2.7
657.32892	0.6
815.36523	0.5
833.27631	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01510	1.9
58.25499	2.3
61.11000	2.3
64.33668	2.0
67.05434	46.8
69.06983	14.2
71.08553	20.1
79.05404	13.4
81.06976	50.2
83.08545	11.8
85.10113	9.5
91.05402	4.3
93.06973	9.6
95.08537	41.1
97.10090	3.6
107.08543	4.3
109.10143	15.0
123.11681	3.2
162.01003	2.2
224.09761	2.5
328.86591	2.3
358.89240	2.2
575.50189	100.0
576.50665	16.1
626.91779	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	835.6805
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63039	1.5
67.05074	3.7
67.05427	93.5
67.05788	3.8
68.05764	2.4
69.06993	20.4
71.04899	2.7
71.08542	7.8
71.24242	1.5
79.05405	31.8
81.06975	100.0
83.08541	14.2
86.09621	11.2
91.05402	18.0
93.06966	30.9
95.04897	2.4
95.07962	3.5
95.08533	74.7
97.06454	2.2
97.10102	7.8
105.06961	20.2
107.08530	25.2
108.73058	1.6
109.10102	21.5
117.06950	7.4
119.08539	26.4
121.10080	12.7
123.08004	2.4
123.11646	9.9
127.59898	1.8
129.06960	7.8
131.08542	23.1
133.10101	11.5
135.11678	8.5
137.13254	9.0
141.06989	2.1
143.08546	11.9
145.10103	18.1
146.98151	7.8
147.11662	7.9
147.61328	1.7
149.13223	3.7
155.08508	3.9
157.10144	10.4
159.11694	7.5
161.13249	7.9
169.10097	7.4
171.11639	4.0
173.13216	8.9
173.32481	1.7
175.14816	8.3
181.10182	1.9
183.11710	3.6
184.07361	1.9
187.14816	4.2
197.13284	2.3
199.14705	7.4
201.16307	2.6
209.13240	2.3
211.14742	3.4
213.16258	3.3
225.16307	3.2
229.19218	1.9
243.20862	2.5
267.40054	1.8
279.23215	25.6
313.27374	3.3
343.54050	2.0
447.34601	2.1
459.24469	2.9
518.31787	11.2
557.45551	3.5
559.45245	2.3
743.70398	2.3
817.66125	2.6
835.67950	62.5
836.67236	9.1
861.19824	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03874	0.7
67.01791	1.4
69.03352	13.1
70.06516	2.7
71.04895	3.8
72.08075	2.8
81.03340	44.8
85.02838	13.2
89.03867	1.2
91.05408	1.5
97.02830	18.7
97.03437	0.7
97.78604	0.7
99.04379	7.1
108.04411	3.8
109.02835	100.0
115.08656	0.7
117.03336	5.3
119.04892	4.5
127.02945	1.3
127.03880	39.9
130.06468	1.2
137.05922	4.4
139.03880	3.8
145.02832	19.1
145.04979	1.2
146.03149	1.3
146.05991	5.6
147.04395	8.0
149.05966	2.6
152.10649	1.0
156.04280	0.8
162.05466	7.0
163.03838	1.2
163.46837	0.7
169.04871	7.2
171.06532	1.0
172.71547	0.7
175.03989	1.0
175.07495	0.9
177.05431	26.1
178.05765	3.8
179.68071	0.8
181.04932	14.9
181.68314	0.7
182.05255	1.3
187.05978	7.3
190.04944	0.8
191.06854	0.9
201.05418	1.5
207.06424	0.8
220.05154	3.0
221.05939	1.3
222.06581	0.8
229.06931	3.5
234.06621	1.0
235.07510	9.7
237.09085	4.5
245.04388	2.8
247.07846	3.2
248.04642	3.0
249.05350	3.1
250.05942	1.2
263.06982	17.7
264.07672	1.4
265.04941	4.6
265.08466	7.6
266.05811	1.2
266.08908	1.1
279.06390	1.3
280.07254	5.9
282.02695	0.9
282.08774	1.2
291.06427	5.4
291.13358	1.6
293.04407	1.1
296.10425	1.1
297.07971	1.0
297.11163	3.6
307.05942	3.5
308.06689	3.2
309.07605	5.9
310.07968	1.0
313.10596	1.7
322.08191	5.5
323.09082	44.1
324.09445	3.0
325.06842	0.8
340.09351	37.8
341.09927	4.2
359.22763	0.7
425.16837	1.7
431.10892	3.0
449.12231	19.3
467.13446	1.4
513.13922	6.5
524.16522	0.8
527.15259	0.9
555.14996	8.6
641.26825	1.4
688.19763	0.8
752.16333	0.8
801.22308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.6328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58495	0.4
60.08097	16.5
64.33479	0.4
67.05422	2.6
69.06993	1.6
71.07287	5.2
79.05423	0.4
81.06973	2.8
86.09624	59.7
93.06996	0.5
95.08533	2.4
98.98368	3.5
104.10677	89.6
105.11052	0.9
114.37840	0.5
124.99960	31.4
143.01083	0.7
163.01569	0.8
184.07300	100.0
185.07625	1.0
337.26855	0.6
338.01639	0.4
338.44827	0.4
384.98206	0.5
502.32858	6.0
520.33893	63.6
521.34375	3.7
539.62543	0.4
856.21851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02307	0.2
64.33107	0.2
66.70008	0.2
67.01788	1.0
68.99698	0.2
69.03326	0.4
70.06503	0.8
71.04911	0.2
81.03339	6.5
84.08076	0.2
85.02818	1.0
89.03841	5.5
89.91338	0.2
91.05412	0.3
97.02831	1.8
99.04391	2.9
103.05431	0.2
109.02835	11.5
117.03335	18.8
118.03625	0.3
119.04895	0.3
124.05170	0.2
127.03868	6.5
134.03629	1.4
135.04387	2.0
141.48225	0.2
145.02829	65.8
146.03149	2.3
147.04404	0.4
149.05963	7.7
150.06284	0.3
151.03954	0.2
162.03101	0.2
163.03865	0.7
169.04929	10.3
170.05238	0.2
175.03879	0.4
177.05440	100.0
178.05746	3.7
186.05476	1.1
187.05943	0.4
214.06500	0.2
215.07019	0.2
220.99036	0.2
221.04507	0.3
285.07513	1.8
303.08575	7.1
345.09653	8.9
346.09747	0.3
444.99088	0.2
515.15503	2.5
557.16443	5.0
558.16638	0.7
592.79987	0.2
641.73981	0.2
765.46143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02299	0.2
67.01791	2.3
69.29355	0.2
71.04909	0.5
81.03339	4.7
85.02809	0.9
89.03833	3.5
97.02799	1.5
99.04375	1.1
103.05389	0.2
109.02824	14.5
117.03323	16.1
118.03614	0.4
127.03874	11.2
134.03583	1.0
135.04378	1.4
139.03882	0.2
145.02815	55.5
146.03203	1.6
147.04355	0.3
149.05948	6.6
163.03853	0.4
169.04922	1.0
169.22211	0.2
175.04280	0.2
177.05424	100.0
178.05777	3.4
186.05435	0.4
191.89520	0.2
229.91827	0.2
243.06454	0.2
259.09427	0.2
285.07355	1.0
303.08551	15.7
304.08865	0.8
515.15332	10.5
516.15570	1.2
649.98254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51070	0.2
67.01777	1.1
67.05441	0.4
69.03348	1.6
70.06495	0.4
70.70659	0.2
71.04905	1.4
75.84621	0.3
78.04625	0.3
79.05404	0.3
79.37432	0.2
81.03333	10.3
81.06962	0.4
85.02833	1.7
89.03839	4.9
91.05399	0.4
93.06965	0.5
97.02818	1.4
97.21960	0.3
99.04385	9.6
103.05441	0.4
109.02831	14.1
117.03330	23.5
118.03617	0.4
127.03873	30.0
134.03600	1.5
135.04391	2.1
135.07915	0.2
145.02824	71.2
145.04884	2.6
146.03171	1.7
147.04352	0.5
149.05956	9.0
151.11243	0.3
157.31602	0.3
159.84439	0.3
163.03880	0.3
169.04929	13.4
175.03802	0.3
177.05434	100.0
178.05768	2.5
186.05482	1.1
187.05966	2.3
229.07007	3.2
247.08028	1.2
271.13879	0.5
285.07471	2.3
303.08514	4.7
335.20676	0.4
345.09598	10.2
353.21506	0.6
385.01218	0.3
515.15369	0.3
557.16400	6.2
684.44373	0.3
743.63141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18389	0.7
61.84966	0.9
64.39275	1.0
69.03349	1.9
70.06503	8.3
70.31861	0.9
72.08046	3.7
81.03339	13.5
84.08064	1.6
85.02810	1.5
86.09605	1.0
89.03832	4.5
91.05367	1.0
93.13440	1.0
97.02812	4.1
99.04381	11.3
109.02821	16.9
117.03317	20.3
118.90535	0.9
119.04811	1.1
120.07967	1.0
121.59486	1.0
127.03874	44.5
129.26749	0.9
135.04353	1.6
145.02820	71.4
145.04762	1.8
147.04373	3.8
149.05956	11.7
152.53816	1.0
169.04898	13.1
177.05428	100.0
178.05769	1.3
181.04852	1.2
187.06006	1.8
196.24672	0.9
216.66759	1.2
229.06938	6.9
247.08034	1.3
248.30029	1.1
303.08594	5.6
304.09021	1.0
307.09457	1.0
345.09671	8.3
424.14691	1.1
469.28583	1.0
471.47018	1.0
484.31506	1.1
557.16541	2.2
838.45514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02289	0.2
66.29100	0.1
67.01794	2.1
69.03358	0.2
70.06519	0.4
71.04898	0.9
78.04618	0.1
79.05396	0.1
81.03339	7.3
84.08089	0.1
85.02824	1.6
89.03838	4.6
91.05417	0.5
92.11042	0.2
93.06999	0.1
94.86335	0.1
95.04890	0.1
96.44003	0.1
97.02824	2.6
99.04378	1.9
103.05411	0.2
109.02833	23.4
111.04402	0.1
117.03332	19.2
118.03648	0.5
119.04926	0.5
124.05133	0.1
127.03876	15.8
128.04247	0.2
131.04793	0.1
134.03587	1.2
135.04385	2.0
137.05937	0.1
139.03876	0.6
145.02827	62.7
146.03168	1.8
146.06009	0.2
147.04358	0.4
149.05960	8.3
158.06006	0.1
159.26007	0.1
162.03081	0.2
162.05377	0.3
163.03854	0.6
169.04921	1.6
177.05440	100.0
178.05780	2.9
186.05476	1.0
186.15062	0.1
187.05939	0.1
207.06485	0.1
215.07164	0.1
229.07083	0.8
243.06499	0.2
259.09595	0.2
285.07465	0.7
289.09067	0.6
296.09729	0.1
303.08578	14.3
304.08774	0.8
407.65176	0.1
515.15381	6.1
516.15558	0.5
597.09088	0.1
746.40399	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	838.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08100	6.9
63.76247	0.5
65.31441	0.7
67.05415	2.7
69.06979	4.5
71.07280	5.0
73.24557	0.7
77.15571	0.7
81.06985	0.9
83.08538	3.1
86.09622	27.7
93.06971	1.0
95.08531	3.5
97.06459	0.8
97.10084	0.9
104.10680	100.0
105.11044	0.8
109.10089	1.0
110.04700	0.7
112.47077	0.7
114.95633	0.7
124.99950	4.3
135.11652	0.6
146.98157	15.1
164.99255	1.2
184.07278	12.0
198.59367	0.6
321.55585	0.7
339.28900	10.6
346.39780	0.7
402.66449	0.7
441.23349	1.4
485.26260	28.3
486.26575	0.9
504.34372	0.8
522.35553	5.4
523.35559	3.3
544.33649	57.1
545.33777	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	839.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03357	0.8
70.06503	0.2
71.04884	0.1
81.03337	3.2
83.04897	0.2
84.04408	0.1
85.02825	0.7
87.85775	0.1
89.03806	0.1
91.05408	0.2
97.02829	1.2
99.04360	0.5
107.04901	0.2
109.02824	5.5
116.04951	0.8
116.98563	0.1
117.03328	0.1
119.04909	0.4
127.03879	2.4
128.04924	0.2
130.06619	0.1
132.04395	0.1
134.05975	2.5
136.06152	0.1
144.04433	1.5
145.02869	0.2
145.04982	0.1
146.05989	12.4
147.04378	0.6
147.06331	0.4
148.03854	1.0
161.04683	0.2
162.05470	100.0
163.03821	0.2
163.05800	3.1
174.05466	1.9
177.05479	0.3
184.07594	0.1
186.05441	0.4
188.03421	0.1
188.06972	0.2
190.04958	10.4
191.05289	0.2
192.06509	0.9
200.03371	0.1
200.07040	0.4
204.04901	0.1
204.06477	0.8
207.06473	0.1
208.04054	0.2
208.06013	5.3
224.07091	0.5
234.07465	0.1
242.08034	0.1
250.07024	0.5
252.06480	0.6
254.07912	0.2
262.07007	0.7
270.07547	2.2
274.05200	0.1
280.08246	0.5
298.07007	1.1
300.08575	0.2
316.08093	4.4
318.09610	0.4
334.09140	3.2
336.10864	0.2
352.10236	3.4
352.31296	0.1
358.09143	0.1
406.09473	0.1
424.09946	0.5
442.11060	0.9
460.12344	0.2
470.16821	0.1
493.28110	0.2
513.14636	0.2
530.95770	0.1
541.14380	0.1
601.16504	0.2
631.15057	0.2
649.16315	0.4
667.17535	1.0
713.24225	0.1
872.35083	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	841.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03841	0.5
67.05421	0.6
70.06504	2.9
72.08058	2.2
74.29992	0.4
79.64881	0.4
81.06960	0.5
84.08018	0.4
85.02831	0.7
86.09656	0.7
89.03841	9.9
91.05399	1.0
94.91950	0.4
103.65790	0.4
117.03333	33.3
118.03603	0.5
119.04942	0.4
120.00938	0.5
124.05097	0.5
131.04942	0.7
134.03604	3.0
135.04358	4.1
137.05956	0.5
145.02826	100.0
146.03151	4.2
147.04379	0.8
149.05962	11.4
153.05421	0.5
154.03752	0.4
162.03035	0.6
163.03838	0.6
165.05435	0.6
171.06482	2.4
175.03828	0.7
177.05434	96.6
178.05832	3.5
180.10182	0.5
181.04910	23.8
182.05164	0.7
186.03033	0.5
186.05449	2.1
207.06467	1.0
208.07323	2.0
225.07573	1.1
226.08298	0.6
248.12624	0.5
291.13364	0.6
338.20822	0.7
383.10977	1.1
401.12253	13.9
402.12277	0.9
417.80502	0.5
471.20834	0.6
489.22137	3.1
518.90265	0.5
631.94873	0.5
665.26880	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	841.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74253	1.4
62.67791	1.8
67.94159	1.6
70.06495	13.4
72.08070	18.5
82.82462	1.9
83.91845	1.8
86.09621	3.3
89.03815	13.0
91.05363	3.0
92.10320	3.3
98.05965	3.9
110.07035	2.0
115.08658	2.3
117.03327	40.8
135.04379	6.8
137.05923	17.5
145.02815	100.0
145.03958	3.3
146.03137	2.7
147.04359	3.6
149.05963	16.9
151.03859	8.9
161.05904	2.3
163.03885	4.3
163.07449	2.4
164.04660	2.6
167.06998	2.2
175.07457	2.2
177.05429	76.8
191.06995	2.4
286.08401	1.9
299.09143	2.9
392.46286	1.8
408.73035	1.8
424.57526	2.2
475.13828	2.0
479.33615	1.8
534.15076	42.5
535.15674	2.7
648.23602	2.4
665.26959	64.6
666.26733	7.7
841.31842	6.8
862.61194	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	842.5867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79691	0.3
65.42039	0.4
67.05427	11.4
68.97689	0.4
69.06988	25.6
71.04906	0.7
71.07288	9.3
71.08548	4.8
79.05393	5.5
81.06508	0.6
81.06970	15.2
83.04856	0.4
83.08538	16.3
84.44500	0.4
85.06464	0.5
85.10081	1.8
86.09628	54.0
93.06978	8.2
95.08533	13.0
97.06477	2.8
97.10100	8.8
104.10674	7.0
107.08530	5.8
109.10107	6.5
111.08027	1.6
111.11679	3.1
121.10098	6.4
123.11662	1.6
124.99965	0.4
125.09571	0.6
135.11655	4.0
139.11148	1.7
146.98157	74.8
149.13226	2.3
153.12640	0.4
164.99185	2.9
165.16336	0.4
184.07315	0.7
188.00810	0.6
219.07106	0.4
265.25198	1.6
339.28891	29.7
340.29160	1.6
410.46857	0.4
485.26263	28.6
486.26761	1.3
544.33636	100.0
545.33929	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	843.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06535	4.2
72.08088	1.9
75.34319	1.1
81.03384	1.7
89.03850	1.8
91.05377	1.3
109.02851	4.5
117.03347	9.6
119.04916	2.0
137.05995	6.4
145.02818	24.5
145.03802	1.4
146.04950	1.0
146.06062	5.1
147.04379	9.6
149.06038	2.1
161.06001	1.6
163.03912	1.1
177.05440	31.7
178.57568	1.2
224.28798	1.4
277.08682	1.2
282.03061	1.2
343.07831	11.6
537.13495	8.6
769.40173	1.1
836.08789	1.3
843.22974	100.0
844.22778	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	843.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06535	4.2
72.08088	1.9
75.34319	1.1
81.03384	1.7
89.03850	1.8
91.05377	1.3
109.02851	4.5
117.03347	9.6
119.04916	2.0
137.05995	6.4
145.02818	24.5
145.03802	1.4
146.04950	1.0
146.06062	5.1
147.04379	9.6
149.06038	2.1
161.06001	1.6
163.03912	1.1
177.05440	31.7
178.57568	1.2
224.28798	1.4
277.08682	1.2
282.03061	1.2
343.07831	11.6
537.13495	8.6
769.40173	1.1
836.08789	1.3
843.22974	100.0
844.22778	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	843.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64780	0.2
70.06516	0.4
73.62312	0.3
77.81306	0.2
81.03337	1.3
85.02812	0.3
86.09625	0.3
89.03836	0.6
104.40662	0.3
109.02836	2.6
117.03325	4.1
119.04941	1.1
127.03876	2.0
145.02824	10.6
146.03195	1.3
146.05984	0.7
147.04413	1.6
149.02145	0.3
149.06001	1.4
162.05511	0.4
173.17494	0.3
176.89354	0.3
177.05423	11.6
178.05862	1.9
179.06058	0.5
181.04964	0.3
181.81586	0.3
199.03696	0.3
254.86383	0.3
329.08398	3.0
343.07843	9.8
343.11768	0.4
422.65994	0.3
537.13593	6.1
555.14557	1.1
656.21582	0.4
842.34583	0.6
843.22937	100.0
844.23328	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	843.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02289	0.2
68.94515	0.2
69.44633	0.2
70.06509	3.7
72.08075	3.3
78.04623	0.8
79.05399	0.3
81.03333	0.2
81.06971	0.2
85.02850	0.2
89.03840	13.2
89.04388	0.4
91.05404	6.6
92.05727	0.2
93.06963	0.4
95.04888	1.2
97.06477	0.2
98.05975	1.1
99.09209	0.3
103.05397	2.6
104.06193	0.5
105.03345	0.2
105.06963	0.5
106.04120	0.5
107.04900	1.1
109.02834	0.2
113.23825	0.2
115.05396	1.4
115.08647	0.4
117.03331	41.6
118.03597	0.4
119.04889	9.1
121.06448	2.4
124.05165	0.4
127.03867	0.2
128.06154	0.4
129.06943	0.5
131.04903	5.9
132.05692	6.7
133.06459	0.3
134.03577	3.1
135.04402	4.7
137.05911	1.6
139.05383	0.2
143.04919	1.3
145.02826	100.0
146.03143	3.3
147.04398	7.4
148.05081	0.8
149.05963	18.2
150.06641	0.3
151.03865	0.3
157.03914	1.0
157.06473	0.5
158.05896	0.2
159.04375	1.2
160.05179	2.3
161.05986	1.9
162.03064	0.4
162.05400	0.3
163.03909	1.7
163.07512	0.3
167.07011	1.6
170.03598	0.9
173.05902	1.9
175.03877	10.7
175.07579	0.3
176.04515	1.0
177.05437	98.1
178.05965	4.3
178.07562	0.4
179.07039	1.6
179.08392	0.2
181.06464	0.2
184.05083	0.4
184.59627	0.2
185.05870	0.3
186.05455	1.9
189.07013	0.3
191.07057	1.7
191.08507	0.3
192.06270	0.5
192.06825	0.5
192.07892	2.9
198.03038	0.4
201.05432	1.1
202.07756	0.2
203.06950	1.3
205.06502	1.1
206.07149	0.4
207.06433	2.4
207.08063	0.3
209.08002	1.6
213.05429	11.4
214.05779	0.3
217.08496	1.1
218.09422	0.3
219.07974	0.3
221.09540	0.3
231.06371	0.3
232.04967	0.2
233.05914	1.1
234.06648	1.2
235.07500	1.2
237.09001	0.8
241.08527	1.2
246.06786	0.3
246.11188	1.0
247.07460	0.9
247.11996	3.1
247.14311	0.4
248.08237	0.3
248.12660	1.0
249.05444	0.4
249.09015	1.2
259.39819	0.2
262.08377	0.4
263.06943	1.0
263.13840	2.5
264.07748	0.5
264.14465	0.4
265.08441	0.9
265.15475	2.3
266.09366	0.3
269.08142	0.3
274.06119	0.2
275.07080	0.4
277.05273	0.2
277.08411	0.8
279.10165	0.2
280.03674	0.3
283.06018	0.4
289.08340	0.3
289.11768	0.4
291.06482	2.6
291.09677	0.4
291.13226	1.5
291.16443	0.2
292.07095	0.4
293.07959	0.4
301.10730	0.8
303.06332	0.4
303.13342	0.3
307.09564	2.1
308.10031	0.3
317.07928	0.5
325.10608	1.4
335.09085	11.4
336.09442	1.0
339.12186	0.4
341.13779	0.3
343.07611	0.9
353.06024	0.4
353.10110	8.4
354.10587	0.8
367.11694	13.2
367.16296	0.4
368.11832	0.8
389.14508	0.9
390.13245	2.2
403.13370	0.3
407.15887	2.3
439.18506	2.3
440.19189	1.8
441.19998	1.6
455.21652	2.0
456.84277	0.3
583.22668	0.3
649.26868	1.7
667.28827	1.9
843.23077	6.2
844.22711	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01781	1.2
70.06496	6.7
70.74754	0.9
72.08067	1.3
73.50361	1.0
74.01481	1.0
81.03347	9.7
89.03838	7.4
91.05391	1.4
97.02861	1.3
99.04390	4.8
109.02831	16.9
117.02559	1.7
117.03335	29.9
119.04875	1.4
127.03883	10.3
134.03575	1.7
135.04372	1.8
145.02831	85.6
145.20245	1.2
146.03160	4.0
147.04367	2.5
149.05988	13.9
169.04941	13.5
177.05441	100.0
178.05791	1.6
285.07477	1.8
303.08450	4.7
345.09515	6.7
383.91730	1.0
648.27905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03876	0.8
65.34744	0.6
66.95239	0.7
67.48792	0.6
70.06501	4.1
72.08055	2.3
81.03340	2.4
83.55994	0.6
86.09709	0.8
91.05399	6.1
95.04883	1.0
97.02841	0.7
105.06971	1.2
109.02831	1.1
117.03328	1.5
117.06970	0.8
119.04888	24.9
122.03606	1.5
123.04366	2.6
127.03890	0.8
130.06470	3.4
131.04832	1.4
133.06470	1.1
135.04410	0.7
137.05946	27.1
145.02802	5.4
145.06517	0.9
146.05984	1.4
147.04390	100.0
148.04738	3.5
149.05913	0.8
153.05450	1.2
159.08090	0.8
161.05875	1.5
162.05492	10.8
165.05473	1.5
167.06999	19.7
173.05893	0.8
175.07500	2.6
176.00079	0.8
177.05453	4.9
181.04955	5.3
189.09117	1.1
191.07018	1.5
201.62723	0.6
203.07094	0.9
205.08510	0.9
217.08571	0.9
248.03120	0.7
261.12292	10.3
312.09460	0.8
387.74268	0.7
409.17490	2.9
417.15524	1.0
429.15118	1.5
550.17651	2.5
563.18683	2.4
565.20374	4.3
593.20050	8.5
681.29962	5.3
827.33002	3.9
845.23340	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06700	1.4
65.03860	1.9
70.06499	4.2
72.08062	9.1
72.12151	1.9
79.05379	2.2
81.03375	1.7
85.02816	2.6
86.09605	3.1
89.03813	3.7
91.05403	8.2
95.04915	3.1
98.05988	3.3
103.05405	2.7
107.04900	2.1
109.02832	2.4
112.27980	1.7
117.03308	25.7
119.04883	9.6
125.05938	2.9
130.06464	2.9
131.04874	3.4
133.02771	1.9
135.04478	2.2
137.05946	31.1
145.01704	3.9
145.02815	76.2
146.03188	2.0
146.05959	15.1
147.04376	15.3
149.05981	12.5
150.28792	1.8
151.07382	2.5
153.05440	7.5
153.17119	1.6
162.05460	15.0
163.03859	3.2
167.07036	3.8
173.05873	1.8
175.03865	2.7
175.07582	1.9
177.05426	100.0
178.05833	3.9
181.55060	1.7
201.05406	6.9
207.06473	4.1
219.01819	2.1
222.06549	2.4
233.34546	1.9
235.07504	2.8
237.09082	1.9
241.08765	1.6
247.07388	1.7
250.06076	2.9
261.09125	1.7
262.06204	3.5
263.06937	2.9
265.08566	4.1
265.15402	2.6
266.02899	1.6
267.27924	1.7
275.06946	3.2
276.07492	1.8
278.05630	9.2
279.06708	3.0
291.06436	2.4
291.10117	2.1
291.13275	11.1
292.07053	2.5
293.08099	17.4
304.07602	2.0
307.06027	3.6
308.06686	1.9
320.07013	2.0
321.07538	12.4
322.08130	2.7
323.09064	3.9
325.10638	11.6
333.07483	2.4
335.08951	2.0
336.32626	1.9
351.11856	2.6
353.10153	17.7
357.13235	2.2
365.10153	4.3
367.11432	2.2
408.51257	1.9
441.20175	3.5
487.17404	3.3
579.20038	2.6
580.19391	2.1
597.22131	7.5
603.26825	2.4
615.22620	2.6
633.27606	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	846.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29482	0.4
69.03340	1.8
70.06503	1.9
72.08061	0.6
81.03323	3.3
85.02827	1.0
89.03839	0.8
91.05419	3.0
97.02812	0.5
98.05946	0.6
99.04379	0.6
103.05447	0.5
108.58000	0.4
109.02803	5.1
109.06458	0.5
117.03334	2.3
117.07003	0.6
119.04898	6.9
122.03623	0.4
127.03866	2.3
130.06500	25.9
131.04849	0.5
134.05978	2.9
137.05937	7.3
144.04425	0.7
144.08060	5.0
145.02798	4.1
146.03145	0.6
146.05956	2.7
147.04387	37.0
148.04773	4.8
149.05887	0.6
162.05470	100.0
163.05836	2.2
165.05452	0.6
167.07005	7.7
172.07526	5.2
177.05441	5.8
178.05785	0.7
181.04929	1.9
190.04958	8.7
191.06927	0.5
205.08662	0.5
207.06520	0.6
208.05991	7.2
238.08574	1.1
243.67650	0.4
261.12253	3.2
279.02728	0.5
294.08685	0.4
311.23465	0.5
316.08206	0.6
334.09113	0.7
344.75476	0.5
352.10242	0.9
436.67343	0.5
550.18390	0.6
565.20532	0.5
585.19220	0.6
593.19922	1.0
682.29303	0.8
845.23633	3.8
846.23657	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	846.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04942	0.1
61.02844	1.2
65.03858	0.2
65.97501	0.1
69.03347	7.6
71.04900	0.6
73.02816	0.3
74.10739	0.1
79.05418	0.8
81.03347	1.3
83.04892	3.1
85.02824	3.2
87.04379	0.9
91.03877	0.6
91.05402	5.5
93.06931	0.2
95.04903	0.2
99.04385	0.9
103.03872	0.2
103.05395	0.6
104.06171	0.6
105.06981	2.0
107.08532	26.4
108.08851	0.3
109.06441	1.1
111.04372	2.2
117.06984	1.3
119.08530	100.0
120.08857	2.3
123.07980	0.1
129.05423	2.8
133.06479	1.7
135.08014	27.1
136.08336	0.6
145.10106	0.2
147.06502	1.2
157.10147	0.2
181.10141	0.1
219.80919	0.1
281.13751	3.3
295.11581	0.2
397.19977	0.2
415.21054	12.3
416.21228	0.6
849.55945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03857	0.7
70.06492	0.8
70.92551	0.5
72.08068	18.9
73.70535	0.4
81.85720	0.5
85.73470	0.4
89.03841	6.0
89.10714	0.8
91.05405	13.7
91.87364	0.4
95.04904	0.5
98.05978	6.4
103.05392	0.8
107.04897	0.5
115.08637	3.8
117.03322	25.5
117.06968	0.7
117.52287	0.4
118.03650	0.6
119.04893	32.1
121.06421	0.5
133.02832	5.1
134.03545	2.1
135.04373	3.0
137.05956	9.0
145.02815	64.9
146.03165	2.0
146.05931	1.8
147.04382	84.8
148.04753	2.7
149.05949	11.9
150.06647	2.0
159.04335	1.6
161.05942	2.9
162.05450	1.7
163.03835	4.1
164.04628	0.8
165.05400	0.8
168.06960	0.5
173.05803	0.5
174.03065	2.2
175.03873	7.8
177.05428	60.5
178.05745	1.9
186.03044	0.7
186.05423	1.0
186.09355	0.5
187.03871	6.1
201.05466	3.8
205.04880	2.2
205.06512	0.7
207.06367	0.6
218.11702	1.0
233.06096	1.6
234.06853	0.7
235.07495	2.2
235.14362	2.9
236.08156	0.5
237.08940	0.7
248.12724	2.1
249.05400	1.0
250.06204	0.6
261.12302	3.7
262.05807	0.6
263.06964	2.6
264.07773	0.6
265.04910	3.9
265.08435	2.1
265.15411	2.3
273.84579	0.6
277.05035	0.5
279.06140	0.5
280.07269	0.7
281.08081	0.8
282.08789	1.0
291.06400	3.0
291.13385	0.5
292.07214	3.0
293.04361	8.6
293.07990	2.3
295.09579	1.9
307.09506	3.9
308.06708	100.0
309.07037	5.6
319.05841	5.6
323.09064	3.9
325.10590	8.2
336.06226	1.7
351.08551	35.5
352.08951	2.2
413.20609	2.1
421.17316	0.8
422.15887	18.3
423.16107	0.9
439.18497	28.8
440.18646	2.3
465.15973	0.6
510.25302	0.6
527.28796	3.7
559.24213	0.8
585.22290	5.7
589.24878	1.8
615.23224	3.5
655.31390	1.8
656.29187	0.5
673.32172	35.3
674.32709	5.0
685.31915	0.7
703.33197	34.6
704.33453	5.1
714.45837	0.5
849.36896	10.0
850.36987	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	849.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06505	2.0
72.08079	7.9
78.91464	0.9
81.03338	1.2
88.98762	0.8
89.03828	4.6
89.10690	1.1
91.05392	7.4
92.10210	0.9
98.06007	0.9
107.04937	1.0
109.02853	1.7
117.03320	14.0
119.04933	8.0
124.03939	1.0
137.05928	3.7
145.01718	1.6
145.02823	43.2
146.05977	9.4
147.04395	31.2
149.05927	5.1
162.05441	6.0
170.61807	0.9
177.05435	48.5
178.05714	1.0
178.68983	0.9
190.04886	1.3
207.06425	1.2
207.08180	1.0
211.11232	1.1
220.05156	1.4
231.04300	3.6
233.05856	1.0
234.06673	2.2
235.07436	1.7
235.14328	2.1
247.14539	1.3
248.04582	4.7
248.12703	1.1
259.03857	11.7
260.04434	1.3
261.05447	2.2
262.06116	11.7
263.07004	6.4
265.04974	1.4
265.15353	6.2
275.25885	1.2
276.04123	14.2
277.04602	1.2
279.06458	27.9
280.06888	1.2
287.03308	21.1
288.03882	5.0
289.04773	3.2
290.05673	10.8
291.06454	17.8
291.13492	1.2
292.07187	1.6
293.04367	2.0
293.07968	1.2
304.03455	5.1
305.04181	1.8
307.05896	1.4
307.09436	1.1
308.06619	11.6
318.05228	2.0
319.02499	1.7
319.05957	32.6
320.06281	1.7
321.07446	1.5
323.09076	44.1
324.09320	2.0
325.10471	2.2
333.07407	1.4
351.08563	100.0
352.08871	6.6
422.15781	1.8
439.18643	13.4
441.19635	1.1
585.22223	7.6
615.23077	7.9
655.30273	1.2
673.32251	17.3
674.31177	1.6
703.33215	16.6
704.33710	3.4
822.25140	1.0
849.37634	7.1
850.36823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02286	0.4
68.28586	0.2
70.06505	1.4
72.08069	18.5
73.08385	0.1
78.04659	0.2
79.46686	0.2
89.03835	8.0
89.10719	0.2
91.05405	15.4
92.05713	0.2
92.63633	0.2
94.83448	0.2
95.04927	0.5
98.05993	1.1
99.09136	1.0
106.04100	0.2
110.02363	0.3
117.03329	28.2
118.03665	0.8
119.04897	38.1
120.05231	1.0
121.06406	0.3
134.03606	2.0
135.04390	2.5
137.05963	0.7
141.03264	0.3
145.02826	70.4
146.03172	2.7
146.06013	0.8
147.04387	93.2
148.04733	3.1
149.05954	10.5
151.03799	0.2
158.05988	0.2
162.03079	0.2
162.05461	0.4
163.03865	0.4
166.23047	0.2
169.09566	0.2
175.03906	0.2
176.29634	0.2
177.05435	75.9
178.05780	2.5
186.05464	0.8
191.07047	1.8
193.04935	0.4
201.05388	26.4
202.05765	0.9
205.06482	0.3
218.11734	3.5
219.08138	0.2
220.05153	4.1
221.05766	0.3
222.06599	0.4
226.04941	0.4
229.04948	0.3
234.06660	1.2
235.07486	16.2
235.14136	1.3
236.07860	0.9
237.05429	1.1
237.09117	1.9
241.03627	0.7
247.07477	0.3
247.14380	0.3
248.04585	3.9
248.12793	3.7
249.05409	1.2
249.13144	0.2
250.06223	0.9
252.07706	0.9
256.05981	17.3
257.06317	0.4
263.06964	28.7
264.07587	2.8
265.04938	3.8
265.08545	4.4
265.15396	1.3
266.05386	0.2
266.09189	0.3
276.04065	1.4
277.05835	0.2
277.08661	1.1
279.06494	0.2
280.07242	9.9
281.07813	1.0
282.08810	2.2
291.06458	31.1
292.06876	2.3
293.04581	0.2
294.08801	0.2
295.09549	2.5
296.10388	2.5
297.11111	2.0
298.10718	3.7
299.08920	0.7
308.06708	4.6
309.07550	0.4
309.11172	1.3
313.10620	5.0
315.13458	1.0
323.09076	100.0
324.09396	5.8
327.08630	1.1
341.11124	2.0
352.11841	0.7
369.09494	0.6
394.16367	3.8
411.19043	9.1
412.19336	0.8
421.17804	1.8
422.15891	13.9
423.16193	0.9
437.16968	1.5
438.16876	0.2
439.18539	48.4
440.18900	3.5
465.16510	1.8
557.22815	5.0
585.22198	21.8
586.22638	2.6
587.23828	6.4
588.24323	0.7
615.23254	20.8
616.23999	2.8
654.16095	0.2
673.32043	1.9
703.33228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03841	0.3
68.99693	0.3
69.03329	0.3
70.06508	2.1
71.04910	0.4
72.08057	1.0
78.07349	0.3
81.03337	14.2
84.08036	0.9
84.67033	0.3
85.02824	1.6
86.09607	0.5
89.03844	1.0
91.05403	8.1
97.02826	4.7
99.04380	6.1
109.02826	30.2
117.03343	2.8
119.04892	24.2
120.05229	0.4
127.03867	18.6
134.03708	0.3
139.03864	0.6
145.02827	10.0
147.04384	100.0
148.04765	1.9
149.05917	1.4
157.06403	0.4
162.05389	0.4
166.86317	0.3
169.04921	18.3
177.05423	10.5
229.07092	1.2
255.06427	2.1
273.07507	4.2
280.33847	0.3
289.08978	0.6
315.08554	9.7
527.15454	6.3
528.15448	0.4
737.55371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08068	5.4
76.51067	0.1
78.04633	0.2
80.36548	0.1
84.71568	0.1
89.03835	5.5
89.10714	3.3
91.05396	2.8
97.64028	0.1
98.05981	0.2
100.80080	0.1
103.05399	0.2
115.08666	0.8
117.03327	20.2
118.03683	0.6
119.04889	7.2
134.03578	1.4
135.04367	1.5
145.02823	71.0
146.03154	2.6
147.04384	32.7
148.04736	1.2
149.05949	7.5
150.06322	0.2
159.33507	0.2
162.03033	0.2
162.05385	0.2
163.03845	0.9
177.05432	100.0
178.05775	3.7
186.05458	0.8
197.15985	0.1
218.11760	3.5
235.14360	10.5
236.14723	0.4
247.14275	0.6
248.12791	3.4
261.12314	1.3
265.15402	19.7
266.15726	0.7
278.22562	0.2
291.13324	2.1
397.90952	0.2
411.19061	20.3
412.19351	2.2
441.20090	9.8
441.26324	0.2
442.20264	1.0
570.70557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
64.61925	0.3
67.05443	0.3
70.06498	0.6
73.88219	0.3
76.52340	0.3
81.06989	0.7
92.49029	0.3
98.84864	0.3
104.65414	0.3
119.08549	0.7
303.11920	3.6
437.19254	100.0
438.19540	8.2
516.36743	0.5
821.92029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13601	0.5
64.32913	0.5
68.99720	0.8
69.03361	0.9
70.06510	0.7
71.04873	0.5
79.05402	0.8
81.03339	21.0
81.03786	1.1
85.02831	3.7
89.03838	6.1
89.19411	0.5
91.05385	1.3
92.10934	2.0
97.02820	5.0
97.88652	0.6
99.04386	10.2
100.54772	0.6
107.04896	3.0
109.02835	45.2
117.03349	9.4
119.04909	2.6
127.03881	31.4
128.04155	0.6
129.10184	0.6
135.04388	21.6
139.04030	0.8
145.02831	23.1
146.03152	1.1
146.05995	4.4
147.04373	6.1
148.04778	1.0
149.05968	0.7
162.05476	3.8
163.03874	100.0
164.04250	2.5
169.04938	44.2
169.49336	0.6
170.05217	0.6
177.05464	9.0
178.05885	0.6
201.05414	1.0
207.06396	1.1
229.07129	0.8
247.23560	0.6
271.05966	0.8
289.06931	2.6
323.08838	0.7
326.10883	0.9
331.08060	7.4
422.75723	0.6
472.70935	0.6
505.20203	0.6
521.38940	0.6
529.13440	8.5
544.77454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03860	0.8
67.05448	0.4
70.06492	0.5
72.08070	19.7
72.80482	0.4
75.09156	0.6
81.03327	0.4
84.48588	0.4
91.05402	6.0
93.36926	0.4
97.02803	0.4
112.11198	2.9
119.04891	16.3
120.05159	0.5
129.13821	1.0
146.05988	3.3
147.04387	100.0
148.04709	3.4
155.11775	1.7
162.05489	3.3
163.05920	0.4
176.10724	0.5
177.05435	1.0
201.77005	0.5
203.11800	3.9
204.10170	47.0
205.10515	1.9
218.11714	2.3
221.12776	3.6
237.02592	0.6
274.19080	2.6
275.17459	9.3
292.20096	14.7
293.20404	0.6
342.54422	0.5
367.16449	0.5
395.06445	0.5
409.07803	0.6
421.21542	0.7
438.23801	46.6
439.24100	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	854.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71334	0.4
66.57367	0.3
67.05418	1.7
69.03341	0.9
70.06509	1.9
71.34673	0.3
72.08064	0.4
81.03323	3.9
85.02827	1.6
91.05413	0.5
92.10242	1.1
93.94747	0.4
94.06488	3.4
95.04900	0.6
97.02809	2.1
102.51927	0.4
106.02866	0.6
106.06467	0.7
109.02828	7.9
116.61096	0.4
117.03310	0.5
119.04812	0.5
122.05956	4.1
123.06750	1.8
124.03893	2.3
127.03865	3.9
128.04910	0.5
129.16026	0.4
134.05922	0.4
134.56677	0.5
138.05472	4.0
145.02843	2.3
145.05000	0.5
146.05986	40.9
147.04425	1.8
147.06291	1.0
150.05478	100.0
151.03810	0.4
151.05988	1.8
153.72462	0.4
162.05467	28.6
163.03859	0.5
163.05849	0.9
168.06502	4.8
169.04875	0.4
174.05450	4.6
175.04015	0.4
177.05437	2.2
190.04956	3.4
192.06544	2.0
203.56877	0.4
208.05965	1.0
252.60870	0.4
254.07945	0.8
268.07990	0.6
300.08688	0.6
316.08347	0.8
318.09442	0.7
323.09189	0.7
323.94217	0.5
336.10693	0.6
352.10406	0.6
372.38382	0.4
501.15012	0.6
836.24982	6.5
837.24365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23053	1.1
69.03329	7.5
69.57652	1.2
70.06520	9.2
71.04893	2.3
72.08067	1.4
72.77911	1.2
77.69597	1.3
81.02863	1.4
81.03330	36.1
81.67682	1.2
84.04424	1.9
84.08054	1.9
85.02829	10.2
86.09621	5.3
91.05409	2.2
97.02828	18.3
99.04359	13.1
104.81478	1.4
109.02827	100.0
110.07100	1.3
127.03869	84.7
130.05008	1.3
131.04874	1.3
145.02824	6.9
145.04919	2.7
146.06000	19.8
147.04388	2.6
147.06328	1.5
162.05470	19.4
169.04904	8.3
174.05449	1.4
175.03903	1.9
177.05431	9.9
187.05997	4.8
199.05266	1.3
207.06480	2.0
217.04805	1.8
229.06902	11.0
235.07477	2.2
247.08034	7.6
259.09604	6.4
263.07083	5.3
265.08624	3.2
315.77298	1.6
323.09113	12.8
340.09338	8.2
341.09909	1.8
399.56790	1.4
449.11697	1.6
555.14728	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04456	1.2
63.33324	1.1
69.01254	1.2
70.06520	12.9
72.08068	7.2
72.52785	1.1
74.73346	1.2
81.03334	2.8
84.08076	4.7
86.09634	4.7
89.03845	1.3
90.53446	1.0
91.05444	5.8
102.35107	1.1
109.02813	9.9
110.07141	1.7
117.03337	8.9
119.04930	14.2
127.03916	4.8
129.10201	1.7
145.02815	20.5
146.03148	2.5
146.05988	2.2
147.04388	41.2
147.05458	1.8
148.04765	1.8
149.06001	1.4
162.05530	1.5
169.02654	6.7
169.05017	5.9
173.99751	1.1
177.05444	17.7
178.05887	2.4
186.82237	1.3
220.14598	1.2
251.05383	1.4
308.06799	1.8
343.07819	19.9
344.08044	1.3
439.42914	1.4
549.13776	5.0
567.14539	1.5
633.08527	1.3
702.67480	1.3
832.41193	1.6
855.23010	100.0
856.23840	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	857.348
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68615	1.0
65.03864	1.0
70.06502	12.1
71.61095	0.8
72.08068	19.0
78.04617	1.2
79.05427	0.9
81.03328	1.6
84.08063	3.6
85.42175	0.8
86.09624	2.2
89.03831	17.6
91.05410	5.1
92.63307	1.2
95.04888	2.1
96.65422	0.8
98.06000	9.2
103.05415	1.5
105.06979	1.0
107.04918	1.6
111.04420	1.1
115.05357	1.1
115.08626	6.4
117.03327	44.7
117.06989	1.2
119.04915	2.2
121.06493	1.0
122.03601	2.0
123.04379	3.6
125.05986	1.5
129.10158	1.3
131.04881	1.9
133.02827	1.3
133.06471	5.7
134.03619	1.5
135.04424	6.2
137.05954	27.2
145.02823	100.0
145.06491	1.9
146.03207	1.7
146.05905	1.0
147.04382	5.3
149.05968	15.6
151.07567	1.6
153.05478	2.1
159.11533	1.0
161.05940	4.8
162.05428	1.4
163.03877	3.7
163.07530	1.2
164.04633	2.0
165.05464	1.3
167.07016	15.8
173.05902	1.5
175.07500	1.9
177.05435	86.7
181.04961	9.6
182.05573	1.1
186.05385	1.2
189.09103	1.9
191.06972	5.8
193.08510	1.1
205.08504	1.6
206.11690	1.7
207.06416	1.1
248.12885	1.9
249.12137	1.1
281.07797	1.0
286.08295	4.0
291.13489	6.6
299.08929	9.0
314.07727	1.2
314.11319	1.1
317.06363	1.2
325.10687	1.1
331.12665	1.0
340.09381	3.9
342.11047	1.4
342.38940	1.1
353.09735	1.1
354.14804	1.1
367.11581	1.5
417.15118	1.3
429.15225	4.4
521.21686	1.3
529.66223	1.0
550.18256	51.2
551.18323	3.4
593.19891	1.6
663.28546	3.8
664.27509	2.0
681.30066	55.5
682.30109	5.2
857.34229	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	859.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35290	3.2
65.39168	3.1
70.06493	6.7
72.08039	4.1
86.09618	3.8
88.48032	3.5
89.03831	7.1
91.05366	4.2
91.15003	3.2
117.03323	21.2
119.04938	7.6
127.56280	3.2
133.02832	4.2
145.02837	67.1
146.05956	16.3
147.04387	15.0
149.05948	5.1
162.05463	15.6
167.06982	4.0
173.42068	3.8
177.05415	73.7
187.95224	3.5
226.03326	3.3
312.11801	3.4
841.30835	4.5
859.20306	100.0
860.20197	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	859.327
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06510	1.5
70.86189	0.3
72.08066	2.3
79.05415	0.3
79.68981	0.2
86.09650	0.3
89.03846	4.5
90.27836	0.3
91.05402	1.5
94.04093	0.7
94.17076	0.2
98.05992	0.6
99.09155	0.4
103.05387	1.6
107.04897	0.6
109.02810	0.3
109.06457	1.1
115.05397	1.0
115.08623	0.5
117.03328	21.5
117.06952	0.4
119.04916	0.4
122.03574	2.1
124.05143	0.4
125.05969	0.3
129.06990	0.3
131.04907	1.2
133.02834	0.5
133.06444	0.6
134.03593	1.9
135.04413	2.2
137.05959	30.2
138.06238	0.5
143.04935	0.7
145.02826	75.4
146.03165	3.0
146.06050	0.6
147.04402	1.1
149.05966	7.8
151.03876	4.6
151.07510	0.4
153.05423	1.7
154.63687	0.3
160.05148	0.5
161.05991	0.5
162.03014	0.3
162.05440	1.1
163.03868	1.5
163.07544	1.7
165.05426	0.6
173.05939	0.4
175.07498	3.3
176.04768	0.3
177.05435	100.0
178.05801	3.2
186.05478	1.6
187.07568	0.4
191.03358	1.2
191.06989	1.9
201.05411	1.1
203.06985	1.2
219.06464	0.6
248.12669	0.6
263.13644	0.3
264.07559	0.3
265.15485	0.4
266.09430	0.3
283.09546	0.4
291.13327	15.5
292.07373	0.3
292.13690	0.6
299.09052	0.4
305.07645	0.4
336.09677	0.5
351.12674	0.4
364.08679	0.3
371.41147	0.3
379.11469	0.4
413.12192	3.5
428.08957	0.5
439.18674	2.7
441.19882	0.4
447.14459	0.3
521.18353	0.8
534.15057	3.6
549.17688	3.9
577.16632	2.6
578.17004	0.4
638.84851	0.4
665.26929	13.1
666.26733	0.6
691.24774	0.5
755.66565	0.4
841.31567	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	859.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99259	0.3
61.51992	0.3
64.14923	0.4
66.88525	0.4
69.26344	0.3
70.06506	2.8
72.08076	2.2
81.03329	0.4
81.06969	0.4
86.24998	0.3
89.03835	4.2
91.05399	1.8
94.04163	0.6
95.04884	0.4
98.05965	0.6
103.05368	0.4
107.04848	0.5
109.06483	0.4
115.08630	0.6
117.03330	20.7
117.06964	0.5
119.04873	0.6
121.06493	0.5
122.03603	2.4
131.04903	1.5
134.03569	0.9
135.04417	2.9
137.05954	33.9
142.77678	0.4
143.04976	0.4
145.02824	75.1
146.03194	1.9
146.06035	0.6
147.04379	1.7
149.05949	9.4
149.59164	0.4
151.03871	2.1
151.07552	0.4
153.05429	0.7
161.05931	0.4
162.05463	1.4
163.03864	2.1
163.07474	0.7
165.05469	0.7
175.07526	3.0
175.08855	0.4
177.05431	100.0
178.05789	2.7
179.03423	0.8
181.04881	0.7
186.05545	0.8
187.07530	0.7
191.06972	1.6
219.06491	2.2
265.15488	0.6
291.13333	16.5
292.13791	0.5
299.08920	0.6
413.12189	6.1
439.18414	2.0
475.13702	0.5
521.17578	0.8
534.14722	2.9
549.17407	3.6
577.17157	4.7
648.23309	0.6
665.26904	10.2
666.26410	1.5
691.24774	0.6
760.86572	0.4
841.31873	3.7
859.19958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5647
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05079	0.6
67.05430	18.4
69.06986	11.7
71.08546	1.0
73.31801	0.3
75.75652	0.3
79.05410	6.3
81.06976	19.0
82.07304	0.4
82.60796	0.3
83.08542	8.1
84.04430	100.0
85.02827	1.6
85.04782	0.7
85.06461	0.4
90.24926	0.4
91.05412	2.5
92.10925	0.5
93.06976	7.3
95.08534	15.1
97.06451	0.6
97.10084	4.5
102.05481	37.7
103.05833	0.6
105.06986	1.7
107.08530	3.4
109.10099	6.8
111.08044	0.6
112.08187	0.4
112.99971	19.1
113.09527	0.5
119.08526	0.9
121.10101	5.4
123.11682	2.1
128.22604	0.4
130.04971	73.1
131.05287	0.8
133.10104	1.9
135.11674	2.5
147.11632	0.8
148.06027	58.3
149.13243	1.5
152.59444	0.4
153.12830	0.4
161.13263	0.8
169.02573	10.8
179.66736	0.4
245.22630	2.8
256.78690	0.4
263.23608	4.4
309.40451	0.5
339.28894	20.6
340.29196	0.5
364.28473	0.8
392.23413	0.4
392.27820	3.3
410.28958	13.9
433.27075	1.6
791.01587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.391
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04440	2.0
69.03349	2.3
70.06503	39.3
72.08065	14.5
73.29645	1.7
74.05997	12.2
81.03342	9.1
84.04437	11.9
84.08064	70.3
85.02841	8.1
90.05492	3.2
91.05392	21.4
97.02837	11.7
98.05963	16.5
98.09617	27.4
99.09134	3.0
100.07553	8.2
101.07095	3.7
102.05500	2.5
107.04920	4.5
109.02853	4.1
110.07129	15.5
110.09641	3.7
112.03912	2.1
112.11194	61.4
113.07073	32.4
115.05433	2.3
115.08619	13.2
119.04884	36.4
121.02861	7.3
121.60119	1.8
124.03925	2.4
127.03904	4.3
127.08630	3.3
129.10236	8.6
129.13823	24.6
136.07562	7.2
137.05984	2.2
143.04895	2.5
145.02847	10.7
146.06023	9.0
147.04393	41.9
147.07707	2.5
150.05435	2.8
151.03880	2.6
155.11757	65.7
155.12917	3.5
162.05470	27.9
169.06133	1.9
171.04326	2.4
175.03865	50.9
175.05339	3.2
177.05441	15.7
178.05911	2.7
180.70956	1.9
181.04906	2.4
184.14452	4.0
187.07120	2.2
191.08533	2.3
198.15903	18.1
207.06488	61.7
209.09506	2.5
212.17523	24.3
219.08067	7.7
223.07545	12.3
225.09183	2.0
229.20280	9.6
235.07564	3.5
237.09013	4.2
240.17033	3.1
247.07613	8.4
251.07069	9.9
251.10710	3.2
263.07123	2.0
263.14041	2.5
265.08630	12.7
275.06909	2.5
282.02704	2.6
291.06525	8.0
317.38971	2.3
322.14413	3.7
348.12286	4.1
357.25494	1.9
476.25702	2.2
748.70471	2.1
832.37146	3.4
861.22266	4.2
861.38953	100.0
862.39124	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	862.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	0.6
70.06504	2.4
72.08066	1.2
81.03332	3.9
81.06969	0.3
84.04439	0.4
84.08059	0.3
85.02809	0.5
86.09631	0.3
91.05397	1.5
97.02803	1.2
98.05956	0.9
99.05556	0.2
100.11227	0.3
109.02086	0.3
109.02824	8.0
110.07092	0.5
115.08614	0.3
117.03324	0.4
119.04901	1.7
120.25109	0.2
127.03878	3.2
128.04900	1.6
131.04933	0.2
132.04417	1.5
145.02827	1.3
146.05981	100.0
147.04424	2.2
147.06299	3.7
148.04782	0.2
152.10670	0.9
162.05511	3.7
163.05783	0.3
174.05463	14.5
175.03818	0.8
177.05391	1.5
180.10117	0.5
181.04955	0.4
190.04921	0.4
192.06509	4.7
207.06491	1.1
246.07411	0.5
254.07990	1.1
264.08423	0.3
282.02756	0.3
300.08640	5.4
318.09720	2.5
336.10736	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	863.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18038	0.5
62.72638	0.4
63.02307	0.6
67.04381	0.5
69.81554	0.5
70.06512	7.1
72.08076	7.8
74.06007	0.6
75.48278	0.4
77.46658	0.5
81.03349	1.0
84.04433	1.1
84.08067	1.2
86.09605	0.5
89.03844	10.4
90.05018	0.6
91.05406	3.6
97.02824	3.1
98.03221	0.6
98.05968	0.9
107.89230	0.5
109.02854	2.4
110.07115	0.7
116.06110	0.6
117.03333	36.9
118.03717	0.6
119.04900	3.6
120.35300	0.5
124.03948	0.7
124.48256	0.5
129.10150	0.7
131.06908	0.7
134.03595	2.9
135.04408	4.0
136.07584	1.0
137.05876	0.7
145.02826	100.0
146.03229	2.6
146.05998	10.2
147.04398	6.0
148.04793	0.9
149.02315	0.7
149.05957	13.3
162.05479	8.9
163.03867	2.1
164.88094	0.6
174.05505	1.2
175.03838	4.2
176.04129	0.7
177.05435	99.3
178.05745	2.8
186.05466	1.1
190.05070	0.8
207.06491	5.9
208.06847	0.8
248.12701	5.0
282.02646	0.8
292.03516	0.5
307.05936	0.6
309.07071	0.6
335.05414	1.2
352.07971	1.0
353.06555	0.8
364.08139	14.9
379.90881	0.6
406.12793	9.9
423.15427	21.5
424.15732	3.0
449.13220	2.9
599.20184	26.2
600.20203	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	863.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03870	1.1
67.09062	0.1
69.03330	0.3
70.06492	0.9
72.08076	1.6
77.85332	0.1
78.02238	0.1
81.03322	1.0
84.04405	0.2
84.08067	7.1
85.02827	0.2
91.05408	11.8
92.05704	0.2
92.10916	0.2
97.02844	0.1
98.09621	2.1
100.07553	2.0
103.05345	0.2
107.04893	2.2
109.02804	0.3
110.09629	0.2
112.11194	12.1
113.07068	0.4
119.04898	32.4
120.05232	0.8
124.03883	0.2
129.13846	6.3
145.02806	0.3
146.05997	0.3
147.04391	100.0
148.04724	3.4
155.11755	4.0
157.03928	0.3
162.05403	1.1
162.09099	0.2
169.13348	0.2
175.03880	12.7
176.04247	0.4
177.05449	0.2
179.07071	0.3
181.04849	0.2
203.11783	4.0
204.10173	16.4
205.10620	1.0
207.06503	17.3
208.06786	0.2
218.11806	0.7
229.20166	0.2
239.03554	0.2
272.66431	0.2
275.17474	3.7
292.20139	0.6
301.15359	0.6
331.25021	0.2
331.65305	0.2
351.10651	0.9
369.11893	0.2
425.31302	0.3
438.23883	1.0
455.54666	0.2
460.21988	0.2
461.22327	0.2
717.37354	0.2
728.33960	1.0
743.35175	1.5
863.40607	33.8
864.40857	6.0
864.57642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06019	18.5
67.05419	4.3
69.06996	4.9
71.08551	18.5
75.04402	0.9
81.06979	6.4
83.08539	4.7
85.10106	10.3
86.09634	0.9
91.62942	0.8
92.10931	1.5
95.08538	10.4
97.10075	1.1
98.98415	6.9
100.97484	0.8
104.10645	1.5
109.10103	4.6
112.99976	0.8
113.87434	0.8
121.60185	0.8
123.11661	1.8
124.01580	0.9
155.00980	6.0
184.07251	0.8
190.96175	0.8
216.06303	1.3
239.23611	1.2
282.27829	14.2
283.28149	1.3
313.27313	100.0
314.27588	7.0
393.24100	6.9
436.28146	26.6
454.29214	36.9
455.29080	1.2
469.04977	1.0
540.58093	0.9
585.20740	0.8
662.45490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14845	0.9
63.02329	0.7
69.03346	1.1
70.06499	7.0
70.17721	0.8
72.08070	11.6
81.03327	1.6
84.04458	1.0
84.08077	1.0
85.02794	1.1
89.03841	8.5
91.05401	5.3
97.02796	1.3
98.05946	1.5
104.95846	0.9
109.02802	4.0
114.36681	1.1
117.03326	35.1
119.04900	5.9
124.03921	1.2
134.03595	1.4
135.04401	5.0
145.02820	88.5
146.03223	2.1
146.05986	12.6
147.04395	11.5
147.06306	1.7
149.05988	12.2
151.03931	1.0
162.05482	18.4
163.03833	1.4
174.05524	1.2
175.03862	4.1
177.05429	100.0
178.05766	3.8
186.05418	1.2
187.03773	6.9
190.05031	1.4
201.05446	1.6
207.06526	5.1
219.91835	0.9
221.05934	4.8
225.56339	0.9
242.04411	3.9
248.12717	5.1
249.05403	8.8
251.06940	1.7
263.06915	1.6
265.15405	1.6
266.05624	1.8
277.04962	11.7
282.02756	1.4
299.09027	1.6
309.07462	29.9
310.07703	1.4
323.08798	1.9
381.23349	1.1
397.17303	4.6
408.14261	4.1
425.16852	13.3
524.93182	1.1
573.21808	5.0
601.12970	1.7
601.21674	28.9
602.21698	1.7
689.31268	1.7
829.34143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40051	0.4
69.05571	0.3
70.06513	3.9
72.08067	11.0
81.03320	0.6
84.04403	0.6
85.73020	0.4
85.77402	0.4
86.09608	0.4
89.03835	11.8
91.05399	2.5
97.02823	0.5
97.09206	0.4
98.05961	2.0
100.11192	0.7
109.02813	0.9
110.07094	0.4
115.08578	0.5
116.22038	0.4
117.03325	39.5
118.03683	1.0
119.04910	1.9
124.03852	0.6
134.03593	2.2
135.04385	3.9
137.06010	0.5
145.02820	97.8
146.03130	3.3
146.05988	6.4
147.04404	4.3
147.06284	0.8
149.05956	14.3
150.06291	0.5
155.48259	0.4
162.05421	5.7
163.03874	0.8
163.05824	0.5
174.05437	0.7
175.03882	0.5
177.05429	100.0
178.05785	4.0
182.15359	0.4
186.05446	1.9
191.06947	0.7
201.05377	11.5
207.06485	0.5
220.05122	0.8
221.06084	3.3
221.07813	0.5
226.04816	0.5
235.07426	6.0
236.07895	0.7
241.03746	0.4
248.04578	2.1
248.12737	4.3
249.05330	3.6
250.06073	1.5
256.05997	6.2
263.06958	14.5
264.07434	0.9
265.08438	0.9
265.15347	2.1
266.05688	5.1
267.06174	0.6
268.07205	0.7
277.08527	0.5
281.07977	1.8
281.12503	0.5
282.08746	0.9
283.09647	0.9
291.06458	4.1
295.05750	0.6
295.09409	0.8
298.10446	0.8
299.09027	3.4
309.07483	65.5
310.07849	4.8
311.07980	0.4
341.11392	0.6
380.14670	2.5
397.17578	5.5
398.17422	0.6
403.11667	0.5
407.15659	0.5
408.09784	0.6
408.14374	7.7
409.14795	0.6
423.15152	0.8
425.16971	22.4
426.17136	2.0
451.14590	1.9
573.22290	6.8
574.22174	0.6
601.21674	31.0
602.22064	3.8
652.92700	0.5
689.30640	1.8
803.90985	0.4
829.32941	0.9
847.34155	1.7
865.35040	0.8
889.95990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02305	0.3
67.01788	1.7
68.99714	1.6
69.03355	0.6
70.06517	0.2
71.04911	1.4
72.08082	0.5
79.05429	1.0
81.03340	24.7
82.03648	0.2
84.08083	0.3
85.02819	2.4
86.09640	0.2
89.03841	6.9
95.04913	0.6
97.02829	6.1
99.04388	14.7
103.03847	0.2
107.04900	2.4
109.02834	54.3
110.03121	0.6
111.04395	0.3
114.37553	0.1
117.03331	11.8
118.03629	0.3
127.03882	32.5
128.04222	0.8
134.03642	0.2
135.04388	21.0
136.04709	0.3
139.03902	1.5
141.05504	0.2
145.02831	26.5
146.03177	0.9
147.04434	0.2
148.27539	0.2
149.05957	1.8
163.03874	100.0
164.04213	2.6
169.04933	59.3
170.05270	1.4
177.05444	15.8
178.05766	0.5
186.05466	0.6
187.06029	0.3
187.64432	0.1
207.06458	0.2
208.07954	0.1
211.05989	0.2
229.07065	2.0
243.39786	0.1
259.09598	0.7
271.05847	2.4
289.06714	2.8
289.09680	0.3
303.08502	0.6
331.08066	10.3
332.08350	0.6
469.98090	0.2
543.14911	9.1
544.15002	0.8
707.31360	0.2
762.96863	0.2
827.00787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01782	0.5
68.99696	0.6
69.03345	0.8
70.06511	4.4
71.04885	1.1
72.08054	2.2
72.49314	0.5
74.35663	0.4
79.05421	0.6
81.03334	30.1
82.34632	0.5
84.08055	1.0
84.12997	0.4
85.02827	4.3
86.09612	0.9
89.03833	7.7
95.04919	0.7
97.02818	8.1
99.03745	0.5
99.04383	12.3
107.04884	2.2
109.02825	67.5
110.03181	0.9
117.02557	0.9
117.03323	17.1
127.03872	44.4
128.04156	0.5
129.10185	0.7
135.04378	20.7
139.03865	2.1
141.05507	0.4
144.91455	0.5
145.02820	41.0
146.03090	1.8
146.05943	1.1
147.04349	1.0
149.05930	3.6
162.05446	0.7
163.03860	100.0
164.04210	1.0
169.04916	59.4
170.05272	0.9
177.05431	27.0
178.05783	1.0
186.05421	0.9
188.22964	0.5
201.75970	0.5
211.05899	0.7
229.06982	3.9
250.98694	0.5
271.05975	2.5
289.06931	2.7
317.14941	0.5
331.08044	13.0
543.14954	7.3
544.14911	0.5
558.62659	0.6
727.61865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58597	0.3
63.02290	0.4
65.03862	0.5
67.01791	0.6
68.25813	0.3
68.99695	0.6
69.03329	0.7
70.06499	1.6
71.04917	0.8
72.08070	0.9
78.97678	0.4
79.05396	0.8
81.03338	22.5
82.04124	0.4
85.02826	4.2
89.03831	8.7
90.73393	0.4
91.05395	1.8
95.04922	0.7
97.02303	0.5
97.02830	7.6
99.04387	10.1
103.05389	2.3
107.04883	2.3
109.02829	56.0
110.03122	0.7
110.07107	0.6
111.04374	0.9
117.03330	25.9
117.06935	0.5
118.03651	0.4
119.04892	0.9
123.04401	0.5
127.03876	33.6
131.04913	0.5
133.06441	0.6
134.03574	0.8
135.04402	12.3
137.05925	0.7
139.03879	2.2
145.02823	73.0
145.06491	0.9
146.03175	2.7
146.05966	0.6
147.04390	2.2
149.05948	9.1
153.05444	0.7
156.07578	0.4
162.05489	1.6
163.03867	38.3
164.04245	0.8
167.07018	5.7
169.04930	34.1
170.05289	0.8
171.06468	0.7
173.05923	1.0
177.05429	100.0
178.05798	4.2
181.04909	10.5
184.43643	0.4
186.05449	2.1
191.06982	1.8
225.07497	0.6
229.07016	2.6
271.05960	0.7
285.07437	2.7
289.09302	0.6
301.26526	0.4
303.08643	4.0
331.08054	2.9
345.09570	10.4
517.82373	0.5
543.14948	7.9
564.84113	0.5
641.22174	3.3
771.69275	0.5
790.82520	0.5
810.39313	0.5
866.32092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33661	0.4
65.03862	7.8
67.05420	3.1
69.03333	1.8
69.06966	0.4
69.60294	0.4
70.06486	1.0
71.01255	0.7
71.89796	0.4
72.08073	0.6
78.04611	0.7
79.05409	4.1
79.49942	0.4
81.03345	7.7
81.06924	0.5
82.04121	3.0
85.02817	5.4
89.03834	2.2
91.05399	8.5
93.03311	0.5
95.04895	4.0
97.02795	2.2
97.06459	2.3
99.04398	3.2
103.05398	7.6
105.03352	3.5
105.06987	1.8
106.04119	0.5
107.04892	8.4
108.02061	0.5
109.02824	14.9
109.06471	2.6
110.03687	4.2
111.04405	4.1
111.05040	0.5
115.05402	6.5
116.44974	0.5
117.03328	5.7
117.06970	6.7
118.04103	2.0
119.04897	2.8
120.05680	0.7
121.06419	1.9
122.03578	0.6
123.04409	4.1
124.05188	0.9
125.05959	4.7
127.03868	8.4
127.05329	0.7
128.04204	0.8
128.06099	0.7
129.06946	1.0
130.04077	0.8
131.04900	7.2
132.05643	0.7
133.02788	2.5
133.06465	3.0
134.03635	0.8
135.04405	4.2
137.05956	9.5
138.03102	2.5
139.03853	0.5
140.04625	2.0
142.02605	2.6
143.04912	0.9
144.05666	0.8
145.02824	17.8
145.06476	14.8
146.03130	4.0
146.06056	0.6
147.04378	4.6
147.08026	2.0
148.05200	5.3
149.05930	3.9
151.03860	2.1
151.07512	1.9
152.04637	2.2
153.05441	5.8
155.05960	3.2
160.05171	0.6
161.05949	2.6
162.03127	0.5
163.03867	9.5
163.07527	5.1
164.04228	1.1
165.05441	9.4
166.06189	0.4
167.07005	49.1
168.07411	0.9
169.04915	8.3
170.05179	1.6
171.04337	0.7
171.06494	9.9
172.05132	0.4
173.05943	16.9
174.06573	1.0
175.07466	1.8
176.04651	0.5
177.05440	30.9
178.05782	7.2
178.07353	0.7
179.07014	1.0
179.08409	0.5
180.04137	2.1
180.07741	0.6
181.04921	100.0
182.05319	3.2
185.05925	0.7
189.05429	1.0
190.06056	0.5
191.07007	10.5
192.07538	0.5
193.04927	2.9
195.06480	2.5
195.17450	0.5
197.08012	0.7
201.05411	1.1
203.06944	3.1
205.04926	0.8
205.08510	3.7
205.10283	0.5
206.07381	0.6
207.06477	3.4
207.08130	0.6
208.07246	2.2
211.07419	0.6
217.08580	0.5
219.06483	2.0
220.05203	0.6
220.07170	3.6
221.07896	0.4
222.06671	0.8
223.05943	0.8
225.07497	8.4
226.08333	0.9
231.06447	1.8
233.07999	4.2
235.07393	1.5
235.09648	3.1
237.09041	0.6
241.87123	0.4
250.06052	0.8
251.06895	0.7
255.06348	0.5
263.07007	0.9
264.07639	0.8
265.08505	1.6
267.06454	0.5
267.10052	0.6
277.05139	0.5
277.08459	0.6
283.09558	0.6
285.07544	0.6
289.51413	0.4
293.07941	0.9
295.09549	0.7
297.11099	0.6
299.08862	0.5
307.09497	0.5
310.08237	1.0
323.09113	0.6
325.10666	1.0
331.08002	0.5
339.08426	0.5
343.11755	0.8
345.09540	2.3
346.09891	2.0
355.11816	1.8
357.13345	2.6
367.11554	0.7
371.10934	0.5
383.10980	0.6
385.12741	10.7
386.13416	2.5
387.14294	1.1
397.12750	0.8
415.13776	2.7
416.14658	3.4
417.15228	5.3
543.14661	0.8
544.15082	2.0
545.89655	0.5
611.20758	2.7
641.22150	41.5
642.22656	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	867.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02284	0.4
65.03860	0.8
70.06510	5.8
72.08068	11.8
76.55928	0.6
77.03854	0.8
79.05408	0.5
81.03329	0.9
84.04425	0.6
85.02818	0.5
89.03835	10.0
89.10727	0.9
91.05402	16.8
93.06964	0.9
95.04932	1.1
98.05995	3.1
103.05404	1.1
105.03353	2.3
107.04874	1.1
109.02839	1.1
115.08632	0.8
117.02468	0.6
117.03325	29.5
119.04896	34.8
121.06470	2.3
122.03629	0.8
125.44298	0.4
128.04887	0.6
133.02818	55.0
134.03496	2.3
135.04387	5.4
137.05959	15.3
145.02824	85.8
146.03178	2.9
146.05992	14.5
147.04388	100.0
147.06326	3.1
148.04752	1.9
149.04768	1.1
149.05949	21.5
150.06763	6.2
151.03865	0.6
157.03981	0.8
159.04375	0.6
161.05969	2.5
162.03110	0.5
162.05432	5.0
163.03867	2.3
165.05438	6.1
173.05975	0.8
174.05484	0.9
175.03880	16.8
177.05437	93.3
178.05872	3.3
178.07445	0.5
181.04968	0.7
182.85947	0.4
186.05466	2.6
187.03862	5.3
192.06496	1.9
201.05450	5.3
204.06612	0.5
205.06470	3.6
207.06424	0.6
218.11702	1.9
222.06654	1.0
233.05991	5.3
234.06613	0.7
235.07549	1.7
235.14438	2.1
246.11256	1.1
247.07500	0.7
248.12766	0.8
249.05513	3.1
250.06049	1.0
261.05429	3.8
261.12335	2.4
263.06967	2.5
263.13867	1.0
264.07669	0.7
265.04956	0.6
265.08469	2.2
265.15530	3.2
276.04074	0.5
277.04999	0.6
279.06424	1.7
280.07071	0.6
282.02689	0.6
291.06451	4.4
291.13211	3.3
292.07266	2.0
293.04651	0.6
293.08035	2.6
295.09534	4.2
307.09717	0.7
308.06744	9.4
309.07178	0.7
319.06305	0.6
321.03867	0.6
323.09155	4.2
325.10632	16.1
336.06174	8.8
337.06564	0.7
351.08545	19.9
391.24701	0.5
396.18036	0.6
409.17273	1.8
411.18918	3.4
413.20663	10.6
414.20755	0.5
422.15829	4.0
439.18506	12.2
441.20135	2.3
527.28363	1.8
559.24225	12.5
560.24036	0.6
585.21967	1.8
589.25317	11.0
615.23218	2.4
623.29895	0.6
673.32251	11.2
674.31665	0.8
703.22064	0.7
703.33417	11.5
704.33087	0.9
849.37366	4.5
882.43951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03851	2.6
65.37138	1.8
70.06500	9.9
71.18304	1.7
72.08076	14.6
73.05619	1.7
74.20133	1.9
75.78082	1.9
84.08073	2.4
85.02832	2.1
85.31286	2.2
86.09613	5.0
89.03820	13.9
90.05575	2.2
91.05390	4.3
98.05986	9.1
99.44186	2.2
107.04893	2.9
109.02843	2.3
117.03316	47.6
119.04948	3.2
120.08038	2.2
134.03526	2.5
135.04369	9.0
137.05949	16.5
145.02826	100.0
145.06480	2.5
146.03174	3.0
146.05983	10.4
147.04379	10.4
149.05933	16.3
162.05504	4.1
163.03856	4.6
167.06973	4.1
171.06468	2.9
175.04012	2.3
177.05438	90.7
177.06924	3.8
178.05812	2.9
181.04909	64.1
191.06952	2.8
248.08449	2.3
250.60927	2.1
265.15515	2.7
291.13205	2.6
306.08954	2.5
310.64847	2.0
321.11026	3.0
323.08990	2.3
340.09164	9.2
349.10684	4.4
351.08322	3.9
353.13815	2.7
366.10834	8.3
381.13318	68.0
382.14053	26.6
383.14282	4.0
518.15759	3.1
536.16187	3.7
548.16919	3.8
637.27710	3.3
649.27606	3.7
661.27020	4.2
667.28058	11.5
679.28210	4.4
851.63263	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	873.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03857	2.1
67.05404	0.6
69.03368	0.6
70.06509	2.6
72.08072	1.1
79.05423	2.5
81.03326	0.6
82.80219	0.5
85.02808	2.0
89.03835	5.7
91.05412	2.4
93.03323	0.6
95.04893	2.5
97.06443	0.5
98.05976	0.8
103.05376	1.0
107.04916	4.4
109.02818	0.7
111.04444	0.5
113.02712	0.5
115.05386	0.7
117.03323	24.9
117.06924	2.1
117.53971	0.5
118.03664	0.7
119.04890	1.1
122.03539	0.5
123.04346	2.1
124.05194	0.8
125.05941	1.2
129.06960	0.6
130.06396	0.5
131.04880	2.0
133.02805	3.8
133.06561	0.5
134.03540	0.9
135.04398	3.9
137.05939	11.8
142.02620	0.5
143.04906	0.8
144.05687	0.7
145.02824	82.1
145.06451	5.5
146.03175	3.1
146.06004	3.8
147.04385	2.4
147.06369	0.5
149.05963	10.4
151.03833	0.9
151.07457	0.9
153.05394	0.9
155.04845	0.5
156.05717	0.5
157.06520	0.5
161.06033	0.7
162.05444	4.7
163.03868	1.2
165.05388	0.7
167.07022	10.8
171.06491	3.0
173.05894	3.6
175.03853	0.9
175.07506	1.2
177.05432	100.0
178.05829	4.0
181.04918	36.7
182.05325	0.7
186.05309	0.9
189.08997	0.6
191.06966	2.6
195.06419	4.6
201.05461	2.7
203.07004	2.3
207.06473	0.9
217.08521	3.7
219.06490	3.3
231.06302	0.8
233.07951	1.0
234.08865	1.1
239.58319	0.5
248.08308	0.7
250.06105	0.7
251.06952	0.6
265.15335	4.1
276.07660	1.1
277.08450	1.2
290.05655	0.6
291.06345	0.8
291.10168	0.8
291.13318	12.2
293.08112	0.6
296.07172	0.6
304.07321	0.8
305.07913	1.0
306.08633	0.6
307.06076	0.9
307.09439	0.8
311.09091	0.8
321.07562	2.8
321.11032	0.6
322.08167	0.9
323.09018	0.8
336.09695	0.8
336.31656	0.6
337.10641	2.6
349.10785	1.1
351.08572	2.5
365.10211	0.7
366.10904	1.0
367.07867	0.7
381.13284	9.5
382.13937	2.6
397.12747	10.6
398.13165	1.2
409.12732	2.4
415.13684	2.3
416.14459	0.8
439.18506	1.9
441.19836	2.3
517.18219	1.1
541.14233	0.8
545.17920	6.8
547.19257	6.8
552.08301	0.5
565.20398	3.8
573.17401	5.2
661.27020	2.3
869.47290	0.6
872.35083	1.1
873.35040	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	873.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70587	0.6
61.08662	0.6
65.03894	0.7
69.03352	0.8
70.06508	5.7
72.08073	13.6
72.81100	0.6
74.44614	0.6
75.67980	0.7
80.12814	0.7
81.87402	0.6
85.02818	0.7
86.09626	1.3
89.03831	3.9
89.10712	3.4
91.05395	3.2
97.64166	0.7
105.03265	1.0
107.04873	0.8
109.02834	0.8
117.03328	19.2
119.04854	1.5
131.04779	0.8
135.04356	1.3
145.02823	66.1
146.03125	1.6
146.06006	9.4
147.04373	1.0
149.05977	8.0
162.05467	8.2
163.03825	1.1
177.05437	100.0
178.05771	3.9
180.10294	0.8
181.04941	5.6
186.05568	1.2
192.06509	0.9
201.05389	3.3
205.06454	1.2
207.06535	2.9
209.05997	0.9
219.07921	1.1
231.06494	2.7
234.06758	0.9
235.07494	3.6
237.05298	0.9
248.12766	5.9
249.05325	1.5
252.07707	7.5
263.06934	4.0
264.07605	1.6
265.05026	0.9
265.15408	31.6
266.15781	1.5
267.10034	1.0
277.08533	0.8
280.07227	6.2
289.08542	2.9
291.06406	1.0
292.07236	1.6
293.07977	1.2
295.06586	1.1
295.09528	7.0
305.08054	0.9
307.09549	3.9
308.06750	3.5
323.09232	5.7
345.70142	0.7
351.08572	5.9
353.10242	10.9
365.10034	0.8
441.20013	4.0
494.17532	0.7
679.28278	1.6
697.29761	6.3
855.32074	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	874.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05433	7.5
68.87685	0.5
69.06974	3.2
71.04895	0.9
71.08546	11.1
71.82580	0.5
76.01743	0.6
76.02142	10.8
76.03899	1.1
79.05396	4.3
81.03340	14.3
81.06974	6.4
83.04876	1.2
83.08543	1.1
84.04433	4.0
85.03944	2.1
85.06468	3.2
91.05408	4.9
92.10954	0.5
93.06974	5.7
95.04902	16.8
95.08540	9.0
95.09125	0.9
99.08042	6.5
105.06953	3.3
107.04908	0.8
107.08532	2.5
109.06467	0.9
109.10088	4.0
111.07967	0.6
114.36448	0.5
116.01618	4.1
117.06966	2.4
119.08546	2.7
121.10036	0.7
130.05008	4.5
131.04446	0.9
131.08543	2.5
133.10088	3.2
135.08069	0.8
135.11639	0.8
137.09605	2.2
139.11220	1.0
141.09076	2.5
142.03207	1.2
144.01129	1.1
145.06027	0.6
147.11609	0.8
149.09583	1.1
151.11160	100.0
152.11484	2.7
157.10059	0.7
159.11671	3.2
161.09560	2.9
162.02193	4.4
165.12692	2.9
177.03261	3.2
177.12698	6.6
179.04839	4.8
185.03709	0.8
187.05214	0.6
191.14326	1.0
223.90605	0.5
233.05856	0.9
247.20486	2.2
257.18954	1.0
275.19955	3.5
293.21054	73.8
294.21310	2.7
308.09091	13.3
521.38318	0.7
852.66962	0.7
874.52216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02280	0.3
70.06500	1.7
72.08076	2.8
72.28127	0.2
78.04636	0.7
78.76987	0.3
79.05405	1.3
81.03330	1.6
81.06971	0.4
83.45280	0.2
85.02808	0.4
85.32290	0.2
89.03822	4.3
89.68774	0.2
91.05396	1.6
94.04119	1.1
95.04865	0.6
98.05972	1.6
99.09141	1.1
103.05389	1.6
105.06979	1.5
106.04109	0.4
106.91609	0.3
107.04903	2.1
109.02818	0.3
109.06441	1.3
115.05410	1.6
115.08622	0.5
116.06252	0.3
117.03320	18.6
117.06976	2.5
119.04882	0.3
121.06405	0.4
122.03600	3.6
123.04373	2.1
124.05183	0.6
125.05929	0.4
129.68927	0.3
131.04883	1.6
131.08490	0.3
133.02800	0.4
133.06435	1.7
134.03552	1.0
135.04395	3.6
136.05257	0.4
137.05949	35.3
138.06276	0.6
144.05705	0.4
145.02818	74.6
145.06485	2.8
146.03166	2.4
146.05972	0.5
147.04372	0.6
148.05179	0.5
149.05956	9.1
151.03873	0.4
151.07518	1.5
152.04674	0.4
153.05408	2.3
155.05968	0.4
157.06438	0.3
159.07999	1.4
161.05986	2.9
162.03072	0.3
163.03821	2.3
163.07520	1.4
164.04491	0.3
165.05440	3.0
167.06995	28.7
168.07303	0.5
171.06453	0.5
173.05972	2.6
174.06628	0.4
175.07495	3.8
177.05426	100.0
178.05753	4.0
179.06996	0.3
179.53040	0.3
181.04929	8.1
182.05331	0.3
186.05461	0.5
187.07515	1.2
189.09105	3.0
191.03287	0.6
191.06976	2.8
193.08514	0.5
196.03699	0.4
201.05482	0.3
201.09027	0.3
203.07027	1.5
205.04675	5.1
205.08615	1.6
207.06528	1.1
215.06963	0.4
217.08554	2.5
219.06464	0.6
219.10086	0.3
231.06407	0.6
233.07971	0.4
235.09441	0.4
245.07912	0.3
246.11386	0.4
248.12630	0.3
253.08611	0.3
263.13809	0.6
269.08084	0.3
279.06625	0.3
279.13397	0.3
281.07932	0.3
291.13318	15.8
292.13675	0.4
298.08307	0.3
299.09097	0.6
305.07932	0.5
306.59207	0.3
307.09766	0.4
308.09860	0.3
312.09793	0.6
313.10461	0.6
336.10071	0.4
351.12289	0.4
368.11188	0.3
379.11499	0.3
383.14642	0.4
397.12692	0.6
409.12836	1.4
417.15228	3.6
429.15210	2.5
439.18649	3.5
468.02615	0.3
537.21045	1.1
550.18158	3.7
551.17834	0.3
563.18774	2.2
565.20605	5.6
575.18567	0.5
583.68445	0.3
593.20160	8.6
594.20392	0.6
650.19678	0.4
681.29919	10.1
682.30054	1.2
707.27783	0.4
857.34827	3.6
858.35876	0.4
875.26703	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	875.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51001	0.5
67.05428	19.3
69.06988	36.2
70.07346	0.9
71.04910	1.0
71.08547	25.4
75.04399	0.7
79.05401	6.5
81.06974	22.3
82.07300	0.5
83.08538	25.4
85.06451	0.7
85.10110	12.1
89.05957	0.6
92.64947	0.5
93.06978	10.7
95.08532	25.5
97.06469	3.5
97.09486	0.7
97.10101	13.6
98.98405	7.1
99.11645	0.6
103.07532	1.0
107.08534	6.4
109.10102	10.4
111.07995	1.7
111.11665	3.6
112.99963	100.0
115.11131	0.4
121.10105	8.4
123.11658	3.1
131.01006	2.1
135.11665	6.8
137.13266	1.0
139.11198	0.6
149.13251	2.7
155.00998	4.3
165.16359	0.7
169.02573	64.8
170.03052	0.6
177.16325	0.5
187.03627	2.4
228.45032	0.5
239.23708	1.2
257.24744	1.0
265.25238	2.5
313.27304	50.0
314.27643	4.1
330.36298	0.5
339.28879	86.1
340.29190	8.3
407.25497	13.4
408.25732	0.9
420.25662	0.8
433.27042	2.7
434.27368	0.6
642.86200	0.6
887.34644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05076	0.6
67.05425	13.7
68.05752	0.3
69.06988	27.8
71.04889	0.5
71.08547	15.0
71.17387	0.2
75.04346	0.3
79.05412	5.0
81.06971	18.4
83.04887	0.4
83.08536	18.2
84.32967	0.3
85.06456	0.5
85.10101	8.7
86.10428	0.3
89.05943	0.4
91.05375	0.6
93.06974	8.0
95.08531	19.7
96.08855	0.3
97.06435	2.0
97.10098	10.3
98.79728	0.2
98.98428	0.3
99.08007	0.4
99.11646	0.2
103.07537	0.4
107.08533	5.1
109.09399	0.4
109.10107	8.5
110.10410	0.3
111.08035	1.1
111.11678	2.4
112.94469	0.3
112.99960	100.0
121.10097	7.1
123.11668	2.3
125.09567	0.5
125.13211	0.3
131.01007	2.2
135.11650	4.5
137.13135	0.6
139.01459	0.3
139.11143	0.6
149.13228	1.8
153.12709	0.6
155.01048	0.3
161.58429	0.2
163.14787	0.4
165.16313	0.4
169.02571	72.3
170.02953	1.2
186.81468	0.3
187.03653	2.6
203.10616	0.3
239.23633	1.1
247.24165	0.5
257.24554	0.4
265.25217	1.4
313.27307	33.0
314.27695	1.8
339.28870	65.3
340.29153	4.6
348.99902	0.3
395.92068	0.3
407.25485	13.6
408.25784	1.1
432.47476	0.3
433.27200	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	876.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01326	0.6
69.03362	0.9
70.06506	4.8
71.04907	1.1
72.08066	5.0
75.27220	0.7
81.03337	30.6
84.23488	0.6
85.02831	7.0
89.03855	3.6
91.05404	2.6
95.04919	0.9
97.02821	17.8
99.04387	5.9
103.05430	0.8
107.04919	1.3
109.02834	100.0
110.03130	0.9
117.03296	5.5
119.04958	0.7
121.06464	1.6
121.93034	0.6
125.05957	0.9
127.03881	58.2
134.03598	0.9
135.04399	0.8
137.05878	1.1
139.03912	2.9
145.02843	19.5
146.03134	1.1
146.05983	6.6
147.04489	2.1
149.05989	4.2
153.05374	1.1
161.06013	0.8
162.05461	7.3
163.03978	1.4
167.07010	7.9
168.07280	1.1
169.04919	14.5
173.98184	0.8
175.03911	1.4
177.05443	19.9
178.05807	3.6
181.04955	1.4
191.06982	1.0
201.05432	4.7
211.06071	0.7
220.18025	0.8
222.06606	1.5
229.07037	8.5
231.06558	1.0
233.06099	0.8
234.06821	1.4
235.07545	3.0
237.09146	0.9
249.05397	1.2
250.06140	3.3
251.06828	2.6
258.25763	0.7
263.06906	6.5
264.07516	1.2
265.08551	4.4
267.06424	2.7
274.06339	0.7
275.06815	2.6
277.08304	1.1
278.05728	6.8
279.06442	4.1
289.09109	5.3
290.05853	1.3
291.06406	4.3
292.07169	1.2
293.08026	7.9
294.08478	3.2
295.06097	1.0
305.07803	0.9
306.05075	2.7
307.06003	3.2
308.06763	1.5
308.10199	0.8
309.11353	0.7
310.08282	1.0
315.39508	0.8
320.06677	1.1
321.07513	8.0
322.07855	5.0
323.09036	1.4
325.10608	5.0
326.11050	0.8
335.05408	5.5
335.09137	2.9
349.07074	6.1
353.06354	1.3
353.10153	7.9
354.10501	3.3
355.11667	1.0
365.10150	1.4
367.07971	11.2
367.11783	2.4
368.12064	1.0
493.10751	1.4
553.13159	4.4
581.19489	1.0
597.22217	2.8
598.22717	2.1
615.22968	1.4
616.23022	1.6
618.25250	1.4
619.25854	1.0
630.25177	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86438	0.2
69.03352	1.6
70.06509	1.3
71.04915	2.5
72.08054	0.5
81.03338	30.7
84.08057	0.3
85.02822	4.8
89.03844	0.4
92.81048	0.3
97.02824	14.7
99.04388	7.4
103.03869	0.4
107.04909	0.3
109.02832	100.0
110.03137	2.3
115.03855	0.3
117.03313	1.3
119.04903	0.4
127.03879	57.8
128.04208	1.4
137.06012	0.3
139.03859	4.6
145.02838	3.9
145.04942	0.4
146.06007	1.7
147.04395	0.5
147.06427	0.3
149.05949	0.3
161.05948	0.4
162.05402	1.9
167.06973	0.3
169.04933	14.0
170.05295	0.4
175.03857	0.3
177.05420	4.7
187.06007	0.6
211.05986	1.2
219.65779	0.3
220.05093	0.5
229.07028	8.1
234.06496	0.3
235.07498	3.3
248.04683	0.7
249.05377	0.5
263.07019	5.3
264.07584	0.5
265.04938	1.1
265.08597	1.4
271.08020	0.5
276.04132	0.4
279.06418	1.1
280.07169	1.9
287.03452	0.3
289.09177	4.8
291.06418	1.4
297.11121	0.4
307.05975	1.0
308.06601	0.6
322.08255	1.2
323.09085	13.6
324.09409	0.4
328.82486	0.3
340.09320	10.1
341.09802	0.6
342.00800	0.3
351.08456	0.6
359.03925	0.3
431.11359	0.7
449.12256	3.5
467.12970	0.5
527.15582	0.5
555.14966	4.9
693.23846	0.3
703.32452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03353	1.2
70.06505	1.3
71.04907	1.9
72.08070	1.0
81.03336	30.3
81.07005	0.2
82.03651	0.2
83.01279	0.2
85.02825	4.9
86.09629	0.3
91.05370	0.5
95.04857	0.2
97.02819	14.1
99.04384	6.0
103.03855	0.3
109.02827	100.0
110.03156	1.6
117.03314	1.0
127.03871	49.7
128.04211	1.4
130.06398	0.2
137.05927	1.0
139.03877	3.5
145.02821	3.0
145.04897	0.4
146.05966	2.6
147.04419	0.9
149.05942	0.4
162.05455	1.6
169.04916	11.8
170.05287	0.4
177.05440	3.6
178.05800	0.5
187.05954	1.2
205.04675	0.5
211.05986	0.4
220.05177	1.2
229.07033	6.9
234.06746	0.2
235.07481	4.5
237.09109	1.2
245.04434	0.5
248.04614	1.1
249.05324	1.0
263.06976	5.2
264.07553	0.4
265.04929	1.9
265.08493	2.1
269.07895	0.3
271.08078	0.5
279.06436	1.6
280.07242	2.4
289.09106	3.4
291.06433	1.7
293.04465	0.5
296.10229	0.3
297.07819	0.3
297.10907	0.3
298.24600	0.3
307.05914	1.2
308.06796	1.8
309.07062	0.3
313.10547	1.1
322.08276	1.8
323.09082	15.5
324.09286	0.5
340.09335	16.2
341.09802	1.1
351.08456	1.1
431.11252	1.1
449.12161	5.3
450.12854	0.3
467.13226	0.5
527.15198	0.4
555.14880	5.8
735.74835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02285	0.4
68.77555	0.3
70.06510	1.3
71.38567	0.3
72.08070	10.1
77.39741	0.3
78.04609	0.4
85.85234	0.3
89.03835	9.7
91.05396	0.5
92.10498	0.4
95.04863	0.3
98.05984	1.7
103.05387	0.4
106.04131	0.4
115.08649	0.5
115.62736	0.3
117.03324	37.9
118.03678	0.5
119.04870	0.6
119.06870	0.3
121.06475	0.4
134.03621	2.7
135.04404	3.5
137.05067	0.4
137.05951	10.8
143.04893	2.0
145.02823	95.0
146.03162	2.7
146.05986	5.1
147.04428	0.6
147.06339	1.2
149.05960	13.7
151.03897	2.4
151.07544	0.3
152.07057	3.1
152.43132	0.3
160.05183	0.5
161.05904	0.5
162.05469	2.8
163.03824	1.3
163.05824	0.6
164.07036	0.4
174.05406	1.1
175.03992	0.5
175.05910	0.5
175.07495	1.7
177.05434	100.0
178.05713	2.1
186.05455	1.0
188.04727	0.5
191.06960	0.6
191.09317	0.5
192.06546	0.4
194.07266	0.5
201.05399	8.2
203.06940	4.4
204.05623	0.4
205.06461	7.9
206.11725	4.7
219.07977	0.5
220.05258	0.5
221.06088	0.7
222.06683	3.6
223.14308	2.2
233.05920	4.9
234.06676	1.4
235.07422	3.1
237.09042	10.0
239.07034	0.5
247.07521	0.4
248.04625	0.7
248.12874	2.2
249.05382	0.6
249.12300	0.6
250.06165	4.9
251.06978	1.5
256.05905	3.7
263.06964	4.4
264.07660	2.1
265.08521	15.2
265.15363	3.7
266.09009	1.4
267.06461	1.1
276.04059	1.7
278.05609	1.3
279.06351	1.2
279.10129	0.5
280.07300	2.1
281.07855	0.4
282.08786	2.0
291.06424	7.6
291.13266	2.0
292.07193	2.3
293.04736	0.6
293.07986	7.4
295.09235	0.4
297.11270	2.6
298.10919	0.7
305.27686	0.3
307.09552	2.5
308.06778	2.9
309.07336	0.7
310.08273	1.7
312.50159	0.4
323.09076	14.3
324.09390	0.7
325.10638	28.2
326.10977	1.2
336.06226	0.7
341.11108	1.2
351.08548	2.6
396.17975	5.6
399.19092	3.7
411.18970	2.4
413.20587	8.7
421.17548	0.5
422.16019	4.1
439.18546	18.3
440.18652	0.7
465.16507	1.2
491.17267	0.4
510.25583	1.7
527.28326	2.0
553.26251	0.5
587.23975	2.7
589.25360	7.9
590.25165	0.4
615.23279	9.0
685.31677	1.2
686.30157	1.3
703.33228	25.2
704.32916	2.0
729.30725	0.5
858.92419	0.3
879.37762	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	879.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06522	0.4
72.08068	9.2
77.99287	0.4
78.04628	0.6
81.03319	0.4
89.03828	11.4
91.05397	0.8
94.71113	0.4
98.05966	0.8
107.09747	0.3
109.02821	3.4
117.03323	39.1
118.03655	0.6
127.03875	2.3
134.03596	2.2
135.04361	2.9
137.05951	0.6
138.82010	0.4
140.28453	0.3
145.02818	100.0
146.03143	2.3
147.04427	0.5
149.05956	12.4
162.05428	0.5
163.03818	0.8
177.05424	98.0
178.05724	2.5
186.05418	0.7
201.05380	12.5
220.05130	2.0
235.07487	9.5
237.09126	1.2
248.04562	3.3
248.12744	4.5
256.05969	7.9
263.06952	15.8
264.07520	1.7
265.04871	1.9
265.08533	2.1
265.15308	1.9
280.07187	5.3
282.08954	0.5
291.06430	20.3
292.06863	0.4
295.09570	1.5
296.10101	1.2
297.11127	0.8
298.10547	2.5
308.06647	2.8
313.10641	2.9
323.09061	55.9
324.09311	3.0
327.08307	0.6
341.11203	1.6
393.17270	0.4
394.16281	2.3
411.19116	5.0
421.17221	0.6
422.15887	7.3
439.18533	26.6
440.18445	0.6
465.16302	1.5
587.23724	9.1
588.23944	0.6
614.80365	0.4
615.23242	31.0
616.23022	2.1
647.15466	0.4
703.32892	2.7
861.36725	0.6
879.36224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06511	2.7
72.08060	7.7
81.03326	1.8
84.04420	0.4
84.08079	0.5
86.09621	0.7
89.03835	6.0
89.10710	2.0
91.05395	1.4
97.02811	0.7
103.05419	0.4
106.02988	0.3
109.02827	3.9
110.03130	0.7
110.07124	0.5
117.03324	19.9
119.04874	0.8
120.08064	0.4
127.03902	2.8
129.10156	0.3
134.03607	1.9
135.04398	1.4
137.05952	2.2
139.23323	0.3
145.02818	53.6
146.03107	0.7
146.05934	2.7
147.04338	0.8
149.05946	7.2
162.05467	2.2
163.03896	0.6
177.05424	62.2
178.05775	2.4
178.07626	0.4
186.05475	0.7
189.06882	0.7
190.07648	0.4
201.05379	0.6
205.06412	0.5
206.07362	0.6
207.06358	0.5
219.07890	0.5
220.05133	2.1
223.07298	0.4
229.07048	0.4
231.04355	2.7
233.05936	1.3
234.06772	2.3
235.07486	1.8
237.05362	1.4
237.09085	0.4
245.06068	0.4
247.03926	0.4
247.14308	0.7
248.04620	4.6
248.12701	2.8
249.05426	0.6
252.07759	0.5
256.05981	0.7
259.03857	11.1
260.04474	0.6
261.05371	2.5
262.06186	13.8
263.06866	4.4
264.07648	0.6
265.04840	1.3
265.08456	0.6
265.15402	7.0
274.06000	0.4
276.04123	12.0
277.04733	1.7
277.08353	0.6
278.05627	0.8
279.06421	23.0
279.09479	0.9
280.07104	2.3
281.04416	0.4
287.03302	24.4
288.04062	5.9
289.04880	0.5
290.05609	10.8
291.06442	18.0
291.13235	2.7
292.07028	2.3
293.04416	2.7
293.07632	0.9
304.03561	5.7
305.04330	1.7
307.05936	1.6
307.09485	1.7
308.06705	10.2
318.05130	1.9
319.05945	36.2
320.06229	0.7
321.07480	0.5
323.09064	43.2
324.09412	1.6
325.10620	4.0
333.07404	1.7
336.06152	1.5
350.10364	2.5
351.08536	100.0
352.08875	4.7
421.17410	0.8
422.16006	2.5
439.18552	13.9
440.18747	0.6
465.16260	0.7
527.28540	0.7
582.10663	0.4
589.25067	0.6
615.23291	13.4
617.74969	0.4
685.31836	1.3
703.33167	34.3
704.32953	2.6
879.37787	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	879.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02299	0.5
70.06504	0.7
72.08068	12.7
78.04611	0.4
83.79552	0.5
84.08092	0.4
86.09631	0.4
89.03832	10.6
89.10731	0.4
91.05410	2.4
92.10956	0.4
98.05968	4.4
103.05373	0.6
115.08640	2.3
117.03324	36.5
118.03596	0.4
119.04896	1.8
124.05213	0.4
131.04865	0.4
133.02809	2.4
134.03604	2.6
135.04378	3.9
137.05977	5.3
145.02815	100.0
146.03146	1.8
147.04413	2.0
149.05943	15.4
150.06703	0.8
159.04375	0.8
161.05946	0.9
163.03845	3.2
165.05452	0.6
173.05930	0.5
174.03017	0.6
175.03860	4.9
177.05423	94.8
178.05783	2.5
186.05475	0.8
187.03868	3.7
191.03400	0.5
193.04955	0.5
201.05370	3.1
205.04895	0.6
205.06516	1.6
206.11526	0.4
215.12041	0.4
222.06560	0.6
227.56195	0.5
233.05879	1.7
235.07524	0.5
237.08829	0.5
247.14482	0.5
248.12695	2.7
249.05457	0.5
250.06143	1.4
259.85751	0.4
261.05566	0.5
263.07080	0.9
263.13776	0.5
264.07727	1.5
265.04977	3.0
265.08530	2.2
265.15384	5.2
275.06784	0.4
278.05566	0.5
280.07037	0.7
282.08688	0.9
289.11771	0.4
291.06430	1.9
291.13446	4.4
292.07202	2.6
293.04330	5.4
293.07907	1.8
295.09720	1.5
307.09641	4.0
308.06711	56.0
309.07019	2.5
319.05783	2.2
321.45999	0.4
323.09091	3.5
325.10672	7.9
326.10950	0.6
336.05994	0.7
351.08527	23.5
352.08884	0.5
413.20477	1.9
421.16992	0.5
422.15811	11.0
439.18536	19.8
440.19177	0.6
465.16159	0.6
510.25534	0.5
527.28247	2.1
589.25439	3.4
615.23041	7.3
685.31812	1.7
686.30634	0.7
703.33173	49.3
704.33813	4.4
704.45227	0.4
729.31519	0.4
869.63593	0.5
879.24365	0.5
879.37616	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	879.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31253	0.4
65.61318	0.3
67.05428	12.9
69.06996	4.9
70.06504	1.8
71.08518	0.6
75.02156	0.4
79.05399	3.4
81.06973	13.6
83.08536	2.7
88.07546	1.6
91.05395	2.7
92.10177	1.0
93.06967	4.4
95.08528	11.6
97.06456	0.5
97.10104	0.8
105.06960	1.8
106.08641	0.6
107.08541	1.7
109.10098	3.6
112.99963	100.0
119.08537	1.6
121.10097	1.6
123.11620	1.5
129.31924	0.4
131.01004	2.0
133.10080	0.8
135.11697	0.6
146.41963	0.4
147.11658	0.4
149.13237	0.4
154.02602	0.5
163.14746	0.6
163.16039	0.4
169.02573	60.6
170.02916	0.8
245.22546	2.7
263.23651	4.0
302.30487	9.2
303.30801	5.3
337.27234	13.9
355.94531	0.5
795.73846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02295	0.1
67.01800	0.2
68.99719	0.4
69.03342	0.2
71.04916	0.8
78.04617	0.2
81.03336	11.6
82.03687	0.1
85.02824	1.6
89.03831	4.9
91.05396	0.5
97.02222	0.2
97.02821	4.3
99.04382	5.1
103.05363	0.1
106.04133	0.2
109.02828	32.3
110.03165	0.2
114.80545	0.1
117.03326	19.9
117.94964	0.1
118.03712	0.2
119.04849	0.1
124.05204	0.2
127.03873	17.9
128.04179	0.1
130.92741	0.1
134.03590	1.0
135.04372	1.8
139.03893	1.0
141.05443	0.2
145.02821	63.5
146.03151	1.1
147.04414	0.2
149.05954	7.4
150.36606	0.1
158.05920	0.1
162.03096	0.2
163.03853	0.6
169.04929	17.4
170.05293	0.1
175.03902	0.2
177.05432	100.0
178.05774	2.1
185.05885	0.2
186.05458	0.9
197.05922	0.1
211.05995	0.2
214.06340	0.1
215.06897	0.2
217.08719	0.1
221.04417	0.5
229.07005	1.3
243.06447	0.2
253.04945	0.2
257.07938	0.1
259.09650	0.2
270.05081	0.1
285.07458	2.8
289.09073	0.8
303.08569	4.6
345.09598	13.0
346.09692	0.4
395.61337	0.1
557.16412	7.6
558.16504	0.2
715.21313	0.1
858.78802	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	880.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08101	0.9
62.68777	0.7
63.18892	0.8
70.06511	4.7
70.20608	0.9
71.04905	1.0
72.08070	0.9
81.03342	9.7
81.06971	0.8
86.09634	1.5
89.03856	5.3
91.05431	1.4
92.10243	0.8
94.39275	0.9
97.02821	1.5
99.04400	10.5
109.02820	19.9
117.03333	20.6
127.03878	33.9
135.04395	1.4
145.02827	70.0
145.04909	4.4
146.03177	1.0
147.04314	1.4
149.05988	8.7
169.04918	17.2
177.05435	100.0
178.05734	1.9
187.05994	2.0
198.86143	0.8
229.07024	5.4
285.07437	1.3
303.08636	4.3
345.09573	9.4
346.10104	1.2
557.16229	6.5
589.56995	1.0
613.72046	0.9
788.00885	1.0
874.27539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02313	0.2
67.01796	0.5
68.99703	0.2
69.03341	0.3
71.04916	0.8
77.03828	0.1
78.04626	0.2
79.30065	0.1
81.03337	16.2
81.94567	0.1
82.03668	0.1
82.93429	0.1
85.02840	2.0
89.03840	5.9
91.05421	0.6
95.04885	0.2
97.02824	5.7
97.03458	0.2
99.04385	6.0
103.03865	0.3
103.05401	0.2
106.04116	0.2
109.02833	46.5
110.03127	0.1
113.02262	0.1
117.03331	23.6
118.03668	0.3
119.04908	0.5
124.05198	0.2
127.03879	26.8
128.04208	0.3
134.03613	1.5
135.04390	2.0
139.03883	1.9
145.02827	66.5
146.03149	1.2
147.04405	0.2
149.05957	8.4
158.05865	0.2
163.03870	0.8
169.04933	18.2
170.05353	0.2
175.03880	0.6
177.05438	100.0
178.05754	2.3
185.05972	0.2
185.80107	0.1
186.05408	1.0
187.06020	0.5
187.07509	0.2
211.05965	0.2
215.06972	0.6
217.08519	0.2
221.04419	0.1
229.07013	2.7
243.06448	0.2
260.88873	0.2
285.07529	2.4
289.09125	1.3
303.08600	4.2
345.09625	10.6
346.09744	0.7
404.02707	0.2
428.79694	0.2
502.01822	0.1
557.16376	4.2
558.16260	0.2
750.54242	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	880.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44512	1.1
70.06523	14.1
72.08075	13.6
76.00624	1.2
81.03336	5.8
84.08069	2.2
85.02814	1.6
86.09631	5.0
89.03847	5.7
91.05406	32.9
98.05994	1.3
103.05428	2.0
109.02832	2.3
110.07119	4.8
117.03317	18.2
119.04896	54.7
120.08073	2.7
127.03926	1.7
130.06497	50.1
131.01158	1.3
131.06845	1.7
132.02026	1.7
135.04378	2.1
137.05962	1.5
144.08086	7.4
145.02823	51.0
146.03165	3.0
146.06026	5.9
147.04390	50.9
148.04684	1.9
149.05995	5.7
157.03961	1.9
162.05467	2.7
164.04547	1.2
172.07489	9.0
173.33382	1.3
175.03867	82.9
177.05421	38.8
178.05762	5.8
179.07016	4.7
207.06497	100.0
208.06773	1.5
225.50026	1.4
279.03110	1.4
308.06754	15.3
309.07062	5.3
325.10233	1.5
351.08792	8.0
369.11682	7.3
422.15860	1.6
423.15994	1.6
439.18408	8.5
440.18893	1.7
463.18195	9.1
537.18262	1.6
644.79926	1.4
703.32990	9.5
704.32971	7.3
754.24756	1.5
881.29834	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	883.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06494	11.5
72.08061	2.6
81.03331	12.8
85.02811	2.8
97.02818	11.2
109.02831	19.6
127.03862	16.8
145.02863	10.9
146.05977	23.9
147.04405	5.0
147.06351	2.7
158.66315	2.2
159.89154	2.1
162.05447	25.0
175.03864	4.0
177.05470	13.4
183.04276	2.3
207.06380	4.2
213.12685	5.0
222.48271	2.3
224.40662	2.4
235.07602	2.7
246.78125	2.5
263.06946	4.5
323.09189	10.5
535.12073	3.6
595.13824	10.2
836.12292	3.1
855.71277	2.7
883.22321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03863	0.7
66.08792	0.3
67.05424	40.5
69.06986	24.3
71.04902	0.8
71.08537	0.8
79.05400	10.9
80.03408	0.4
81.06969	42.5
82.07276	0.4
83.04882	0.9
83.08540	11.1
85.06464	0.5
91.05402	6.1
92.10815	0.7
93.06975	11.9
95.04879	1.5
95.08532	32.4
96.08871	0.4
97.06467	2.8
97.10095	4.7
98.98401	5.2
99.08051	0.8
104.13813	0.3
105.06968	5.3
107.08549	7.1
109.10098	12.4
111.08020	0.7
111.11666	0.6
112.99959	42.0
113.09573	0.5
116.99454	0.4
119.08532	5.8
121.10106	5.2
123.08014	0.4
123.11645	5.1
125.09559	0.5
130.47939	0.4
131.01015	0.9
133.10109	4.0
135.11656	2.9
137.13235	1.8
144.33717	0.4
147.11661	2.2
149.13182	0.8
151.14774	0.4
155.01028	2.5
161.13199	2.2
169.02562	15.4
175.14772	1.3
187.03659	2.6
210.97896	0.4
211.58487	0.4
211.60497	0.4
215.76605	0.4
245.22610	2.1
263.23627	6.0
337.27283	100.0
338.27570	4.7
376.47034	0.4
479.91235	0.4
779.86481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03852	0.5
67.05426	53.7
69.03355	0.4
69.06986	30.2
69.83173	0.4
71.04900	0.8
71.08533	1.7
79.04963	0.5
79.05404	13.0
81.06972	52.8
82.07297	0.7
83.04876	0.8
83.07776	0.5
83.08537	14.4
85.04784	0.3
85.06451	1.5
91.05405	9.7
93.06966	13.4
95.04883	1.9
95.08529	40.2
96.08858	0.7
97.06454	3.3
97.10095	6.9
98.98390	7.8
99.08017	1.6
105.06969	6.8
106.92118	0.4
107.08538	7.8
109.06492	0.7
109.09393	0.7
109.10098	13.6
111.08009	1.5
111.11634	0.6
112.99959	53.5
115.07502	0.4
116.99475	0.4
119.08534	6.5
121.10096	5.9
123.08012	1.5
123.11642	6.2
124.75964	0.4
125.09566	0.7
125.59001	0.3
131.00992	0.8
133.10103	5.7
133.19238	0.4
135.11644	3.5
137.09581	0.7
137.13231	2.1
147.11673	3.2
149.13240	1.4
151.14787	0.6
155.01031	4.2
161.13255	2.7
163.14780	1.7
169.02574	18.9
169.03998	0.8
173.02176	0.4
175.14749	1.5
187.03595	2.2
189.16371	0.5
245.22504	2.7
263.23639	7.2
337.27283	100.0
338.27551	5.2
403.29419	0.4
431.25748	0.7
469.42163	0.4
681.31274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33055	0.7
70.06502	4.7
72.08075	1.6
81.03344	1.5
85.77377	0.7
86.09615	1.0
87.36607	0.6
89.03844	2.6
91.05460	0.9
99.04420	0.7
109.02865	3.6
117.03321	10.1
127.03876	2.3
127.97272	0.7
130.06485	0.8
135.04436	1.0
145.02826	20.8
146.03175	1.0
149.02109	0.9
149.06036	2.7
158.68294	0.7
169.04965	1.2
177.05438	25.2
178.04291	0.6
178.05843	1.2
199.03676	6.9
331.07953	1.0
333.33896	0.7
343.07855	13.4
385.08261	0.8
403.09866	0.7
579.14716	2.9
597.16040	6.2
866.65564	0.9
885.24030	100.0
886.24298	12.8
905.31671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17498	0.4
70.06514	0.7
70.31525	0.4
72.08070	0.4
73.03724	0.4
76.55626	0.4
81.03344	2.8
84.04438	0.5
89.03835	3.4
97.02829	0.6
99.04368	0.7
100.58036	0.4
109.02831	3.6
117.03327	10.7
117.04088	0.6
118.17549	0.4
121.37685	0.4
127.03878	3.0
132.78522	0.4
145.02823	24.6
146.03168	0.6
149.02055	0.5
149.05905	3.7
151.51181	0.5
167.49646	0.4
169.04962	2.2
177.03893	0.9
177.05432	23.4
178.05800	1.7
189.05183	0.4
199.03619	5.1
259.15237	0.4
329.08539	0.5
343.07828	17.1
344.08362	0.5
361.09171	0.6
367.17087	0.4
385.08624	0.6
421.11026	0.6
579.14716	3.0
597.15894	4.2
825.21704	0.6
885.24042	100.0
886.24164	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82567	0.4
81.03349	3.1
89.03834	3.4
90.44769	0.4
99.04395	0.8
109.02820	4.8
117.03321	11.1
118.03649	0.5
127.03893	3.2
145.02815	27.1
146.03188	0.8
149.02141	1.8
149.05991	2.3
169.04936	2.7
177.05417	28.4
178.05786	2.8
199.03656	6.1
233.94472	0.5
259.05841	0.6
329.08676	0.9
332.74054	0.4
343.07800	14.9
343.11786	0.7
344.08133	0.6
385.09253	0.6
386.35596	0.4
421.10812	0.5
579.14813	2.7
597.16217	1.5
665.73547	0.5
871.81738	0.5
885.23975	100.0
886.24225	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	887.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75361	0.2
63.45031	0.2
67.05429	16.1
69.06989	29.9
71.04903	1.1
71.08546	5.7
73.06484	0.3
74.67503	0.2
79.05408	6.9
81.06976	18.8
83.04887	0.5
83.08539	22.3
85.06472	1.1
85.10123	2.3
85.70555	0.2
88.37597	0.2
91.05402	1.0
92.00648	0.2
93.06973	10.7
93.94928	0.2
95.04893	0.3
95.08534	19.1
96.08841	0.3
96.97586	0.2
97.06468	3.0
97.10101	12.4
98.98392	4.5
99.08012	0.6
103.29908	0.3
107.08543	6.6
109.10102	9.7
111.08047	2.1
111.11668	3.1
112.99966	39.2
114.36186	0.3
121.10106	10.0
123.11660	2.3
125.09611	1.3
125.13184	0.3
131.01006	0.5
135.11671	8.2
137.13222	1.0
139.11154	0.6
149.13220	3.6
151.14777	0.6
153.12729	0.3
155.01016	5.2
163.14764	1.1
165.16385	0.4
169.02571	21.1
172.95305	0.3
186.96727	0.5
187.03647	1.4
204.97862	0.4
205.19498	0.3
247.24185	1.5
265.25204	5.2
339.28879	100.0
340.29214	5.7
344.02283	0.3
419.25531	1.1
433.27075	3.4
856.42151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06023	13.8
67.05424	5.3
69.06987	2.4
71.08552	17.4
76.19563	1.0
81.06979	5.6
83.08562	4.9
85.10117	8.3
86.09628	11.9
95.08530	9.9
97.10124	2.4
98.98392	5.8
104.10685	37.2
105.11016	2.6
109.10120	6.8
124.01607	1.4
125.00038	1.4
146.98154	2.3
155.01051	5.8
173.58627	1.1
184.07336	4.7
215.50372	1.1
239.23705	1.9
282.27829	14.4
310.17786	1.3
313.27325	100.0
314.27679	8.3
393.10065	1.4
393.23990	5.1
436.28159	25.5
454.23309	2.1
454.29245	35.2
455.29520	1.6
459.24606	4.6
460.24887	5.6
510.20633	1.5
518.31787	7.4
519.32867	8.3
520.32715	2.2
588.46680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03870	0.3
67.05433	0.1
69.06970	0.2
70.06506	0.5
72.08070	22.7
75.09160	0.5
81.06976	0.2
82.06509	1.2
83.04901	0.3
83.08540	5.6
84.08067	0.8
84.08848	0.1
85.06490	0.2
89.25978	0.1
91.04842	0.1
91.05405	4.2
92.10893	0.2
96.08035	0.1
98.09615	1.0
100.07539	2.1
100.11190	30.7
101.07092	0.1
101.11533	0.3
110.06000	1.1
110.09593	0.1
111.04386	2.6
112.07536	1.0
112.11195	2.7
117.13850	0.7
119.04899	15.2
126.09090	0.7
127.08665	0.8
128.07051	2.1
129.05501	0.2
129.13844	1.7
139.08627	1.8
140.07080	0.8
146.16533	0.5
147.04390	100.0
148.04723	2.2
155.11755	1.5
164.14313	0.2
168.13748	0.1
172.14432	0.6
174.13022	0.1
176.10699	0.6
180.46683	0.1
182.15375	10.7
183.15768	0.2
192.13794	0.5
203.11780	5.7
204.10176	57.7
205.10504	1.8
209.16457	13.0
210.14861	12.7
210.16438	0.5
211.15170	0.2
218.11734	2.7
221.12805	4.5
226.19106	4.5
227.17511	0.6
228.15829	1.2
274.19058	2.4
275.17471	10.3
276.17792	0.5
292.20145	20.3
293.20358	0.9
308.26846	0.2
318.17975	0.2
326.27957	2.6
335.24408	0.6
336.22742	3.0
336.26575	0.2
367.16608	0.4
388.68558	0.1
417.32205	0.6
421.21185	1.1
435.33234	5.8
436.33331	0.4
438.23798	40.0
439.24118	3.0
453.34277	49.1
454.34515	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	891.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47816	1.3
70.06510	15.4
72.08074	16.9
74.02750	1.6
81.03325	3.2
84.08081	2.1
85.02830	2.0
86.09681	1.7
89.03837	12.7
91.05392	11.2
95.04906	17.7
98.05999	21.3
103.05427	2.6
105.07014	2.7
107.04898	2.2
109.02814	2.4
115.08636	14.6
117.03320	46.2
118.92014	1.7
119.04916	14.5
123.04395	17.9
124.04000	1.9
130.89134	1.5
131.04924	2.7
134.03632	2.2
135.04399	6.0
137.05981	7.3
140.04634	2.4
145.02827	100.0
145.06528	1.8
146.03185	1.9
146.06007	19.4
147.04408	11.4
147.06291	2.3
149.05956	19.7
151.07509	1.8
153.05397	1.8
155.06976	7.0
161.05951	3.3
162.05472	23.7
163.03851	2.0
163.05876	2.8
163.07498	2.0
167.06966	15.9
173.05995	1.7
175.03940	13.9
175.07550	1.6
176.04631	2.3
177.05434	87.9
178.05849	3.7
181.04909	26.7
183.06488	9.1
190.05035	2.1
191.07060	5.8
195.06352	1.7
201.05469	9.4
207.06519	10.2
209.08025	2.9
217.08626	2.3
219.06464	3.9
225.07506	2.1
247.07460	1.9
264.07675	2.0
301.10730	3.2
307.09790	2.2
353.09848	1.8
417.19922	8.0
555.23444	1.7
667.28094	1.9
679.28900	2.6
697.30322	14.5
715.30609	3.8
763.43585	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	891.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03868	3.8
67.05429	1.8
67.74781	0.4
69.03349	0.7
70.06527	3.1
72.08079	3.5
79.05406	3.5
79.08295	0.3
81.03328	0.8
82.04111	0.9
85.02828	2.4
89.03835	4.6
91.05419	2.5
93.03323	0.5
94.04098	0.7
95.04893	2.8
97.06469	1.4
98.05963	0.9
99.09161	0.8
103.05428	0.7
103.10216	0.4
105.03344	0.6
105.06978	1.8
107.04887	7.1
109.02841	0.7
109.06507	0.5
110.03622	1.9
111.04387	1.5
115.05390	0.8
115.08677	0.4
117.03332	21.8
117.06995	1.8
119.04906	0.8
121.06487	0.9
122.03576	2.8
123.04399	2.5
124.05193	1.8
125.05948	2.3
127.03835	0.7
131.04866	0.8
133.02815	3.3
133.06439	1.5
134.03639	1.4
135.04370	3.7
137.05952	23.3
138.03104	0.9
138.06294	0.5
140.04675	0.5
142.02637	0.5
145.02831	77.3
145.06494	3.2
146.03157	3.0
146.06010	3.1
147.04396	2.3
147.08026	1.3
149.05956	10.3
150.03123	0.4
151.03848	0.7
151.07526	2.5
153.05513	0.9
155.07019	1.5
159.04393	0.5
160.05231	0.6
161.05988	3.6
162.05487	2.4
163.03870	2.4
165.05444	5.3
167.07021	11.6
168.07367	0.4
171.06487	6.2
173.05989	3.0
175.03920	0.5
175.07477	2.0
177.05438	100.0
178.05792	4.8
181.04922	71.3
182.05278	2.6
183.06354	0.4
186.05504	0.7
189.05429	0.9
191.03383	0.5
191.07019	0.8
193.08560	1.9
195.08063	0.5
201.05511	0.6
203.06985	4.8
205.06590	0.5
205.08594	2.1
207.06450	4.2
217.08592	0.5
219.06464	2.1
221.08104	5.1
223.07411	0.5
231.06456	2.0
231.25343	0.4
232.07286	4.2
233.07953	2.8
248.12952	0.4
263.06781	0.5
263.13855	0.5
265.08310	0.6
277.08514	1.5
279.08792	0.4
281.08121	0.4
281.11502	0.4
291.13342	13.1
293.08054	0.6
294.08762	0.7
297.07483	0.6
298.08008	0.5
308.10068	0.5
312.09967	0.5
323.09201	0.9
336.09628	0.4
337.10550	4.0
340.09219	0.5
340.90094	0.4
365.52676	0.4
367.11719	0.4
369.13049	0.4
381.13239	8.8
382.14038	3.8
385.12903	0.5
387.14328	5.0
403.13608	2.8
413.12350	6.3
415.13739	2.8
433.14609	1.9
439.18469	4.4
561.17731	0.4
563.18823	0.7
565.20581	6.1
579.18488	11.2
580.18762	0.9
591.17889	1.6
609.18805	1.3
649.26996	0.5
661.27167	0.8
667.28210	2.2
679.27966	1.8
697.29840	3.7
843.32220	0.5
873.32880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11343	0.2
69.03349	1.3
70.06502	0.3
72.19366	0.2
73.02834	0.2
79.28471	0.2
81.03337	5.0
85.02841	1.1
86.09653	0.2
89.03907	0.2
91.05411	1.2
92.10931	0.6
96.41472	0.2
96.56170	0.2
97.02814	1.6
99.04425	0.2
101.13071	0.2
107.04876	0.2
109.02076	0.3
109.02827	8.3
111.04443	0.2
116.04916	0.9
117.03309	0.7
119.04876	1.4
124.03837	0.2
127.03873	3.5
128.04933	1.1
132.04402	1.2
134.05980	2.3
144.04413	1.6
145.02798	1.6
146.05984	62.0
147.04402	1.8
147.06290	1.3
148.03923	0.8
149.05975	0.2
152.37733	0.2
161.04695	0.3
162.05467	100.0
163.03836	0.2
163.05818	2.6
174.05464	7.0
175.03862	3.0
175.05449	0.2
175.05748	0.2
177.05397	2.8
188.07092	0.3
190.04955	10.8
192.06534	3.5
196.07527	0.2
204.06561	1.1
207.06490	3.2
208.06010	6.0
224.07039	0.3
232.06033	0.2
246.07506	0.3
250.06967	0.2
252.06328	0.3
254.08078	0.9
262.07144	0.4
270.07556	1.9
280.07962	0.3
282.07541	0.3
298.07028	0.6
298.10266	0.2
300.08609	1.9
316.08081	5.1
318.09644	1.7
334.09152	3.4
336.10809	1.4
352.10199	3.4
353.10364	0.2
369.11624	0.2
472.31445	0.2
489.12628	0.3
541.14673	0.2
543.15656	0.3
559.14960	1.1
662.39661	0.2
667.16315	0.2
893.56647	1.0
894.57642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03867	0.7
67.09072	0.1
70.06504	0.2
72.08070	23.3
73.08392	0.2
75.09157	0.5
84.08051	1.0
91.05405	6.3
92.10988	0.2
107.04890	0.2
112.11195	2.5
119.04893	18.6
120.05204	0.4
126.09122	0.1
129.13828	1.5
146.06023	0.2
146.16492	0.6
147.04388	100.0
148.04721	2.7
151.03885	0.3
155.11777	1.2
162.05486	0.3
172.14450	0.5
176.10712	0.7
177.05415	0.2
185.52184	0.1
203.11771	4.6
204.10172	48.9
205.10541	1.7
218.11731	2.6
221.12817	4.0
274.19040	2.6
275.17465	8.4
276.17892	0.3
291.06677	0.1
292.20142	16.4
293.20499	0.7
306.02560	0.1
318.18027	0.2
367.16373	0.5
420.22849	0.2
421.21161	0.9
438.23795	43.3
439.18533	0.3
439.24026	3.4
457.21017	0.2
641.44562	0.1
671.36700	0.2
727.27289	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	895.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03365	1.8
70.06515	2.8
72.08049	0.8
73.02786	0.4
81.03334	7.2
84.08060	0.6
85.02826	0.5
86.09630	0.5
89.03819	0.9
91.05398	2.1
92.10310	0.8
95.04842	0.4
97.02814	2.5
98.05967	0.5
99.04391	0.6
107.04916	0.5
109.02827	11.0
116.04912	0.5
117.03343	2.8
118.06470	0.6
119.04896	0.5
124.03907	0.5
127.03876	6.2
128.04892	1.6
130.06491	0.8
131.14732	0.3
132.04468	1.4
133.10173	0.4
134.06003	0.8
137.05965	0.5
139.59190	0.4
144.04416	1.6
145.02815	7.4
146.05984	100.0
147.04398	2.4
147.06367	2.0
148.03899	0.4
149.05974	1.7
151.03815	0.5
162.05467	79.8
163.03850	0.5
163.05806	2.3
174.05464	13.2
175.03860	1.7
177.05428	7.4
177.77089	0.4
178.05794	2.0
188.06987	0.7
190.04959	9.3
192.06531	4.3
201.05495	0.5
207.06509	1.9
208.05997	4.4
226.08633	0.5
234.08342	0.4
246.07509	0.8
254.08054	2.1
270.07584	0.9
282.02774	0.8
298.06870	0.5
300.08698	3.3
316.08115	5.4
318.09708	3.4
323.09103	0.6
334.09113	2.3
336.10645	3.6
348.51578	0.4
352.10168	3.0
532.21063	0.5
615.15863	0.9
633.17004	0.7
651.17487	2.0
652.28845	0.6
741.29688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.363
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48878	0.6
67.66779	0.6
69.03321	0.5
70.06498	5.0
72.08057	4.2
75.29309	0.6
77.41161	0.6
89.03826	5.4
91.05396	1.0
98.05939	0.9
105.06962	0.7
109.02842	2.7
117.03325	9.5
119.04890	1.4
124.03887	1.1
127.03866	1.3
135.04370	0.9
145.01714	1.1
145.02831	23.3
146.05968	10.4
147.04399	1.2
149.05972	3.8
162.05449	9.5
171.15076	0.7
174.05457	0.9
175.03859	1.2
177.05443	24.2
178.05740	0.9
193.63370	0.7
201.05449	2.7
207.06458	0.9
210.12102	0.7
256.05975	1.1
263.07126	0.8
278.23160	0.7
281.12723	5.0
282.02866	0.7
292.03607	0.7
323.09103	1.3
372.38123	0.8
404.78107	0.8
439.18503	2.8
455.21356	1.4
477.19876	100.0
478.20267	5.6
478.26196	0.7
613.21277	1.5
701.31018	1.6
709.55560	0.7
859.34564	5.2
877.35730	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	896.281
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03348	1.0
70.06519	1.6
71.04929	1.4
72.08084	3.9
81.03333	29.7
85.02853	5.9
85.03288	0.7
89.03861	1.1
91.05434	1.5
97.02818	13.7
99.04385	6.6
109.02831	100.0
110.03118	1.0
117.03348	5.5
119.04859	1.3
127.02930	1.7
127.03871	49.6
131.04921	0.9
137.06009	0.8
139.03874	4.3
145.02811	13.6
146.03145	1.3
146.05995	9.7
147.04420	1.4
147.06274	0.9
149.06010	1.5
150.37595	0.8
151.03847	1.0
162.05437	7.4
169.04935	10.7
175.03906	1.8
176.88184	0.7
177.05417	14.5
178.05707	1.1
187.06029	1.3
201.05344	1.0
207.06496	1.3
207.91273	0.9
211.05943	0.9
229.06969	7.4
235.07507	0.9
237.09108	0.9
245.04446	0.9
259.09644	3.7
263.06870	1.2
274.67508	0.9
289.09091	3.2
323.09109	7.4
340.09503	3.9
341.09698	1.3
421.10968	1.8
440.96820	0.8
449.12054	1.7
494.72610	0.8
555.14655	1.3
627.75995	1.1
771.76868	0.9
823.88715	0.8
859.35284	1.0
860.35297	1.3
905.10211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21270	0.2
69.03351	1.0
70.06500	0.4
71.04920	2.0
72.08048	0.9
81.03333	31.4
82.03695	0.3
83.01250	0.2
85.02819	5.4
89.03807	0.2
91.05396	0.4
92.07922	0.2
97.02817	12.9
98.54058	0.2
99.04382	6.7
103.03875	0.2
109.02824	100.0
110.03148	1.3
110.07200	0.2
114.37126	0.2
115.03914	0.2
117.03294	1.2
119.04916	0.3
127.03870	50.6
128.04195	0.4
131.04924	0.3
137.05962	0.4
139.03877	3.4
145.02811	3.3
145.04926	0.8
146.06023	1.9
147.04411	0.4
149.05995	0.3
150.48381	0.2
151.03865	0.4
152.09641	0.2
161.05922	0.7
162.05447	1.3
162.06689	0.3
169.04924	9.5
175.03868	0.7
176.04645	0.2
177.05414	3.3
178.05812	0.3
181.17546	0.2
187.05954	0.9
189.05490	0.4
191.06963	0.4
201.05347	0.3
207.06406	0.3
211.05853	0.6
212.68651	0.2
217.04910	1.1
220.05191	0.3
229.04991	0.6
229.07010	7.7
235.07602	1.7
237.09167	0.4
238.03535	0.2
238.16875	0.2
245.04416	0.4
247.07678	0.3
250.06279	0.2
259.09671	1.8
263.06973	2.2
264.07571	0.3
265.04938	0.4
265.08542	1.0
279.06314	0.4
280.07251	0.4
289.09100	3.2
291.06317	0.7
293.04272	0.2
295.09616	0.3
297.07480	0.3
297.11118	0.6
306.05142	0.3
308.06744	0.3
322.08127	0.4
323.05585	0.4
323.09076	5.7
324.09329	0.2
340.09296	3.9
341.09979	0.4
343.08115	0.3
349.07010	2.3
350.07227	0.4
421.11069	1.6
431.11441	0.2
449.12216	1.8
467.13245	0.2
521.03052	0.2
555.14386	1.0
573.16473	0.2
701.30713	0.4
702.31268	0.8
748.33008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03355	1.6
71.04899	1.3
72.08056	0.6
72.42474	0.6
81.03339	27.9
85.02824	7.3
85.49881	0.5
88.90968	0.5
89.03824	1.0
91.05409	0.9
96.72736	0.6
97.02819	11.9
99.04374	5.8
102.41321	0.7
103.05396	0.8
109.02830	100.0
110.03157	2.7
117.03362	3.0
119.04903	2.8
124.03930	1.0
127.03876	54.2
128.04211	0.7
130.06517	0.9
132.04448	0.9
134.05994	1.5
137.06013	0.7
139.03873	3.8
139.23755	0.7
142.33229	0.6
144.04453	0.7
145.02806	8.7
145.05019	0.8
146.05989	57.4
147.04387	2.7
147.06337	11.9
149.05989	1.2
151.03877	0.8
156.71329	0.7
162.05464	39.1
163.05814	4.9
169.04938	12.9
174.05469	8.3
175.03842	1.1
175.05908	0.9
177.05426	8.4
178.05748	1.0
181.04976	0.8
190.04921	6.5
192.06529	5.1
193.06929	0.8
207.06497	3.2
208.05943	4.6
220.05025	0.8
229.07018	7.3
235.07513	1.4
237.02727	0.7
245.04433	0.8
263.06976	3.1
280.07257	1.1
289.09076	3.0
297.10889	0.8
300.08484	1.3
316.08206	1.2
318.09677	3.7
323.09082	8.9
334.09219	0.8
336.10867	2.8
340.09302	7.2
352.10336	0.8
409.71390	0.7
431.11407	0.9
449.12289	3.3
543.16040	2.9
544.16315	1.5
555.14441	0.9
672.59668	0.7
733.98688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02282	0.5
68.69754	0.1
69.33839	0.1
70.06507	2.0
72.08064	4.5
77.03819	0.1
78.04632	0.3
79.05405	0.2
81.47682	0.1
89.03828	7.6
89.10704	0.5
91.05399	3.7
93.06969	0.8
95.04887	0.8
98.05971	1.5
99.09157	0.6
102.67307	0.1
103.05380	1.5
105.03331	1.0
106.04122	0.2
107.04928	0.2
109.02818	0.9
110.07175	0.1
115.08645	0.9
117.03320	28.5
118.03695	0.7
119.04884	5.7
121.06462	1.5
122.03590	0.5
124.03862	0.2
124.05184	0.1
127.03840	0.2
131.04900	0.2
133.02808	32.3
134.03650	1.6
135.04384	3.8
136.05168	0.2
136.52277	0.2
137.05943	7.4
138.06305	0.2
145.02814	86.8
146.03125	2.3
146.05989	1.2
147.04385	4.6
147.06227	0.1
148.92369	0.1
149.05945	17.0
150.06747	3.3
151.03935	0.2
157.03908	0.7
158.05890	0.2
159.04382	0.2
161.05952	2.1
162.03082	0.7
162.05408	1.1
163.03818	1.2
163.05890	0.2
165.05446	3.2
173.05887	0.3
174.10100	0.1
175.02327	0.3
175.03862	9.4
176.04303	0.1
177.05424	100.0
177.76009	0.1
178.05789	2.9
186.03015	0.2
186.05460	1.4
187.03862	3.7
191.03287	0.2
192.06505	0.7
201.05440	3.2
205.06410	1.7
207.06329	0.3
218.11742	0.2
219.08011	0.2
221.05920	0.3
222.06622	0.6
233.05954	3.2
234.06491	0.3
235.07486	0.9
237.09044	0.6
246.11160	0.8
247.07483	0.3
247.11934	0.2
247.14313	0.6
248.04634	0.3
248.12758	2.4
249.05373	1.5
250.06122	0.8
251.06851	0.5
257.29581	0.2
261.05316	1.6
262.06204	0.2
263.06973	1.7
263.13831	0.9
264.07706	0.8
264.14404	0.2
265.04984	0.3
265.08524	1.5
265.15372	2.9
275.07092	0.6
276.04034	0.2
277.04926	1.0
278.05600	0.2
279.06424	0.2
280.07367	0.2
288.06390	0.2
291.06451	2.6
291.13318	4.7
292.07147	1.2
293.04568	0.5
293.07928	1.7
295.06256	0.3
295.09442	2.1
307.06143	0.2
307.09503	0.5
308.06705	4.7
309.07047	0.3
319.05798	0.3
321.03714	0.6
323.09103	3.3
325.10617	10.4
326.10965	0.5
335.74161	0.2
336.06171	4.2
351.08524	10.6
352.08887	0.3
395.19553	0.2
396.17932	0.9
411.18988	0.3
413.20599	8.5
414.20978	0.5
422.15903	2.1
439.18533	9.5
440.18579	1.0
441.14413	0.2
441.20041	2.8
465.16156	0.3
510.25397	0.6
527.28845	1.0
553.26538	0.2
589.25287	20.6
590.25629	2.1
615.23138	2.7
685.31610	0.2
686.29712	0.3
703.33167	17.9
704.33490	2.0
721.33405	0.8
879.37866	4.4
880.37933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03861	0.5
67.05433	47.9
68.05777	0.3
69.03353	0.4
69.06992	25.7
70.07287	0.4
71.04914	1.0
71.08553	1.1
75.04377	0.3
79.05417	13.7
81.06980	50.7
82.07304	0.4
83.04907	1.6
83.08543	11.8
85.06457	1.3
85.10085	0.3
91.05415	8.4
93.06979	14.6
95.04900	1.6
95.08540	41.1
97.06457	3.5
97.10112	6.2
98.14480	0.2
99.08008	1.1
105.06983	6.2
107.08544	7.7
109.06469	0.6
109.10114	16.3
111.08035	1.3
111.11694	1.6
112.99971	98.5
119.08540	4.8
121.10101	5.9
123.07982	1.3
123.11671	5.0
125.09638	0.4
131.01036	1.5
131.08556	0.5
133.10124	6.1
135.11644	3.3
137.09578	0.5
137.13231	2.6
139.11140	0.5
141.99081	0.3
147.11710	3.3
149.13194	1.6
151.14781	1.2
153.12709	0.5
161.13211	2.7
163.14783	1.5
165.16457	0.3
169.02586	56.4
171.62083	0.3
175.14784	1.9
177.16406	0.5
187.03613	3.9
189.16388	0.5
205.94960	0.3
244.78674	0.3
245.22546	3.3
263.15112	0.3
263.23639	7.7
337.27319	100.0
338.27634	5.6
416.54602	0.3
431.25381	1.8
446.94812	0.3
453.88986	0.3
774.70911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03868	1.0
67.05428	43.3
68.05740	0.4
69.03342	0.3
69.06988	24.9
69.38607	0.2
71.04893	1.3
71.08527	1.1
72.28063	0.2
77.14084	0.2
79.04958	0.5
79.05406	11.2
81.06973	44.4
82.07277	0.5
83.04900	1.4
83.08536	11.9
85.06438	0.5
91.05404	7.5
93.06966	11.9
95.04873	1.5
95.08530	34.1
96.08899	0.3
97.06469	2.2
97.10098	5.7
99.08018	0.5
105.06963	5.7
107.08540	6.6
109.10101	11.8
111.08006	1.3
111.11681	0.6
112.99963	47.0
113.09613	0.4
119.08543	5.3
121.10092	4.8
123.08016	0.4
123.11648	4.5
125.09567	0.5
131.01042	0.3
133.10086	4.9
135.11696	2.2
137.09521	0.6
137.13229	1.7
147.11667	2.4
149.13231	2.0
151.14740	0.4
151.45393	0.3
161.13228	1.8
162.19897	0.3
163.14796	1.2
165.16327	0.3
169.02563	17.4
169.32796	0.3
175.14824	1.3
187.03638	1.5
189.16429	0.4
205.61147	0.3
245.22586	1.6
263.23563	3.0
286.68732	0.3
337.27295	100.0
338.27640	7.7
433.90530	0.4
440.94217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.545
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	8.8
69.06990	3.1
71.04893	1.0
71.08544	9.4
73.95201	0.4
76.01738	0.6
76.02141	10.5
76.61563	0.5
79.05402	4.7
79.81963	0.4
81.03337	15.4
81.06970	7.3
83.04899	1.7
84.04428	4.0
85.03937	0.8
85.06469	3.7
86.05753	0.4
86.98985	0.7
91.05405	5.4
92.10284	0.6
93.06960	5.0
95.04898	15.2
95.08540	6.6
97.06460	0.4
99.08041	5.8
103.89637	0.5
105.06979	2.8
107.04868	0.8
107.08522	2.1
109.06481	2.1
109.10075	3.5
113.05954	0.5
116.01633	3.4
117.06960	1.8
119.08539	3.4
121.10094	0.9
123.08030	1.0
130.04979	2.7
131.08536	2.0
133.10071	2.8
135.08015	0.5
135.11652	0.7
137.09581	1.9
139.11105	1.0
141.09064	2.7
142.03200	1.0
143.08578	0.6
143.09822	0.4
144.01157	2.0
145.10085	1.0
149.09671	0.9
149.13240	0.5
151.11156	100.0
152.11479	2.3
159.11667	2.8
159.54808	0.5
161.09601	2.7
162.02179	5.0
163.11168	0.7
165.12726	2.6
170.02698	0.6
172.64049	0.4
173.13249	0.6
177.03242	1.9
177.12692	7.7
178.75491	0.4
179.04794	5.5
179.10699	0.7
191.14278	1.9
233.05869	2.1
247.20386	0.8
257.19009	2.0
275.19946	4.0
293.21051	71.8
294.21414	2.8
308.09042	14.2
346.50659	0.4
590.22101	0.4
617.61926	0.5
671.95251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.215
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72867	0.5
66.47652	0.5
67.49139	0.5
70.06530	0.8
77.82654	0.5
98.64008	0.6
109.69819	0.6
115.78294	0.6
117.97139	0.6
170.42699	0.7
191.11349	0.6
237.76624	0.7
318.81662	0.7
332.13818	0.7
388.51883	0.6
395.85858	0.6
595.29645	0.7
729.38184	0.8
901.21387	100.0
902.21289	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	901.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06506	5.7
70.91776	1.4
91.05441	2.0
115.95950	1.4
137.05931	1.6
145.02773	2.0
147.04370	1.7
162.05617	1.5
172.84015	1.4
177.05458	1.7
241.42769	1.5
241.45461	1.3
319.73819	1.5
348.43134	1.5
393.93652	1.7
527.07532	1.6
887.12244	1.6
901.21368	100.0
902.21906	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	901.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06534	0.4
74.97715	0.4
77.08575	0.3
82.41779	0.3
86.09662	0.3
91.05428	0.6
121.55671	0.3
137.06889	0.5
145.02887	1.6
146.06035	1.4
162.05537	1.6
177.05455	2.1
199.03775	0.7
208.78807	0.3
287.13791	1.6
408.89584	0.4
537.70514	0.4
543.88483	0.3
595.20758	2.5
596.21222	0.5
609.21674	1.2
611.23529	5.2
612.24146	0.6
637.21466	3.7
832.70337	0.4
901.36163	100.0
902.36572	19.5
902.54633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06513	0.3
72.08088	0.2
82.30135	0.1
86.09663	0.1
101.54990	0.1
106.02657	0.6
109.02846	0.1
117.03355	0.3
120.04203	0.2
121.56084	0.1
127.61957	0.2
129.49814	0.1
134.05759	0.2
137.06865	1.1
145.02853	1.5
146.03151	0.2
146.06058	0.8
162.05537	0.7
163.08440	0.2
170.17989	0.1
177.05466	1.4
178.05832	0.3
184.01482	0.2
197.02153	0.6
199.03625	3.1
207.06606	0.2
228.06425	0.7
242.07823	1.5
243.08705	0.6
256.09320	1.0
257.10312	0.5
285.12210	0.2
287.13602	1.6
297.12247	0.2
313.11847	0.7
315.13177	0.2
331.05667	3.6
339.13156	0.2
345.07330	2.6
345.86621	0.1
376.11670	0.3
419.15695	1.7
433.17035	1.0
445.72858	0.1
461.17026	0.2
473.16891	0.7
487.18265	5.1
488.18640	0.3
499.14789	0.2
512.18005	0.9
513.16315	0.2
544.20599	0.2
558.22363	0.3
565.19379	0.3
567.21039	0.2
577.19366	1.6
579.20856	0.2
581.19489	0.6
591.21326	0.3
593.18964	0.8
594.20160	0.2
595.20435	8.7
596.20721	0.8
597.22113	0.2
607.20117	0.2
609.21857	2.9
610.23077	0.3
621.18384	0.3
631.90637	0.2
637.21655	0.9
680.25513	0.2
709.28534	0.7
725.31854	0.2
735.27582	0.2
745.28497	0.7
763.29901	1.1
777.30676	0.3
842.33295	0.2
843.32037	0.6
857.33875	0.2
867.32336	1.0
871.31549	0.2
883.35938	0.2
885.32745	1.5
886.33490	0.7
901.36108	100.0
902.36438	15.1
902.54755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79079	0.2
67.05425	4.8
69.00601	0.2
69.06986	5.6
71.08545	20.3
79.05415	0.5
81.06513	0.3
81.06977	8.9
83.04882	0.3
83.08539	6.1
85.06461	0.5
85.10105	11.5
88.90005	0.2
89.05930	2.0
92.10995	0.5
93.06957	0.3
95.08530	14.6
97.06512	0.3
97.10097	3.5
99.08082	0.2
103.07523	1.5
107.08527	0.4
109.10104	5.0
111.11681	0.6
112.99950	0.4
113.13242	0.3
121.10143	0.3
123.11685	2.2
124.01512	0.8
137.13248	1.0
151.14842	0.3
157.06047	0.2
173.15350	0.2
239.23610	1.8
257.24670	3.4
275.25735	0.3
282.27869	4.5
313.27313	100.0
314.27628	4.1
436.27921	0.6
454.29034	4.0
456.14401	0.3
898.15295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.6787
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05405	1.1
69.06971	1.3
69.10168	0.2
69.38220	0.1
70.06510	2.3
81.06960	1.1
82.06495	5.3
83.04894	3.1
83.08537	19.9
84.08061	2.0
84.08855	0.3
85.06446	1.3
91.05398	0.3
94.06489	0.4
95.04885	0.3
96.08041	0.3
97.06438	0.4
98.09615	3.2
100.07546	10.2
100.11185	100.0
101.11523	1.9
110.05991	4.6
111.04388	14.1
112.07551	3.8
112.11173	0.5
117.13851	1.4
124.07481	0.3
124.58691	0.2
126.09108	4.0
127.08604	2.7
128.07037	12.5
129.05455	1.2
136.11189	0.3
139.08629	5.8
140.07034	5.1
142.08603	0.2
147.11665	1.1
149.13223	0.2
155.71095	0.2
162.05499	0.8
164.14311	1.3
166.15828	1.5
168.13808	1.1
174.12729	0.4
175.11064	0.3
182.15367	50.6
183.15714	1.6
192.13751	2.5
193.12157	0.2
209.14929	0.6
209.16455	36.4
210.14857	59.2
211.15170	2.7
226.19099	8.9
227.17493	4.3
227.19490	0.3
228.15891	5.7
245.18695	0.7
292.23483	0.3
308.23291	0.2
308.26837	1.1
309.25290	3.3
326.27960	7.2
326.31592	0.3
327.28357	0.3
335.24521	1.7
336.22733	6.8
336.42969	0.2
337.20877	2.0
343.30542	4.2
355.22705	0.3
355.26862	0.2
417.32440	0.3
435.33304	3.2
436.31738	1.2
452.35754	2.9
453.34229	3.6
471.35449	0.3
534.43597	0.5
552.44629	2.4
553.45416	0.2
562.39740	0.4
569.47626	1.0
678.52313	0.3
679.51483	0.3
778.61597	0.3
887.66809	5.8
888.66937	0.8
905.67755	86.1
906.68060	12.2
906.86115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5818
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92421	0.6
67.05437	0.6
71.07294	6.9
71.08542	1.4
74.97787	0.6
86.09629	54.4
95.08527	1.1
98.98378	2.5
104.10683	90.1
124.99966	31.3
184.07310	100.0
207.20863	0.6
247.16850	0.6
313.27213	3.4
429.16162	0.7
478.33121	6.2
496.33923	63.9
497.34515	2.1
784.84204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03358	0.7
70.06503	0.4
72.08051	0.1
73.02821	0.1
81.02907	0.1
81.03336	2.2
84.08047	0.1
85.02818	0.5
89.03794	0.1
91.05424	0.2
92.04918	0.1
93.95673	0.1
97.02805	1.1
99.04396	0.2
107.04881	0.1
109.02064	0.2
109.02831	5.2
110.07079	0.1
111.04345	0.1
114.51201	0.1
116.04935	0.9
117.03268	0.3
119.04889	0.2
124.03912	0.1
127.03879	2.1
134.05983	2.7
144.04411	1.6
145.02847	0.6
145.04956	0.2
146.05972	1.3
147.04396	0.5
148.03889	1.0
151.03896	1.1
161.04674	0.2
162.05473	100.0
163.05814	1.8
174.05496	0.4
175.03848	0.3
177.05472	0.8
181.04895	0.1
186.05463	0.1
188.03404	0.1
190.04953	11.1
196.07510	0.1
204.06506	0.8
205.08705	0.1
207.06491	0.5
208.06023	7.3
209.06332	0.1
217.04889	0.1
224.07082	0.3
234.07613	0.2
238.60455	0.1
242.08218	0.1
250.07094	0.2
252.06549	0.3
262.07043	0.8
270.07516	1.8
275.27972	0.1
280.08099	0.5
282.02933	0.1
298.07065	0.7
313.67883	0.1
316.08096	3.4
321.13681	0.1
334.05185	0.2
334.09137	4.5
346.51605	0.1
352.10242	3.8
354.37027	0.1
424.09949	0.2
442.11035	0.3
460.12067	0.1
513.14508	0.1
541.14685	0.2
559.15466	2.0
631.15167	0.2
649.15881	0.1
667.17285	0.5
703.18561	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	911.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03335	1.2
81.03329	5.2
83.08581	0.3
85.02823	1.1
91.05413	0.3
92.10601	1.9
97.02810	1.7
99.04415	0.4
100.11185	0.5
109.02827	8.3
116.04917	0.4
119.04898	1.0
124.03917	0.4
127.03871	4.5
132.04398	0.6
134.05962	1.9
144.04395	1.1
145.02808	0.5
146.05984	42.7
147.04388	0.6
147.06345	0.3
162.05463	100.0
163.05807	3.1
174.05446	5.8
175.03889	0.5
177.05455	1.3
186.05524	0.4
190.04947	12.5
192.06485	2.9
204.06531	0.5
207.06470	1.0
208.05997	5.1
242.08057	0.3
252.06406	0.5
254.08015	0.5
262.07083	0.5
270.07587	1.7
270.94327	0.3
277.03790	0.3
282.02631	0.3
298.06961	0.4
300.08627	2.3
316.08133	5.3
318.09610	1.6
334.09198	3.0
336.10699	1.6
352.10098	3.9
386.31363	0.3
424.10535	0.3
442.11349	0.4
463.30576	0.4
464.83002	0.4
472.31458	1.6
472.81848	0.3
543.15900	1.0
559.15625	0.5
633.15338	0.3
652.81500	0.3
667.17310	0.5
910.67694	0.6
911.67999	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03369	1.6
70.06503	2.3
74.57118	0.5
81.03340	4.1
85.02827	2.3
91.05407	1.1
97.02812	3.0
99.04384	0.7
101.07072	0.4
107.04905	0.5
108.32953	0.4
109.02830	8.4
113.46407	0.5
116.04875	0.7
117.03340	0.6
119.04891	2.0
124.03940	0.8
127.03896	3.8
128.04912	0.9
132.04442	0.9
134.05971	2.3
140.44373	0.4
144.04442	1.0
145.02829	1.0
145.04968	0.5
145.93379	0.6
146.05992	67.3
147.04376	2.8
147.06346	2.7
153.42805	0.5
162.05472	100.0
163.05780	1.9
174.05498	7.5
175.03882	3.9
177.05431	2.3
190.04967	11.7
192.06541	5.1
207.06512	5.1
208.06010	7.8
246.07510	0.5
270.07565	0.9
276.88794	0.6
282.02829	1.1
300.08594	0.8
316.08093	3.1
318.09714	1.9
334.09250	4.5
336.10849	1.1
352.10236	4.8
413.88330	0.5
543.16180	1.7
559.15637	4.2
651.17889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03870	0.8
67.02828	0.1
67.05429	28.8
68.05772	0.2
69.06989	18.1
70.07324	0.2
71.04922	0.9
71.08546	0.8
77.15195	0.1
79.05406	8.6
81.06975	31.2
82.07325	0.2
83.04895	1.2
83.08539	9.4
85.06479	1.0
91.05409	4.8
93.06973	8.8
95.04902	0.7
95.08534	23.7
96.08859	0.3
97.06462	2.3
97.10102	4.6
97.26902	0.1
98.05993	0.2
98.98386	0.8
99.08047	0.8
105.06969	3.8
107.08535	4.6
107.49609	0.1
109.06522	0.4
109.10107	10.1
111.08027	1.2
111.11666	1.0
119.08533	3.6
121.10105	4.0
123.08015	0.3
123.11655	3.8
124.01573	0.7
125.09581	0.8
133.10095	3.8
134.43736	0.2
135.11664	2.3
135.90402	0.2
137.09596	0.6
137.13228	1.7
137.47235	0.1
139.11142	0.2
147.11678	2.0
149.13206	1.2
151.11226	0.3
151.14844	0.6
153.12735	0.2
161.13222	1.8
163.14760	1.3
164.13321	0.2
165.12723	0.2
167.14278	0.2
173.02298	0.2
175.14731	1.0
179.14346	0.2
189.16307	0.3
198.05247	0.4
213.65196	0.1
215.31212	0.2
216.06297	0.5
245.22665	0.6
263.23590	1.6
306.27881	2.9
337.27304	100.0
338.27615	5.4
389.48715	0.2
444.69730	0.2
460.28134	1.0
478.29178	5.7
479.29239	0.3
554.33966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32775	0.2
65.03853	0.5
66.32816	0.2
67.05431	29.3
68.05753	0.2
69.06991	17.8
71.04896	0.3
71.08553	1.6
79.05409	7.8
81.03348	0.5
81.06978	32.8
83.04900	1.0
83.08542	9.8
85.06474	1.0
91.05407	5.5
93.06976	9.8
95.04898	1.4
95.08536	25.0
96.08879	0.3
96.36024	0.2
97.06458	1.5
97.10097	5.3
99.08035	0.9
105.06980	4.3
107.08535	5.7
109.06471	0.4
109.09404	0.5
109.10115	11.0
111.08029	0.6
111.11643	0.9
112.99969	32.3
113.09565	0.3
119.08537	3.7
121.10097	4.2
123.08037	0.4
123.11672	4.3
125.09641	0.3
131.00993	0.4
131.08534	0.4
133.10100	4.6
135.11656	1.9
137.13226	1.1
139.11171	0.2
147.11670	2.9
149.13255	1.7
151.11169	4.1
151.14754	0.4
161.13220	1.4
163.14754	1.1
165.16422	0.3
169.02583	15.2
175.14809	0.5
177.12761	0.2
177.16313	0.3
187.03702	2.1
189.16313	0.3
238.91133	0.3
239.56255	0.2
245.22621	1.5
263.23599	4.1
293.21060	3.0
325.27414	2.4
337.27316	100.0
338.27618	5.4
394.11426	0.3
425.30786	0.3
431.25452	1.9
449.26553	0.5
490.06165	0.3
595.72815	0.3
660.87195	0.2
685.77203	0.2
699.48138	0.2
801.65118	0.2
941.93750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03863	0.4
67.05430	21.1
68.05753	0.3
69.06988	13.0
71.04894	0.4
71.08529	0.9
79.05406	6.0
81.06976	24.1
83.04891	0.5
83.08537	6.3
85.06451	0.5
91.05408	4.3
93.06973	6.8
95.04854	0.3
95.08531	17.5
97.06457	1.4
97.10105	3.4
99.07992	0.5
105.06971	3.2
107.08537	3.2
109.06445	0.2
109.10108	6.4
111.08030	0.4
111.11670	0.4
114.37501	0.3
119.08542	2.5
121.10081	2.3
121.10791	0.2
123.11671	2.6
129.82555	0.3
131.93265	0.2
133.10100	2.5
134.98154	43.0
135.11650	1.4
137.13237	0.9
147.11691	1.8
149.13217	0.8
151.11089	0.4
151.66025	0.3
152.99214	1.0
153.12724	0.2
161.13263	1.2
163.14778	0.5
175.14781	0.4
176.00803	0.3
177.16364	0.3
189.00102	0.9
209.01823	1.6
227.01500	0.4
250.95685	0.8
263.23785	0.5
264.97168	2.6
268.96664	0.9
282.98227	5.1
312.17447	0.3
313.27420	0.4
320.99976	1.2
334.85526	0.2
337.27316	14.6
338.27695	0.4
359.25439	4.1
377.26691	0.3
471.24738	100.0
472.25076	4.6
528.40442	0.2
565.21198	0.4
583.22736	0.5
621.24451	0.5
694.24463	0.2
697.15570	0.2
887.45288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03861	0.5
65.13919	0.3
65.83137	0.3
69.03331	1.8
70.06504	0.8
70.96751	0.4
75.75735	0.3
78.89113	0.3
81.03333	5.8
81.93344	0.4
84.08083	0.5
85.02816	1.9
88.59129	0.3
89.03922	0.3
91.04831	0.7
91.05402	20.5
92.64346	0.3
95.04922	0.4
97.02818	0.8
98.52460	0.4
99.04349	0.5
103.05411	0.5
106.02873	0.6
109.02814	3.7
111.04346	0.4
117.03285	0.7
119.04893	41.8
120.05270	0.6
127.03870	0.7
129.03305	0.4
131.04887	0.5
132.02008	1.3
133.02835	0.5
139.03842	0.4
145.02812	3.7
146.05991	5.5
147.04385	41.3
148.04767	0.8
149.02306	0.7
150.05525	0.5
153.84444	0.3
157.03960	3.4
162.05457	11.4
163.03883	0.4
163.05760	0.5
164.04649	0.7
175.03868	62.8
176.04266	1.3
177.05446	3.7
179.07031	3.1
181.04887	0.4
192.04175	1.4
207.06493	100.0
208.06828	3.0
225.07504	0.6
261.07581	0.7
281.81866	0.4
282.02713	0.4
351.10699	4.4
353.26697	0.3
356.61566	0.3
369.11755	8.1
825.97821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03873	0.4
67.05427	31.0
69.06989	16.4
70.06497	0.5
71.04892	0.6
71.30317	0.4
79.05019	0.5
79.05411	8.2
81.06975	34.2
83.04874	0.7
83.08538	7.8
85.06445	0.6
88.38931	0.4
91.05405	6.2
93.06976	12.4
95.04897	0.6
95.08530	25.8
96.08858	0.6
97.06441	2.3
97.10105	3.7
98.05977	2.0
98.98396	9.5
99.08027	0.4
105.06966	3.8
107.08541	6.4
107.89690	0.4
109.10105	9.7
111.08017	0.5
112.99952	0.4
119.08543	3.8
121.10110	5.0
123.07990	0.5
123.11656	3.7
124.01562	2.8
125.09611	0.7
127.11181	0.3
133.10085	3.0
135.11644	2.1
137.09587	0.6
137.13245	1.9
139.11128	0.4
142.02594	0.7
147.11658	2.7
149.13228	2.0
151.14836	0.5
153.12799	0.4
155.00980	4.7
161.13213	2.0
163.14806	1.4
173.02034	1.9
175.14810	0.9
177.16371	0.6
189.99200	0.4
194.23076	0.4
198.05208	1.5
216.06274	3.3
245.22583	1.9
263.23660	4.7
306.27859	14.1
307.28171	0.8
319.26199	0.7
337.27289	100.0
338.27740	4.5
417.23801	4.1
460.28140	34.0
461.28348	1.8
478.29184	54.0
479.29807	3.1
479.81573	0.4
515.39899	0.4
515.97174	0.5
532.80402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05119	2.1
67.05432	30.3
69.06989	19.8
69.91346	1.6
70.06492	2.1
71.44125	1.6
76.42684	1.4
76.56605	1.9
79.05406	8.2
81.06967	28.9
83.08533	8.8
86.09615	7.4
91.05398	4.3
93.06963	7.9
95.08533	21.3
97.10093	3.5
98.98388	1.8
99.40458	1.6
104.10609	2.0
105.06987	3.0
107.08508	2.4
109.10101	7.4
119.08540	3.1
121.10136	3.1
123.11682	2.3
124.88424	1.6
127.93426	1.9
133.10114	2.9
135.11673	3.0
135.74577	1.6
139.31302	1.5
139.92879	1.6
147.11682	1.9
172.79356	1.8
184.07330	7.4
337.27313	100.0
338.27637	3.6
478.29108	3.9
484.43457	2.0
632.82806	2.0
674.40118	2.4
792.58704	2.4
794.82104	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	927.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	0.4
70.06507	1.3
72.08044	0.2
79.16527	0.2
81.03336	2.3
85.02830	0.7
86.09624	0.3
92.10276	0.3
97.02814	1.2
106.02863	0.3
109.02828	4.9
110.71983	0.2
116.04907	1.0
117.03334	0.2
119.04903	0.4
124.03896	0.9
127.03865	1.9
134.05978	2.1
144.04419	1.1
145.02815	0.2
146.05963	3.1
147.04375	0.7
148.03906	1.0
151.03836	0.3
151.13461	0.2
161.04610	0.2
162.05464	100.0
163.05789	2.9
174.05469	0.8
175.03830	0.4
177.05437	0.8
186.05557	0.2
190.04953	12.1
191.05348	0.6
204.06491	0.8
207.06448	0.4
208.06000	6.3
237.85486	0.2
251.44637	0.2
262.06989	0.7
270.07520	1.8
280.08234	0.3
282.02756	0.4
298.06961	0.7
300.08624	0.2
316.08084	4.3
317.08450	0.3
334.09091	4.9
352.10156	3.5
442.11157	0.4
494.45718	0.2
559.15588	2.7
649.15961	0.3
667.17365	0.8
703.20056	0.4
823.18805	0.2
956.88141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.6586
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51183	0.2
71.10400	0.2
71.95168	1.4
72.95966	0.3
74.97515	0.9
76.55973	0.2
84.95952	0.4
86.09617	0.3
92.63966	0.2
92.98575	0.9
97.96728	0.2
104.10746	0.3
110.97521	0.4
115.97781	0.5
116.98583	0.3
123.01176	0.3
128.98552	2.5
133.98810	0.9
134.99567	0.4
141.02240	0.4
145.29567	0.2
146.99637	6.0
150.57373	0.2
152.00012	0.2
155.03766	1.1
159.03294	0.3
161.01192	1.1
161.04788	0.4
165.00682	2.6
169.05344	0.4
171.03271	0.4
175.02719	0.4
179.02238	1.0
184.07300	0.3
189.04329	1.3
193.03833	0.2
197.08516	0.3
201.04309	0.3
203.05846	1.4
205.07440	0.3
208.06140	0.4
209.06854	0.2
217.07529	0.3
223.08386	0.4
229.07413	0.3
235.06273	0.2
237.10063	0.9
243.08797	0.3
247.10017	0.2
249.07883	0.4
263.09399	1.6
277.11066	2.3
278.11911	0.4
281.10391	0.4
291.12683	0.4
292.13263	0.5
295.12076	1.0
296.12857	0.4
310.14532	0.2
315.16531	0.5
317.17746	23.5
318.18195	1.1
333.17307	3.2
335.18863	100.0
336.19150	5.5
349.20496	0.3
351.18399	0.3
353.19907	36.2
354.20325	1.9
358.20468	5.9
371.21094	0.4
376.21527	1.9
433.80911	0.3
518.32129	0.3
518.65564	0.2
595.40234	25.8
596.40509	2.4
613.41339	6.4
614.42053	0.5
631.42371	2.7
632.42670	0.3
859.00134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.6593
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06009	0.5
71.95179	2.9
72.05078	0.6
74.97522	1.2
92.98516	0.5
107.84624	0.6
116.98552	1.0
128.98579	1.2
134.99654	0.8
137.02875	0.7
146.99680	5.2
155.03740	1.0
161.01173	1.3
162.33444	0.6
165.00690	1.5
171.03293	0.8
173.04817	2.3
175.02737	0.6
185.04811	2.8
187.02734	0.9
187.06387	0.9
189.04298	2.7
195.06865	0.7
199.02698	1.4
199.06416	0.8
201.07973	1.0
203.05838	5.5
205.07396	0.9
211.06305	1.0
213.04431	0.6
213.07945	16.0
215.09525	0.9
216.06726	0.8
217.03859	2.3
217.07436	4.8
217.10983	0.8
219.09085	0.8
221.06973	0.9
229.07416	8.1
231.05469	1.0
231.08986	36.9
233.10451	0.8
234.58711	0.6
236.09459	1.2
241.07425	4.1
243.09019	2.4
245.10393	0.8
247.08464	9.7
249.09918	0.8
254.10519	2.8
255.08978	0.9
259.08423	3.9
261.10010	3.3
273.10147	0.6
305.17807	1.2
309.17365	0.6
317.17725	5.5
323.18701	4.3
335.18848	55.0
336.19180	3.7
353.19916	100.0
354.20270	6.4
371.20950	10.5
376.21576	8.6
428.91614	0.6
476.22049	0.6
507.30032	0.8
519.58478	0.6
631.42322	77.3
632.42822	10.3
657.24054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.6588
Annotation	Unknow
Peak:m/z	Relative Intensity
71.95176	2.8
72.95919	0.5
74.97472	1.5
79.54505	0.3
83.91472	0.3
84.04448	0.3
84.95922	0.6
92.98515	0.7
115.97735	0.4
116.98537	0.4
128.98511	1.6
133.01669	0.7
133.98734	0.6
134.99564	0.6
141.02132	0.4
146.99617	6.1
147.03271	0.4
155.03693	1.7
159.03221	1.4
161.01202	1.4
165.00641	2.0
167.02432	0.4
167.03702	0.4
169.05327	0.6
171.03195	0.7
173.04800	1.4
175.02750	0.6
179.02164	0.5
185.04790	1.7
187.02690	0.4
187.06369	0.4
189.04222	2.2
191.05885	1.7
191.24876	0.4
193.03851	0.7
195.06871	1.6
197.04732	0.6
197.08313	0.6
199.02753	2.8
199.06332	3.7
201.07947	0.8
202.05167	1.4
203.05826	5.5
203.09517	0.3
205.07365	1.6
211.06354	0.5
213.04564	0.5
213.07944	17.5
215.05861	0.8
215.09514	1.5
216.06638	1.5
217.03767	1.9
217.07446	4.9
217.11057	1.5
219.08960	0.8
221.06895	0.6
223.06366	0.4
229.07420	9.2
229.11069	0.5
231.05344	1.1
231.08995	37.3
233.10410	0.4
236.09424	0.8
241.07430	4.4
242.08037	0.6
243.09103	2.7
243.12456	0.4
245.10474	0.8
247.08482	10.6
249.10036	0.7
252.08961	0.5
254.10651	2.1
255.09053	1.5
259.08435	4.7
260.09195	0.6
261.09979	3.4
264.08749	0.5
269.10587	1.3
270.10211	0.5
273.09985	0.7
305.17636	1.6
311.18954	0.6
317.17755	6.0
323.18832	5.9
335.18848	56.3
336.19135	2.9
341.19778	0.6
353.19916	100.0
354.20230	4.7
358.20535	0.8
371.16373	0.4
371.21005	10.2
376.21478	7.9
437.87903	0.5
570.31451	0.4
631.42334	81.2
632.42670	9.9
811.87964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03844	0.2
70.06511	0.3
72.04428	0.3
72.08073	2.7
74.46932	0.2
79.05432	0.2
82.06547	0.1
84.04386	0.2
84.08071	7.2
86.09626	0.2
88.40929	0.1
89.03841	0.9
91.05408	11.6
92.08585	0.1
95.04884	0.2
98.09630	10.5
99.09174	0.2
99.09932	0.2
100.07554	8.6
107.04896	1.3
108.05678	0.3
110.09632	2.5
112.11194	10.6
113.07080	4.9
117.03327	2.6
118.04133	0.2
119.04900	30.8
120.05691	25.5
121.06040	0.3
129.13841	4.6
131.04871	0.2
133.02818	0.7
135.04384	1.9
145.02832	6.3
146.03621	6.4
146.06027	0.6
147.04401	7.6
151.03865	0.2
155.11771	25.0
156.12057	0.6
161.02284	0.8
162.05486	0.8
163.03870	2.9
167.08537	0.3
169.13319	1.2
171.04346	0.2
171.14873	1.0
172.14436	0.6
176.10748	0.2
177.05449	0.2
191.08562	0.8
194.07217	0.2
195.08037	1.3
197.06088	0.2
198.16156	0.2
200.17613	0.3
203.09425	0.2
203.11826	0.6
204.10165	4.7
209.09662	0.2
212.17569	3.2
214.19122	2.9
215.19511	0.1
218.11595	0.2
219.08037	1.8
223.07491	1.9
225.09134	0.8
229.20204	10.4
230.20465	0.2
237.09058	1.5
247.07463	2.0
251.06982	16.2
252.07401	0.9
253.08572	2.7
263.07016	0.2
265.08554	33.0
266.08957	2.1
268.09689	0.2
269.08026	2.8
270.11252	0.3
275.17511	0.9
290.08118	0.3
291.06512	0.5
292.20264	1.5
293.07947	0.3
308.12811	0.7
322.14349	4.5
323.14648	0.2
334.14166	0.2
347.13809	0.2
348.12286	1.0
348.15967	1.6
349.38754	0.2
350.13504	0.6
351.16986	0.3
365.18597	0.7
366.16879	1.1
367.16473	0.3
393.21664	0.9
419.19620	2.6
421.21100	0.3
422.20386	0.2
436.22260	0.2
438.23868	5.3
439.24011	0.6
450.23697	2.2
451.23383	0.2
464.25409	3.8
465.26166	0.5
476.25351	2.5
493.28033	100.0
494.28302	9.5
779.44989	0.2
834.48499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05433	9.9
68.86972	0.3
69.06991	20.7
71.08533	3.2
79.05418	3.9
81.06513	0.5
81.06979	13.0
83.08541	15.3
83.20602	0.3
84.08856	0.4
85.10117	0.6
87.00730	0.3
91.05404	0.7
92.10235	0.6
93.06973	7.2
95.07970	0.5
95.08537	13.8
97.06458	1.6
97.10108	8.2
98.05987	1.4
98.98399	9.5
107.08539	3.6
109.10102	5.5
111.08018	0.6
111.11650	1.9
118.96907	0.3
121.10094	6.2
123.11694	1.5
124.01546	1.5
135.11664	5.2
137.13281	0.5
138.08107	0.3
142.02626	1.2
149.13210	2.3
151.14731	0.4
155.01044	5.2
165.16342	0.4
173.02090	1.3
198.05212	1.3
216.06366	2.3
219.14360	0.3
247.24133	0.8
265.25278	2.7
308.29419	15.1
309.29721	0.6
339.28891	100.0
340.29245	6.3
419.25461	5.4
462.29752	26.2
462.35187	0.3
463.30331	2.5
480.30774	39.1
481.31085	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	932.5984
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87547	0.2
69.06982	0.5
70.06483	0.3
71.07284	3.2
71.08551	0.3
81.06966	0.4
86.09628	41.1
87.09947	0.8
93.06988	0.4
95.08543	0.3
97.10118	0.3
98.98392	2.5
104.10683	20.7
105.10996	0.3
107.24982	0.2
117.36601	0.2
121.67482	0.2
124.99964	30.5
127.33907	0.2
132.57335	0.2
137.06972	0.2
140.67662	0.2
143.01070	0.8
146.65718	0.2
183.35611	0.2
184.07307	100.0
185.07658	1.8
200.67204	0.2
217.06590	0.3
258.10825	0.3
313.27292	0.5
332.05673	0.3
339.28891	1.0
340.29428	0.3
413.89905	0.2
434.19785	0.3
446.25562	0.3
478.32828	1.5
496.33945	13.4
497.33902	1.0
504.33978	1.4
522.35486	13.2
523.36121	1.6
594.54205	0.2
843.54327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05429	5.8
69.06989	4.8
70.06504	0.2
71.04907	0.2
71.08546	16.9
73.23007	0.2
75.04387	0.8
79.05412	0.7
81.06512	0.3
81.06974	9.0
82.07305	0.2
83.08542	5.7
85.06448	0.3
85.10107	9.5
87.95435	0.2
89.05962	0.8
91.05406	0.3
91.82677	0.2
93.06985	0.8
95.08532	11.6
97.10094	2.7
98.98396	24.7
99.07978	0.2
99.11679	0.7
103.07515	0.7
109.10108	5.5
111.08008	0.2
111.11679	0.4
112.99969	5.7
113.13281	0.2
116.99438	1.3
117.09077	0.3
120.00628	0.2
121.10015	0.3
123.11647	2.4
125.13213	0.2
136.99991	0.3
137.13203	0.7
155.01016	14.0
169.02568	3.4
173.02072	3.2
177.68074	0.2
221.22589	0.2
224.65187	0.2
229.04654	0.4
239.23575	1.5
247.05803	1.0
257.24686	1.1
262.13470	0.2
290.09100	0.2
313.27310	100.0
314.27649	5.2
331.17856	0.2
337.27206	2.2
393.23941	2.5
426.52722	0.2
449.26532	13.9
450.26703	0.9
452.21402	0.2
467.27618	1.3
755.92371	0.2
845.09210	0.2
949.80396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03877	0.8
67.05076	0.9
67.05428	18.6
69.06982	9.8
70.06501	3.9
71.04935	0.5
71.08540	2.1
79.05400	5.2
81.06970	18.9
83.04881	0.5
83.08548	3.7
84.04418	2.0
85.10104	1.0
86.09633	2.7
91.05406	4.3
93.06970	5.0
95.04929	0.6
95.07961	0.9
95.08532	13.3
97.06466	0.6
97.10082	0.8
97.59694	0.5
98.98386	3.0
99.05083	0.6
102.92541	0.9
105.06971	1.1
107.08532	2.5
109.10110	4.0
111.67348	0.6
114.36758	0.5
119.08531	2.1
120.08104	0.6
121.10091	0.8
126.69720	0.5
129.03632	0.5
129.06580	0.6
133.10092	1.0
146.99629	0.6
147.11649	0.6
150.95576	7.7
154.94128	4.3
163.14757	0.5
165.00534	0.7
168.95662	4.5
172.95195	21.4
181.86076	0.6
186.96756	63.6
190.96274	15.2
195.96965	0.6
198.96603	0.5
204.97823	67.8
209.98355	4.1
210.96718	2.2
222.98875	1.1
224.98317	4.8
226.99867	2.1
227.99423	3.6
228.97794	9.8
230.99332	0.7
242.99350	13.2
245.00786	1.2
246.98909	3.0
247.99834	0.6
261.00446	1.3
266.00977	0.6
266.93402	1.2
280.94846	2.0
298.95990	2.1
313.27356	6.6
314.27695	5.8
315.27756	0.8
319.19336	16.0
319.22760	0.8
320.19852	0.7
335.18781	2.6
336.90753	0.6
336.97501	1.3
337.20441	39.2
337.27002	8.9
338.20609	2.1
355.21408	3.5
360.21927	3.2
375.22049	2.3
399.16330	0.7
413.17441	3.0
427.19019	1.0
431.18503	2.5
455.18460	3.5
469.20166	3.9
473.19708	31.5
474.19797	2.3
487.21777	100.0
488.22141	7.6
496.20865	0.7
509.52625	0.5
581.19464	2.4
599.20697	0.6
655.22803	3.1
673.23737	3.0
749.43835	2.2
885.42291	1.0
891.42615	0.6
903.44238	4.3
904.44989	0.7
917.44769	3.2
935.29791	1.1
935.47015	23.9
936.46881	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	938.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03841	1.2
69.03329	0.4
69.48753	0.2
70.06483	1.1
72.07718	0.3
72.08068	5.0
81.03360	0.6
82.43198	0.2
84.08031	0.9
85.02831	0.3
89.03816	1.3
91.05402	13.6
91.45747	0.2
92.05724	0.2
97.02800	0.3
98.09629	0.4
100.07598	0.2
109.02822	0.4
112.11199	1.5
116.82777	0.2
117.03327	4.0
119.04893	30.2
120.05174	0.5
120.05711	0.2
129.13777	0.3
135.04425	0.4
135.08081	0.2
145.02823	15.2
146.03267	0.2
146.06029	0.3
147.04385	100.0
148.04723	2.7
149.05966	1.7
151.03908	0.3
155.11757	2.2
162.05478	1.6
163.03836	0.4
176.10815	0.2
177.05424	18.9
185.18652	0.2
186.36058	0.2
203.11765	5.1
204.10170	21.5
205.10503	1.0
207.06380	0.3
218.11734	1.5
251.06903	0.2
251.88396	0.3
265.08612	0.9
266.08865	0.3
274.19135	1.5
275.17468	0.3
282.02625	0.4
292.20270	0.4
321.09940	0.4
366.15585	1.3
436.24460	1.7
437.23010	0.4
454.25461	2.1
493.28110	1.4
494.28302	1.1
495.28973	1.0
600.28949	2.0
616.38348	0.3
630.30060	0.3
762.34155	0.3
776.33813	2.4
938.38940	30.5
939.39270	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	938.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03846	1.0
69.03349	0.9
70.06491	2.5
72.07733	0.5
72.08075	10.1
78.90958	0.5
79.05386	0.5
81.03324	0.7
84.04433	0.8
84.08045	2.4
89.03827	0.9
91.05408	10.3
97.02818	2.0
109.02815	0.9
109.94286	0.5
110.07121	0.8
112.11211	0.7
116.26532	0.5
117.03328	4.8
119.04900	28.3
121.02879	0.6
124.03822	0.6
127.03873	0.6
129.13867	0.9
145.02824	17.4
146.03166	2.5
146.05994	3.9
147.04393	100.0
148.04706	5.3
149.05922	1.1
162.05490	7.3
163.05746	0.5
175.03986	0.6
177.05429	27.1
178.05777	2.4
193.80235	0.5
203.11739	4.8
204.10172	21.8
204.12006	1.2
205.10515	1.2
207.06604	0.8
218.11742	2.6
233.12665	0.6
234.11246	5.8
235.11697	0.6
274.19067	1.9
275.17453	0.8
282.02948	0.8
292.20258	1.9
305.18784	0.7
322.21188	0.8
337.61676	0.5
448.17859	0.7
468.24799	9.7
469.25305	5.1
470.25314	0.6
552.83136	0.6
600.28949	1.7
612.29352	0.8
630.30188	2.0
776.33820	2.0
938.20123	1.0
938.39026	24.8
939.38531	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	939.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05429	12.2
69.06995	14.9
78.04642	1.8
79.05399	4.0
81.06969	8.8
83.08527	9.6
85.28896	1.9
91.74340	1.5
93.06968	6.7
94.48136	1.7
95.08527	8.3
97.10089	6.8
97.44043	1.5
107.08497	2.9
109.10137	2.3
121.10075	1.9
150.95625	2.4
154.94209	3.0
168.95729	4.2
172.95204	18.4
173.07140	1.6
186.96773	73.4
190.96191	15.7
204.97836	84.6
209.98393	2.7
224.98267	7.2
226.33041	1.6
227.00119	2.2
227.99417	3.2
228.97847	11.8
235.57220	1.7
242.99518	17.7
246.98920	2.8
250.66362	1.9
261.00342	3.5
266.93436	4.2
280.67313	1.6
280.94879	3.8
298.96027	3.2
336.97595	3.9
339.22125	20.3
339.28809	13.1
341.45114	1.9
357.23053	3.3
433.20056	3.7
471.21832	2.0
475.21344	22.9
489.23413	100.0
490.23450	3.6
583.20648	2.6
601.21588	3.2
639.23395	1.9
657.24225	7.2
675.25568	2.3
753.45978	2.2
889.47699	5.1
907.46545	11.6
921.48053	10.0
939.50244	46.4
940.47974	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	941.6671
Annotation	Unknow
Peak:m/z	Relative Intensity
85.83919	1.0
100.13803	0.9
174.26994	0.8
317.20807	9.5
353.23175	4.5
611.42505	6.2
629.43628	1.7
629.91370	0.9
647.45233	5.7
896.39056	1.0
909.09814	0.9
941.66620	100.0
942.66626	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	942.5823
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	1.8
69.06990	2.5
70.06508	1.2
71.07284	6.6
77.97846	0.3
79.05401	1.3
81.06948	2.3
83.08537	1.6
86.09626	58.5
87.09974	0.3
93.06966	1.4
93.71742	0.3
95.08524	2.3
97.10105	0.4
98.98402	3.5
104.10680	91.2
105.11029	0.5
107.08529	0.4
109.10114	0.4
111.08018	0.6
121.10082	1.2
124.93735	1.7
124.99963	33.1
126.60753	0.3
135.11681	0.5
143.00986	1.1
156.96284	2.1
163.01518	0.5
181.02596	0.4
184.07303	100.0
185.07654	1.2
211.26816	0.3
212.84323	0.3
311.25833	1.4
337.27332	1.7
350.99762	0.3
389.22430	0.3
476.31287	7.1
493.22827	1.7
494.32330	64.6
495.32782	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	944.598
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27689	0.4
67.05402	0.5
67.28563	0.4
70.06496	0.7
71.07281	2.9
84.04391	0.5
86.09624	38.0
88.37778	0.4
98.98388	3.5
104.10672	2.7
113.08286	0.4
124.99957	27.0
143.00967	0.7
181.74779	0.5
184.07295	100.0
185.07693	0.8
222.62375	0.4
222.85083	0.4
284.07062	0.4
323.75143	0.5
425.20923	0.5
478.32794	1.6
496.33841	18.5
497.33990	0.8
552.04694	0.5
821.04791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05127	0.9
67.05431	14.4
67.38473	0.5
69.06995	8.3
70.06490	0.7
72.33149	0.5
79.05392	3.4
80.73582	0.5
81.06981	14.8
82.34753	0.5
83.08539	1.4
84.85461	0.6
86.07299	0.5
86.09602	0.7
89.42966	0.5
91.05402	2.8
93.06971	3.7
95.08533	12.1
97.10097	1.4
105.06949	0.9
106.26229	0.6
107.08550	2.6
109.10110	4.3
115.39494	0.6
116.42973	0.5
119.08546	2.4
120.96599	18.0
121.10138	1.5
123.11662	0.8
134.98148	2.2
143.74356	0.6
145.99782	2.6
147.11659	1.1
164.00908	0.6
174.98540	0.7
176.99210	5.4
189.00047	1.0
195.00258	15.1
213.00256	0.6
236.93906	0.7
250.95532	4.6
254.95090	1.3
263.01465	0.7
268.96680	13.0
277.41110	0.6
292.96655	0.8
293.99734	0.9
303.89456	0.6
306.98203	5.5
324.99448	1.1
337.23566	1.2
337.27319	25.5
338.27686	1.4
359.25494	3.6
361.70291	0.7
377.26633	6.0
378.26837	0.8
439.22134	23.3
440.22723	0.9
457.23196	54.7
458.23306	4.7
471.24561	5.2
478.48056	0.7
500.27405	100.0
501.27707	7.8
614.41235	0.7
841.97693	0.8
887.45770	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	949.6249
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	0.2
69.06983	0.3
70.06524	0.2
71.07293	4.8
71.08552	2.0
72.69121	0.1
81.06972	0.6
83.08539	0.6
85.10081	1.1
86.09630	50.5
87.09965	0.7
91.35815	0.2
92.10183	0.3
95.08532	1.0
98.98399	2.7
104.10683	84.6
105.11008	1.3
108.68925	0.1
109.10094	0.2
118.34682	0.1
124.99968	30.1
143.01050	0.7
163.01524	1.1
180.82594	0.1
181.02557	0.2
184.07314	100.0
185.07661	1.6
199.03568	0.2
258.11029	1.2
296.57303	0.1
313.27335	2.6
419.25571	0.9
478.32825	6.0
479.33472	0.3
496.33920	62.9
497.34229	5.2
530.08777	0.1
877.06104	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	954.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05085	3.5
67.05430	84.2
69.06991	18.4
73.02820	2.7
75.57321	2.3
77.03830	2.6
77.93483	2.2
79.05407	68.2
81.06976	100.0
83.08532	10.3
85.02829	26.4
91.03852	13.6
91.05401	47.2
92.10939	6.1
93.06972	81.9
95.04893	6.4
95.08546	72.8
97.02820	10.6
105.06969	36.2
107.08530	44.0
109.10111	28.4
109.53209	2.9
117.06949	6.1
119.08570	21.7
121.10088	22.9
123.11671	4.8
131.08516	17.0
133.10088	15.0
135.11659	18.7
145.10107	14.7
147.11684	10.7
149.13187	15.3
159.11658	4.8
161.13187	5.8
163.05893	2.6
173.13255	5.8
175.14751	2.8
187.14867	3.2
194.00050	2.6
227.96646	3.0
232.46692	3.1
259.20538	6.2
261.22253	19.8
298.76706	2.9
335.25714	79.7
337.27350	13.8
424.65298	2.8
497.31015	3.2
503.43228	3.4
595.47650	21.7
613.48175	30.9
873.38348	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	958.6135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	1.1
69.06982	2.7
71.07280	7.9
71.33481	0.6
81.06976	1.5
81.69828	0.6
83.08545	1.4
86.09628	53.4
87.09964	0.8
95.08588	0.9
98.45625	0.6
98.98392	4.0
104.10680	84.3
105.11034	0.7
109.46041	0.6
124.99964	36.3
135.59349	0.6
143.00986	0.8
184.07307	100.0
299.07291	0.7
339.28918	2.6
504.34464	6.3
504.41132	0.7
522.35455	63.4
523.35657	4.4
601.25085	0.8
811.98810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05423	0.1
69.06992	0.4
71.07294	3.2
81.06970	0.2
83.08515	0.1
86.09628	38.4
87.09467	0.1
87.09951	0.7
91.41734	0.1
93.07015	0.1
95.08530	0.3
97.10115	0.1
98.98399	3.1
104.10679	3.9
124.99966	27.9
143.01045	0.7
146.98102	0.1
184.07312	100.0
185.07645	1.5
188.56935	0.1
258.92758	0.1
339.28912	0.5
388.11847	0.1
504.34360	1.5
505.35123	0.1
522.35486	15.9
523.35785	1.2
782.72687	0.1
930.87860	0.1
969.85077	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29862	1.1
69.03371	2.1
70.06512	7.7
72.08094	2.0
73.53366	1.2
81.03334	19.0
84.08033	3.2
84.95954	17.6
85.02848	1.4
89.03844	11.2
97.02819	2.9
98.97484	13.3
102.97009	2.6
109.02835	45.0
116.98563	26.7
117.03333	26.6
127.03862	8.5
128.98550	2.8
129.10260	2.2
134.03641	2.0
134.99631	43.2
135.04402	1.6
145.02829	78.1
146.06027	3.0
146.99631	7.3
147.04376	1.6
149.01242	2.4
149.05978	12.0
153.00731	12.4
155.00098	2.0
158.99609	2.1
161.01176	2.0
162.99115	2.1
167.06976	1.4
169.04938	6.5
173.01183	11.2
175.02652	1.9
177.00703	11.3
177.05435	100.0
182.99622	3.1
189.00748	2.6
191.02255	5.3
193.01736	5.6
195.01770	5.0
201.00674	29.6
203.02220	2.9
208.00494	2.6
211.02814	3.1
213.00714	1.5
219.01726	12.8
221.01184	1.9
223.02747	1.4
225.00667	2.9
225.04225	11.2
231.01767	2.0
233.00952	2.2
235.99892	8.9
237.00694	2.0
239.02272	8.1
243.01744	12.3
243.05429	10.5
250.01503	7.3
251.02190	8.5
254.00960	17.4
257.03516	1.6
261.00421	1.6
261.02811	12.5
268.02621	2.7
269.03275	34.3
272.01929	3.0
275.02151	6.4
279.01758	6.2
283.04907	2.1
285.02802	1.9
287.04364	74.1
293.03256	21.9
294.03882	1.8
300.03131	2.6
310.05649	2.2
311.04233	6.1
315.05399	2.0
318.03885	2.1
335.04498	1.9
345.04797	2.0
347.04663	2.5
353.05365	2.7
359.04346	2.3
365.05389	5.7
366.76004	1.5
375.06595	1.6
377.05170	7.1
387.05905	18.2
395.06494	7.4
405.06799	2.3
419.06561	18.7
426.79941	1.6
427.07001	7.2
437.07443	12.1
457.83447	1.7
461.07535	7.0
469.08090	2.0
479.08514	6.1
487.08795	5.4
521.09650	2.8
541.09894	2.5
553.10065	13.5
571.10870	9.8
583.10535	6.8
595.11005	7.3
613.11810	7.5
655.13153	15.0
697.14026	1.7
896.72205	1.8
961.23297	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	968.399
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	0.8
70.06478	3.4
72.08066	6.0
77.57010	0.8
78.64745	0.9
81.03330	1.8
84.08013	1.0
85.02818	1.2
89.03851	8.1
91.05402	16.1
92.10126	0.9
97.02838	2.9
109.02839	1.4
110.07077	1.6
112.11195	1.5
117.03324	18.7
118.03712	1.0
119.04894	34.0
121.02778	1.1
124.03878	0.8
135.04378	1.7
145.02827	52.9
146.03206	1.1
146.05998	4.9
147.04393	100.0
148.04727	3.4
149.05969	6.0
155.11826	1.5
162.05481	10.9
163.03862	1.0
175.03857	6.7
177.05428	55.7
192.06506	1.0
203.11774	7.1
203.13380	0.9
204.10182	30.6
207.06509	10.3
218.11763	1.1
218.13863	0.8
234.11189	1.2
245.50821	0.8
274.19196	1.5
282.02493	0.8
292.20282	1.1
366.15182	1.1
369.10092	1.3
436.24350	3.7
454.25452	3.4
493.27634	1.6
630.30127	9.5
631.30719	1.2
806.33777	4.5
968.40228	49.8
969.40240	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	968.5977
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05426	2.1
69.06982	1.0
70.06508	0.2
71.07291	6.9
79.05364	0.7
81.06984	3.0
83.04932	0.2
83.08510	0.2
86.09628	57.6
87.09983	0.4
91.05392	0.3
92.10211	0.9
93.06973	1.0
95.08540	2.7
98.98401	4.3
104.10681	84.6
105.11044	1.2
109.10100	0.4
117.66898	0.2
124.99963	35.8
143.01012	0.5
160.08125	0.2
163.01538	1.0
184.07309	100.0
185.07599	1.6
192.96677	0.2
222.41362	0.2
258.11075	0.4
337.27310	1.1
467.97604	0.2
502.32889	5.8
503.33112	0.4
520.33899	71.2
521.34186	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	968.5981
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05423	0.5
68.25211	0.1
68.69759	0.1
69.06977	0.2
69.14513	0.1
70.06514	0.1
71.07296	2.7
71.17725	0.1
76.65427	0.1
78.77422	0.1
79.05428	0.1
81.06976	0.2
82.56041	0.1
86.09630	37.3
87.09958	0.6
98.98402	3.0
104.10671	3.0
109.10116	0.2
112.68881	0.1
116.99485	0.2
119.08465	0.1
124.99967	27.1
126.00227	0.1
143.01019	0.6
154.49879	0.1
172.92947	0.1
184.07312	100.0
185.07626	1.5
318.78607	0.1
502.32867	1.3
520.33899	15.8
521.34241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	1.8
70.06493	1.1
75.82465	0.5
78.03339	0.8
81.03332	5.4
85.02809	0.6
89.03796	0.5
91.05435	1.0
96.04408	0.6
96.82673	0.5
97.02820	2.5
99.04397	0.6
106.02869	4.1
107.04892	0.5
109.02847	6.0
116.04888	1.9
117.03339	1.1
119.04867	1.8
121.02775	0.5
124.02990	0.6
124.03906	12.2
127.03846	1.7
134.05980	3.4
144.04436	1.9
145.02829	3.1
146.05978	6.7
147.04367	1.9
147.06354	0.5
161.05885	0.5
162.05466	100.0
163.03903	0.7
163.05826	3.5
163.34790	0.5
173.95396	0.4
174.05481	1.7
175.03905	1.1
177.05472	3.2
189.52074	0.4
190.04971	9.3
191.77466	0.4
204.06581	0.8
207.06528	2.2
208.05962	4.1
221.74834	0.5
250.07092	0.7
262.07056	0.6
268.08063	2.9
270.07614	1.1
282.02713	1.9
316.08075	2.8
319.13684	0.5
334.09180	2.4
352.10233	1.7
359.99347	0.5
505.10767	0.6
518.18628	0.5
544.33209	0.5
601.17133	0.6
625.09491	0.5
795.69379	0.6
970.27814	3.6
971.27643	0.7
992.40350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.586
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.9
69.06981	2.5
69.83250	1.2
71.08548	11.0
72.04431	23.1
79.05404	4.6
81.06970	9.8
85.14232	1.0
93.06956	5.6
95.04893	1.5
95.08513	6.6
97.06467	1.3
97.10088	1.3
99.08006	5.9
100.07549	1.2
105.06989	2.0
107.08527	4.0
109.06441	2.2
109.10084	1.7
110.95104	1.0
114.09134	2.2
119.08524	1.7
121.10107	1.5
128.10698	1.5
142.12227	2.2
147.11661	1.0
149.13084	1.3
156.13812	1.6
165.12724	7.4
168.13815	2.3
170.15242	1.1
175.14685	1.2
182.15355	1.3
226.37331	1.1
232.70053	1.1
238.21535	12.4
291.23135	14.0
336.28885	100.0
337.29181	5.1
548.07874	1.4
550.06903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06989	2.4
70.02125	0.3
70.06512	0.6
71.07299	6.3
72.70025	0.3
79.05386	0.4
81.06960	1.2
83.08537	1.8
84.04421	0.4
86.09635	61.1
87.09982	0.3
93.06988	0.6
95.08541	1.2
97.10121	0.5
98.87289	0.3
98.98410	4.4
104.10690	82.8
105.11024	1.2
109.10107	0.6
112.98790	0.3
121.10097	0.6
124.99975	33.9
128.82597	0.3
143.01050	1.3
163.01501	0.7
168.15155	0.3
179.42177	0.3
184.07323	100.0
185.07672	0.6
215.14098	0.3
257.03622	0.3
258.10904	0.7
339.28772	2.4
421.60101	0.3
444.32516	0.4
504.34509	6.9
505.34946	0.5
522.35504	66.3
523.35846	7.0
554.96051	0.4
576.28625	0.3
703.62628	0.4
725.18756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6412
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06979	0.4
70.06507	0.2
71.07288	5.3
71.08549	1.7
72.08086	0.1
73.95905	0.1
76.99601	0.1
81.06968	0.7
82.92657	0.1
83.08545	0.4
85.10120	1.1
86.09626	53.8
87.09963	0.6
89.05933	0.1
92.10268	0.4
94.58712	0.1
95.08522	1.1
97.10116	0.2
98.98396	2.8
104.10679	88.6
105.10400	0.1
105.11014	1.0
109.10096	0.4
123.11678	0.1
124.99962	30.5
125.81673	0.1
126.00259	0.1
136.99915	0.1
141.62947	0.1
143.00983	0.8
163.01569	0.8
181.02643	0.2
184.07306	100.0
185.07671	1.3
198.96735	0.1
199.03685	0.1
216.97734	0.1
254.56984	0.1
257.24524	0.1
258.10986	0.8
283.26254	0.1
313.27301	2.9
313.30756	0.2
366.22034	0.1
373.84735	0.1
375.09576	0.1
419.25580	0.4
478.32861	6.8
496.33893	61.5
497.34225	3.7
498.45084	0.1
580.74969	0.1
802.80304	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	975.6439
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06425	4.3
71.08470	1.9
71.95132	0.6
72.08009	1.4
72.35606	0.4
72.95897	0.5
74.97471	0.4
84.04371	1.3
84.08020	0.6
86.09551	1.5
89.75137	0.4
92.10210	0.4
99.07956	0.6
101.07060	0.4
106.76801	0.4
120.08016	0.5
123.01079	0.5
133.01630	0.5
136.07481	0.5
141.02127	0.6
146.99541	2.1
155.03760	0.7
159.03212	0.6
165.00600	0.4
171.03223	0.9
173.04793	0.5
177.04352	0.5
183.03368	0.4
185.04721	0.9
187.02730	0.7
189.04260	0.6
189.07877	1.5
195.06819	0.7
197.04829	0.5
199.02670	0.4
199.06383	4.4
201.04245	0.6
203.05904	3.8
207.07022	0.4
207.08891	1.5
211.06300	2.2
213.07846	0.8
217.05463	0.7
217.07436	12.3
221.08528	0.4
225.07973	2.9
225.13429	0.4
227.09445	0.6
229.07431	4.2
231.09065	2.9
231.30621	0.4
233.69734	0.4
235.08160	0.4
237.07877	4.8
237.09897	0.5
239.09496	0.7
241.10925	0.8
243.07245	0.3
243.09036	5.2
247.08472	3.0
251.09509	0.7
253.10971	2.1
255.08984	21.6
257.10513	0.9
259.12122	1.6
261.10016	1.8
262.11069	0.4
269.10550	2.0
271.12134	3.1
272.22577	0.4
273.10052	20.6
277.11124	0.5
278.10498	1.6
280.09283	0.5
281.10583	0.6
287.11563	1.4
305.17529	0.4
315.16074	0.8
323.18912	2.7
333.17279	22.5
334.17725	0.4
351.18362	100.0
352.18451	2.7
367.17975	0.5
369.19421	92.8
370.20016	2.6
374.19962	6.1
387.20621	0.9
392.21048	6.0
627.39526	0.8
645.40179	3.2
663.41400	12.8
664.42267	0.5
975.63519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06509	4.4
70.43034	0.7
72.08073	1.3
79.63437	0.8
83.88920	0.9
145.02847	1.7
146.05971	4.7
162.05525	8.0
177.05460	4.2
184.00360	1.1
197.01222	3.5
207.06477	1.2
208.00397	1.0
209.01065	1.0
210.01971	7.7
215.02408	1.1
221.01189	1.9
228.03009	5.5
235.01479	24.2
235.99879	8.2
236.02100	2.1
237.00636	22.7
238.01411	6.6
239.02164	1.9
240.03123	0.9
250.03830	5.7
252.01666	1.6
253.02477	27.9
254.00920	12.6
254.03212	1.4
255.01715	15.7
256.02545	6.8
266.03470	1.1
268.04901	8.2
268.07602	1.2
269.02988	1.1
271.03568	3.5
281.02124	1.1
283.03647	1.4
286.05978	3.7
290.06772	1.3
305.07977	0.9
306.06104	13.0
306.09274	2.0
306.11841	1.0
307.07138	4.2
308.07895	4.6
317.07953	1.8
319.09573	1.1
321.11041	9.6
322.09576	2.1
324.10425	11.8
325.08286	9.6
326.09070	1.1
335.09027	5.0
340.10651	1.0
393.05026	3.6
394.03754	1.9
408.07401	1.1
420.08209	1.5
446.11356	11.5
464.12439	43.0
465.12506	1.9
479.14651	14.0
482.06766	1.7
482.13550	34.7
483.13516	1.7
497.15942	40.1
498.16177	3.3
500.14426	3.8
505.14313	1.3
515.17017	54.0
516.17065	1.2
539.08582	1.5
539.16895	47.2
540.17328	0.9
541.14618	1.8
557.17749	4.8
559.15930	1.6
580.19226	1.3
667.36047	1.1
904.30847	4.2
919.34186	100.0
920.34283	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	990.5796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06990	2.7
70.06511	0.8
70.43558	0.3
71.07290	4.5
79.05392	1.5
81.06977	6.6
83.08543	1.4
84.04447	0.5
85.06494	0.3
86.09629	27.2
91.05406	0.7
93.06976	2.6
95.08545	5.0
97.10080	0.5
104.10680	100.0
105.06971	0.8
105.11012	0.6
107.08534	0.6
109.10114	1.6
119.08546	0.8
121.10096	0.6
123.11636	0.4
124.34977	0.3
146.98155	24.0
147.11751	0.4
176.99200	0.7
184.07262	0.8
197.55365	0.4
204.83275	0.3
223.76332	0.3
231.51389	0.3
257.49219	0.4
269.34396	0.3
294.98471	0.4
337.27231	7.5
337.30923	0.4
339.29193	0.5
378.52396	0.3
392.13409	0.4
439.22137	1.4
483.24741	42.5
484.24924	1.7
542.32068	75.0
543.32623	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	992.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	3.1
69.03648	0.3
70.06515	0.9
73.02802	0.4
78.03368	3.6
80.04926	0.9
81.03341	8.4
85.02833	3.0
86.09548	0.4
91.05399	2.2
95.04861	0.6
96.04400	3.5
97.02847	3.5
99.04360	0.7
101.63704	0.4
106.02866	16.5
108.30956	0.4
109.02835	9.8
116.04909	0.9
117.03371	0.5
119.04898	0.6
121.02847	0.4
124.03915	41.0
125.04202	0.6
125.06704	0.4
127.03879	2.8
134.05983	4.5
144.04422	2.4
144.30107	0.4
145.02808	0.8
146.06003	2.7
147.04384	3.3
151.03865	0.6
162.05473	100.0
163.03860	0.5
163.05820	4.1
166.04953	0.8
177.05426	2.3
186.05469	0.5
190.04971	9.6
194.04430	0.8
207.06517	1.6
208.06061	2.5
250.07097	2.2
268.08109	16.7
269.08533	0.5
276.55417	0.4
280.64600	0.4
282.02826	0.9
297.97540	0.4
316.08188	0.7
334.09219	0.8
352.10236	0.8
359.45602	0.4
429.12860	3.5
457.11951	0.7
468.97729	0.4
583.15533	1.8
601.16589	17.6
602.16577	0.6
619.07849	0.6
619.17584	14.6
620.17957	0.6
781.22772	0.8
782.22668	0.4
837.66003	0.5
896.19226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06996	1.0
70.06520	0.2
71.07286	6.0
71.08535	0.1
72.07626	0.1
73.78755	0.1
75.37569	0.1
79.05407	0.8
81.06503	0.1
81.06972	2.8
83.04921	0.1
83.08532	0.5
86.09622	57.7
87.09935	1.0
91.05399	0.6
92.10892	0.2
93.06964	1.0
95.08522	2.2
97.06429	0.1
97.10107	0.2
98.98393	4.4
104.10674	85.2
105.06969	0.4
105.10400	0.1
105.11004	1.1
107.08548	0.5
109.10095	0.6
116.99442	0.1
119.08480	0.2
120.33224	0.1
121.10117	0.2
123.11696	0.2
124.99957	35.0
126.00291	0.2
133.10114	0.2
135.11719	0.1
143.01041	0.8
147.11722	0.1
163.01511	1.1
170.79404	0.1
181.02606	0.4
184.07297	100.0
185.07677	1.4
201.95824	0.1
258.10980	1.0
300.52518	0.1
316.97351	0.1
337.27252	1.2
443.25391	0.5
443.30988	0.1
502.32800	5.7
503.33087	0.4
520.33862	67.4
521.34137	6.1
1030.57104	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06982	0.3
69.70618	0.0
70.06508	0.1
71.07287	3.0
79.05410	0.1
80.97335	0.1
81.06961	0.4
83.08540	0.1
86.09624	35.3
87.09962	0.4
91.05383	0.1
92.10983	0.1
93.06960	0.2
95.08511	0.3
97.10086	0.0
98.98390	3.1
104.10675	3.0
109.10088	0.1
110.71545	0.0
116.99458	0.1
124.99960	26.2
126.00291	0.2
143.01015	0.5
148.97670	0.0
152.85172	0.0
163.01654	0.1
184.07303	100.0
185.07646	1.3
188.92953	0.0
258.11014	0.2
301.37213	0.1
337.27365	0.2
502.32748	1.4
509.56723	0.0
520.33881	18.6
521.34161	1.3
551.67224	0.1
747.16248	0.0
873.45447	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6065
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95477	0.3
78.95908	5.3
89.22392	0.2
92.12398	0.2
96.96970	0.3
98.26067	0.2
99.81344	0.2
152.99582	12.6
171.00655	1.0
172.87752	0.2
183.54065	0.2
227.03230	1.9
237.22255	0.2
245.04391	1.3
255.23311	100.0
256.23660	2.4
270.18600	0.2
279.23404	0.2
283.77017	0.2
483.27316	49.6
484.27609	1.6
893.84558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.6867
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05055	0.7
90.00580	0.6
96.44901	0.5
99.08166	0.7
101.43307	0.6
117.00460	0.5
132.02173	0.6
139.11287	2.9
140.56738	0.6
141.04132	1.1
149.06076	0.6
149.09666	0.8
153.04024	0.5
160.01601	0.7
160.49437	0.6
165.12848	8.2
170.30746	0.6
171.10309	2.7
193.08508	4.8
194.97072	0.6
205.12173	0.7
211.08325	1.3
211.13470	9.1
221.11612	3.5
223.11972	3.8
225.13512	2.7
225.42719	0.5
226.07124	1.0
229.14429	3.9
231.10197	0.9
233.11665	28.8
247.08278	0.9
249.09595	13.0
251.11360	100.0
252.11656	3.5
303.18091	0.7
329.23383	25.8
333.19299	8.3
351.21359	23.3
681.44891	70.3
682.45013	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	1015.554
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	7.0
79.05531	0.3
87.31352	0.2
91.51288	0.3
96.96923	0.4
106.43500	0.2
109.82404	0.2
152.99590	11.6
171.00662	1.3
227.03302	1.4
245.04303	1.5
261.21942	0.3
279.23291	100.0
280.23550	3.1
303.06622	0.3
366.25967	0.3
507.27304	58.5
508.27597	2.0
804.15906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.6497
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	13.1
72.99299	0.6
73.02927	0.5
73.20916	0.4
75.00874	7.9
80.11905	0.4
83.01382	3.6
85.02462	0.9
85.02942	15.5
85.79707	0.4
85.90945	0.4
87.00875	5.1
87.66047	0.4
89.02432	3.0
91.04014	0.9
92.05361	0.4
94.20244	0.5
95.01369	5.1
99.00874	13.2
103.00345	0.6
111.00883	2.6
112.01659	0.8
113.02444	24.4
115.04021	0.4
131.03477	2.4
157.01431	1.9
184.41127	0.5
227.65233	0.4
249.06157	9.7
255.23312	83.8
256.23685	3.6
267.07187	2.8
281.24716	0.6
423.25375	1.0
425.31921	0.5
451.49030	0.5
491.62042	0.5
505.30243	100.0
506.30692	6.8
536.69714	0.4
760.61890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.6609
Annotation	Unknow
Peak:m/z	Relative Intensity
72.40862	0.8
107.29526	0.6
113.09738	8.0
140.65604	0.6
171.10236	2.5
172.38718	0.6
201.11244	0.7
227.06018	0.7
237.04405	1.0
239.06137	1.3
241.07607	15.9
251.05945	2.8
253.07573	5.5
255.09195	4.3
257.07162	6.6
265.07593	3.1
267.09167	6.4
268.06345	4.0
269.07095	1.1
285.06641	0.9
293.10696	0.9
296.09381	4.3
297.06665	1.6
315.07471	0.9
328.08398	11.5
329.23398	7.6
349.17001	50.0
350.17285	0.9
367.18073	13.2
409.18994	2.2
411.16824	1.4
413.79620	0.8
435.20465	2.9
439.20175	1.4
441.49847	1.1
682.18774	0.7
697.42188	100.0
698.42542	3.3
708.43909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.6619
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.8
83.05013	0.3
84.02133	0.2
90.97097	0.2
92.12415	0.5
95.05025	0.4
99.08148	0.6
127.11230	0.4
132.98181	0.4
139.11285	1.4
157.01831	0.4
162.33289	0.2
163.00757	0.2
165.12802	0.7
167.14400	0.3
171.10303	2.7
173.01370	0.4
175.03998	0.2
183.13911	1.7
185.01242	0.4
191.03802	0.3
198.17186	0.2
199.02925	0.3
203.03906	0.3
209.01323	0.3
211.02898	0.9
211.13414	5.5
213.04526	0.2
217.05571	0.3
222.90659	0.2
225.04416	0.9
227.06021	4.5
229.07693	0.3
229.14471	2.4
235.06575	0.3
237.04419	0.8
237.08015	1.2
239.06009	0.2
239.09735	0.3
242.04659	0.7
245.04977	1.0
247.06535	0.7
249.08870	0.9
251.05917	0.8
253.07570	1.3
255.09135	0.8
261.04419	0.3
263.06119	3.0
265.07590	31.5
266.07901	0.3
267.09152	54.3
268.09564	0.9
269.07187	0.3
271.04877	0.3
279.05524	1.3
279.08694	0.3
281.07077	1.5
283.08676	0.4
285.10059	1.8
293.10681	0.4
297.06506	0.7
309.06534	1.2
311.08133	7.6
321.10251	1.4
321.17242	0.2
329.23334	8.3
335.15390	0.4
337.16971	0.3
347.15363	0.9
349.13367	0.5
349.17001	6.4
351.90756	0.2
363.14597	0.3
365.16531	4.6
367.18060	6.6
368.18286	0.2
375.18658	0.3
381.15848	0.9
391.18076	0.4
409.19525	0.3
411.17111	0.3
415.21979	0.2
417.19089	0.4
417.23779	0.3
421.19116	9.5
422.19406	0.2
431.21130	0.4
433.22797	1.6
439.20172	0.8
443.20590	0.2
447.20663	1.0
449.21973	1.4
459.20172	0.4
461.22272	20.1
462.22809	0.7
479.23309	3.6
489.21713	0.4
495.63992	0.2
539.29114	0.8
543.29913	0.8
561.31274	0.4
579.32050	1.5
597.33228	1.2
697.42194	100.0
698.42645	5.4
777.32355	0.2
985.39362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.6137
Annotation	Unknow
Peak:m/z	Relative Intensity
75.38542	0.1
78.95895	3.2
80.21837	0.1
93.72375	0.1
99.01521	0.1
101.82230	0.1
104.97451	0.1
110.98521	3.1
152.99556	0.4
165.84262	0.1
167.01126	1.3
185.02203	2.6
241.84746	0.1
244.54836	0.1
246.12965	0.1
281.24854	100.0
282.25198	2.7
400.14874	0.1
449.26755	35.1
450.27078	1.3
548.52655	0.1
634.35516	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	44.9
79.95733	0.2
89.95866	0.2
96.95988	1.1
96.96957	9.3
97.87187	0.2
102.25709	0.2
104.77557	0.2
119.57281	0.2
150.98018	1.0
152.99599	79.4
153.99947	0.3
171.00645	2.6
206.98764	0.2
223.00168	11.0
241.01218	23.2
242.01501	0.2
259.02197	2.1
281.24884	78.8
282.25204	2.5
315.04907	9.0
333.06183	0.8
353.20132	2.5
532.75702	0.2
597.30566	100.0
598.30945	4.8
714.19244	0.2
1037.07983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
80.75816	0.5
96.91430	0.5
97.02931	0.4
104.02691	0.7
117.03428	2.1
119.04991	3.1
121.02927	0.4
125.02400	1.0
132.02158	33.6
133.02933	4.3
134.03728	20.0
137.02470	0.8
145.02977	0.5
147.04530	1.0
149.06046	2.8
160.01648	100.0
161.02435	6.4
163.03996	1.8
175.03992	70.1
176.04353	1.9
178.02702	2.2
179.03522	0.7
193.05060	13.7
195.03505	0.4
242.05875	0.9
254.98039	0.4
256.24863	0.4
259.06253	0.6
274.54050	0.5
301.07104	0.6
319.08310	1.0
361.09283	0.9
518.90918	0.5
667.18597	1.8
727.24481	0.6
801.22565	3.4
819.23334	1.9
843.24023	3.2
861.24646	8.7
977.26862	2.2
995.28589	1.1
1037.29395	21.4
1038.29749	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	1049.6794
Annotation	Unknow
Peak:m/z	Relative Intensity
78.55836	0.1
78.95899	11.6
96.96925	0.1
110.95056	0.1
112.41270	0.1
122.98518	0.1
152.98334	0.1
152.99579	3.0
162.01874	0.1
168.04298	3.2
194.05829	0.3
224.06958	8.4
225.07159	0.1
227.15399	0.1
237.22212	0.3
242.08018	1.5
250.21825	0.1
255.23322	100.0
256.23657	2.0
307.56915	0.1
480.30997	59.6
481.31360	1.5
495.27386	0.4
554.34753	3.7
555.34656	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	1051.5976
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	11.8
80.58215	0.1
94.98995	0.2
97.10648	0.1
104.97452	0.6
110.98521	9.6
112.48201	0.1
125.19423	0.1
137.00078	0.5
152.99561	0.2
167.01128	11.1
185.02185	3.0
256.87881	0.1
261.22275	0.5
279.23288	100.0
280.23639	3.0
447.25201	54.8
448.25674	1.8
485.83716	0.1
928.26318	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	1051.5964
Annotation	Unknow
Peak:m/z	Relative Intensity
78.70985	0.1
78.95903	11.4
81.85298	0.1
82.40089	0.1
92.12407	0.2
93.89843	0.1
104.97482	0.3
110.98536	9.5
137.00093	0.5
152.99573	0.3
167.01149	8.4
179.00494	0.1
185.02209	2.8
279.23306	100.0
280.23663	3.1
356.90973	0.1
441.74896	0.2
447.25220	49.0
448.25500	2.6
555.40485	0.2
733.16681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02972	0.5
91.01900	0.6
92.11768	0.7
96.96008	2.2
101.02409	0.9
113.02425	0.7
116.05075	0.9
119.05061	2.3
120.04503	2.1
123.97605	0.5
125.02460	0.9
125.31397	0.5
127.46427	0.5
131.03746	1.3
132.04573	3.3
134.06094	1.0
137.02423	0.7
144.04552	10.5
145.02997	0.6
146.06143	10.9
147.03300	4.7
148.04042	1.3
159.03256	0.8
160.04039	28.8
161.02420	0.9
161.04765	1.3
162.05605	100.0
163.05931	1.2
172.04050	2.8
174.05612	3.5
178.05113	2.2
186.05614	3.4
187.02812	1.1
188.03528	38.9
190.05083	8.8
200.07338	0.6
202.05133	3.5
204.03073	1.2
204.06593	4.5
206.04607	58.7
207.04958	1.2
216.06790	0.6
228.06659	2.3
230.04559	5.0
246.28419	0.7
248.05638	15.7
290.06766	4.0
304.08420	0.8
308.07727	0.9
313.17538	0.6
350.08902	4.4
368.09912	3.3
374.63684	0.6
396.99890	0.8
410.11044	3.1
524.26263	0.6
541.14545	5.4
557.14215	7.7
583.15875	4.3
599.15228	1.2
685.18909	3.6
719.19904	2.1
768.16956	0.6
847.23993	0.8
892.24286	13.0
893.24829	0.8
934.24915	1.0
976.26385	2.1
1054.29785	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	1055.6285
Annotation	Unknow
Peak:m/z	Relative Intensity
75.70409	0.3
78.95898	7.8
85.67876	0.3
88.99739	0.3
92.12440	0.8
110.98539	6.8
116.92850	1.4
136.58414	0.3
167.01131	5.1
168.95650	0.3
181.45245	0.3
183.02571	0.3
185.02203	2.9
281.24869	100.0
282.25177	3.1
405.87250	0.4
449.26779	47.0
450.26895	2.4
631.45581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
76.57186	0.9
85.02953	1.0
89.62769	1.0
96.31371	0.8
96.96040	1.4
100.54066	0.8
101.02444	1.7
120.04558	1.4
121.01723	1.1
122.02471	6.5
125.02448	7.1
131.03777	1.6
132.04559	7.1
133.02943	1.5
134.03706	1.3
138.05623	1.8
144.04553	15.6
146.06139	11.2
147.03247	2.0
148.04034	3.9
149.00012	1.9
149.01195	42.9
158.06073	1.0
159.03177	2.0
160.04041	41.6
161.04510	0.9
162.05602	100.0
163.05991	1.9
164.03532	16.4
172.04074	2.3
174.05577	1.1
178.05138	5.0
179.03381	1.0
186.05591	2.2
187.02739	7.7
188.03539	70.5
190.05142	8.6
192.02966	1.2
194.04546	1.1
195.01720	1.0
202.05057	4.1
204.03047	1.4
204.06664	5.8
206.04597	77.5
210.28546	1.0
223.06197	1.0
223.39363	1.2
230.04509	9.7
248.05698	18.5
249.05937	0.9
272.05716	0.9
278.06635	4.0
290.06644	1.4
308.07776	6.8
334.09277	1.5
350.08917	3.8
368.09869	2.2
404.44022	1.0
410.10904	21.2
452.11954	1.9
456.36172	1.1
470.12747	1.0
512.14215	13.3
530.15155	2.0
541.14703	10.4
579.49084	1.1
583.15796	5.2
643.17786	1.3
703.20337	1.4
723.19000	12.7
745.20966	8.8
820.93231	1.2
847.23865	6.7
896.21558	1.1
1058.27966	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	1070.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02960	0.5
85.31580	0.5
96.95954	0.7
97.02946	0.6
101.02412	0.8
110.72462	0.4
113.02447	0.6
119.05009	2.3
120.04556	1.0
125.02423	0.8
131.03548	0.6
132.04546	3.0
134.03691	0.5
134.06104	1.1
135.04454	0.5
137.02486	0.8
143.75732	0.5
144.04555	7.7
146.06105	5.2
147.03285	5.1
148.04057	2.3
158.06165	1.0
159.03322	0.9
160.01851	0.8
160.04039	25.8
161.02429	0.7
161.04759	2.7
162.05602	100.0
163.05954	1.1
172.04088	1.9
174.05582	2.8
175.03975	2.2
176.07181	0.8
178.05037	1.7
178.42671	0.5
186.05600	3.8
187.02724	2.1
188.03532	38.2
189.03836	0.6
190.05125	7.9
202.05110	4.1
204.03073	0.9
204.06657	6.0
206.04597	62.0
207.04892	0.8
228.06671	0.6
230.04581	6.4
248.05640	15.3
290.06744	5.4
301.07181	0.6
308.07745	0.7
350.08704	5.1
350.38257	0.6
368.10019	0.9
405.49487	0.5
410.10916	1.0
468.09055	0.7
468.15048	6.8
557.14197	14.0
599.15179	4.0
641.16437	0.6
655.18323	0.7
701.18597	4.0
719.19348	2.6
857.17230	0.6
863.23767	1.9
869.90649	0.6
908.23425	11.2
950.97394	0.6
992.25348	1.0
1010.27148	1.9
1070.29346	9.0
1084.13098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.6329
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	14.6
81.86197	0.3
96.58558	0.4
99.63633	0.4
101.37757	0.3
114.38608	0.4
152.99606	3.3
168.04314	3.9
224.06944	10.0
242.07954	1.9
261.22107	0.3
275.72632	0.4
279.23288	100.0
280.23642	2.8
356.16196	0.4
408.41284	0.4
426.22998	0.4
504.31012	66.5
505.31323	2.6
552.83765	0.4
554.30347	3.9
555.28430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
74.89749	0.1
75.00876	1.0
81.21268	0.1
83.01382	4.0
85.02940	1.2
87.00860	0.5
87.28246	0.1
89.02410	0.1
93.03420	0.1
95.01392	0.2
99.00876	0.9
101.02435	0.1
107.01393	12.9
108.02193	2.8
108.99341	0.2
113.02444	2.1
115.00361	0.2
119.05019	0.6
123.00883	0.3
123.04527	2.1
124.01611	0.2
125.02441	2.8
134.03740	15.9
135.04526	0.3
136.01656	1.5
137.02434	0.2
147.37750	0.1
149.06088	15.8
150.06483	0.2
151.00378	50.5
152.00848	0.8
158.03691	0.2
160.01659	0.3
162.05658	0.2
164.01164	5.5
165.01942	2.2
167.03427	0.2
169.01425	3.6
174.03244	1.5
175.02644	0.1
175.04018	0.9
177.01938	4.1
191.07173	0.7
196.00156	3.9
199.04041	1.4
200.04771	0.5
201.01933	1.4
202.02739	0.2
213.05516	0.2
214.06477	0.3
215.03500	0.5
215.07205	0.5
216.04256	0.4
217.05077	0.6
218.05756	0.2
224.04790	0.2
224.23106	0.1
233.08238	0.3
240.04414	0.2
241.05060	0.7
242.05887	1.6
257.08221	1.9
258.05304	0.8
259.06143	0.6
268.03833	0.1
285.04016	0.8
286.04816	2.8
287.05542	0.1
301.07208	100.0
302.07596	2.8
337.07733	1.6
343.08276	0.2
373.09790	0.2
436.22214	0.2
543.08582	0.1
606.49042	0.1
638.17426	0.2
639.15765	53.5
640.16132	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1086.7961
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	5.2
80.25177	0.3
91.14874	0.4
96.95998	0.6
99.08150	0.3
125.09653	0.4
134.22408	0.4
141.12804	0.4
142.39580	0.3
147.32448	0.4
152.07512	0.3
152.99553	2.5
162.88300	0.3
168.04242	1.3
171.10257	33.0
224.06989	0.4
226.06007	0.3
242.07997	2.0
255.23300	100.0
256.23566	2.0
259.20566	0.5
275.20184	0.5
277.21719	44.5
278.22012	1.9
279.23264	0.6
295.22787	99.9
296.23154	3.1
361.39575	0.4
407.46936	0.5
480.30972	54.1
481.31128	1.2
483.27377	2.4
731.48987	1.7
751.96936	0.5
790.56116	7.8
790.69708	0.5
791.56403	0.4
884.83215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6467
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	20.9
122.98463	0.5
152.99571	5.0
168.04286	4.4
175.20114	0.3
224.06949	11.7
233.22830	0.3
242.07951	1.8
259.20667	0.4
275.20212	0.4
277.21713	100.0
278.21976	2.1
502.29425	85.2
503.29425	2.1
517.25372	1.0
576.33234	4.0
695.54083	0.3
771.75555	0.3
919.00720	0.3
1012.75623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6786
Annotation	Unknow
Peak:m/z	Relative Intensity
76.39097	0.1
78.95897	4.3
90.59790	0.0
122.98475	0.1
138.33362	0.1
140.42599	0.1
152.99582	1.3
159.38786	0.1
168.04301	1.7
171.00681	0.1
194.17804	0.1
201.28403	0.1
203.48843	0.1
224.06955	1.0
242.07973	2.5
261.22232	0.4
279.23294	100.0
280.20657	0.1
280.23630	2.4
355.98257	0.1
504.31006	51.5
505.31354	1.6
519.27545	0.5
578.34656	3.0
579.35345	0.1
1050.24780	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	1097.6783
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	14.0
92.12334	0.1
96.96938	0.4
104.97465	0.1
122.98531	0.4
134.98497	0.1
137.20221	0.1
152.99577	3.1
153.00780	0.2
168.04297	3.6
194.05849	0.2
218.54007	0.1
224.06949	9.1
242.07990	2.1
261.22110	0.5
279.23300	100.0
280.23608	2.1
359.30655	0.1
415.22125	0.1
441.17233	0.1
504.31003	65.6
505.24500	0.1
505.31396	1.8
519.27570	0.6
543.48126	0.1
578.34735	3.0
671.56305	0.1
758.75226	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	1101.6341
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95482	0.2
78.95905	5.2
80.53279	0.1
86.60513	0.1
88.37855	0.1
92.96548	0.2
93.37074	0.1
104.97508	0.2
110.98524	5.2
111.50867	0.1
132.33237	0.1
134.79724	0.1
152.99539	0.2
167.01135	3.2
185.02205	2.9
249.86938	0.1
279.23300	100.0
280.23611	3.2
447.25220	42.1
448.25446	1.7
500.22409	0.2
565.92548	0.2
811.56403	0.2
830.42236	0.2
1080.51392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.6344
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	3.4
83.05016	0.1
83.84946	0.0
104.97446	0.1
110.98522	3.1
133.50497	0.0
144.31192	0.1
152.91455	0.0
152.99583	0.2
167.01128	1.2
185.02191	3.1
236.92294	0.1
261.22101	0.4
279.23291	100.0
280.23630	3.3
297.64587	0.1
321.43127	0.1
447.25211	36.3
448.25568	1.6
927.24487	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	1101.6345
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	9.3
92.11733	0.4
94.99037	0.2
104.97466	0.5
110.98524	7.9
137.00076	0.3
143.38196	0.2
152.99617	0.2
167.01135	8.5
185.02205	2.7
186.38881	0.2
216.20039	0.1
242.07144	0.2
261.22198	0.3
279.23291	100.0
280.23535	2.0
345.73987	0.2
351.40546	0.2
447.25208	49.6
448.25681	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.7099
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	12.4
83.99387	0.1
87.22772	0.1
96.96950	0.3
100.72723	0.1
114.38388	0.1
122.98499	0.3
133.23666	0.1
134.98505	0.1
143.19704	0.1
152.99577	2.6
168.04306	2.8
194.05838	0.1
224.06938	9.3
242.07967	2.2
251.69688	0.1
281.24854	100.0
282.25189	2.5
290.68616	0.1
506.32520	61.9
507.32791	1.6
521.28912	0.5
580.36206	3.2
581.36407	0.1
582.08978	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	1101.7105
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	4.0
114.39398	0.1
152.99562	1.3
168.04335	1.5
224.06960	1.1
242.07988	2.3
257.00809	0.1
266.01822	0.1
274.39139	0.1
281.24872	100.0
282.25214	2.7
385.66940	0.1
454.82529	0.1
468.33292	0.1
506.32553	51.0
507.32870	2.3
521.28857	0.4
580.36237	3.2
581.27759	0.1
581.36578	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	111.0087
Annotation	2-Furoate
Peak:m/z	Relative Intensity
50.56011	0.2
53.00314	0.3
55.01884	0.2
61.94408	0.2
63.17680	0.2
67.01891	10.4
78.95899	100.0
79.38886	0.2
83.01405	1.0
85.02947	0.9
96.48049	0.2
110.97593	1.8
110.98533	4.0
111.00885	22.3
111.02007	6.5
112.01206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.618
Annotation	Unknow
Peak:m/z	Relative Intensity
78.56823	0.0
78.95898	48.3
90.11818	0.1
96.96952	6.9
105.43036	0.1
110.98548	0.1
150.98016	2.5
152.99583	100.0
153.99884	0.5
171.00638	3.8
213.52370	0.1
265.21716	1.3
279.23291	1.3
302.53656	0.1
411.43481	0.1
433.23621	32.4
434.23907	1.0
639.67578	0.1
1112.64673	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	1112.6062
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	38.7
86.21909	0.2
96.96956	9.4
103.26888	0.2
117.54565	0.2
134.98602	0.2
150.98053	0.4
152.99591	55.0
171.00667	0.5
223.00165	3.2
241.01207	27.9
254.68082	0.2
259.02304	0.9
279.23306	67.5
280.23605	2.3
315.04919	7.4
415.22552	1.5
441.50739	0.3
595.28998	100.0
596.29169	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	1123.6188
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	5.4
107.01071	0.2
110.98523	4.7
117.72071	0.2
147.52933	0.2
152.99588	0.4
167.01131	2.3
185.02193	3.6
213.10114	0.2
233.22733	0.4
259.20624	0.8
270.60385	0.2
275.20111	0.3
277.21725	100.0
278.22034	1.9
305.79169	0.2
306.06580	0.2
408.68832	0.2
445.23633	45.4
446.23907	1.5
462.55792	0.3
838.93439	0.3
1030.64197	0.3
1145.50867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.6347
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	3.8
83.05009	0.0
90.78383	0.0
94.99019	0.0
100.07365	0.0
104.97445	0.1
110.98527	3.3
111.66773	0.0
136.51735	0.0
137.00085	0.1
152.99522	0.3
167.01132	1.5
185.02197	3.2
261.22284	0.6
279.23300	100.0
280.23633	2.1
334.82446	0.0
447.25208	35.6
448.25562	0.8
853.28967	0.1
864.52063	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.6495
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	12.1
110.98528	9.2
152.99591	0.4
167.01140	9.2
185.02206	2.4
267.93079	0.2
279.23312	100.0
280.23630	2.9
356.22299	0.3
447.25220	51.7
448.25458	1.1
567.39154	0.3
721.89093	0.2
801.69745	0.2
1039.20667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.6651
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	3.7
110.98540	2.6
145.84773	0.2
152.99602	0.4
167.01117	0.4
173.48441	0.3
185.02206	2.4
211.40309	0.3
281.24869	100.0
282.25046	2.3
381.19211	0.3
449.26776	34.3
450.27295	0.8
639.52753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0559
Annotation	Proline
Peak:m/z	Relative Intensity
66.03490	1.6
71.01373	2.2
75.45978	0.2
86.02460	1.1
90.99105	0.2
112.04048	0.3
114.05595	100.0
114.93378	0.5
115.05941	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	1147.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
81.53790	0.1
85.02927	0.5
87.00842	0.3
97.02938	0.3
99.00811	0.2
101.01247	0.1
101.02419	0.9
104.02632	0.3
111.00860	0.2
113.02442	0.9
117.03458	0.7
119.05000	0.6
121.02921	0.2
125.02415	0.3
128.65138	0.1
132.02164	25.6
133.02985	2.0
133.33784	0.2
134.03728	15.7
135.04504	1.0
137.02415	0.7
139.03979	0.3
143.03503	0.2
147.04536	0.3
149.06068	3.4
150.03117	0.1
158.03773	0.2
160.01653	100.0
161.02432	4.0
161.04448	0.2
162.05566	1.0
175.03995	94.0
176.04320	1.4
177.01936	0.2
178.02728	2.4
179.03429	1.0
187.03894	0.2
188.03490	0.6
193.05060	15.0
194.05597	0.2
199.46465	0.1
206.04570	0.8
207.06607	0.2
211.13361	0.6
217.05009	0.2
221.08191	0.2
229.14333	0.2
230.61565	0.1
235.06090	0.2
247.06079	0.7
257.08136	0.2
265.07233	1.3
304.06131	0.2
307.08459	0.3
319.08228	1.2
327.21716	2.3
337.09406	1.4
424.93579	0.1
463.65717	0.2
481.13486	0.3
499.14508	0.3
513.14136	1.2
541.15729	0.6
559.17157	0.3
583.16638	0.7
601.17773	1.6
625.18042	1.2
643.18927	2.5
676.62915	0.2
717.20581	0.7
735.21027	0.3
759.21375	4.1
760.21570	0.2
777.22498	8.5
778.23639	0.2
819.23627	63.5
820.23846	3.4
867.57397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.476
Annotation	Unknow
Peak:m/z	Relative Intensity
82.77061	0.1
83.01379	0.2
85.02953	0.1
87.00859	0.1
89.02427	0.2
89.03934	0.1
97.02958	0.2
99.00881	0.2
101.02445	1.0
104.02653	0.3
104.83830	0.1
113.02455	0.8
114.39181	0.1
117.03463	0.8
119.04993	0.2
121.02861	0.1
125.02419	0.5
132.02161	27.1
133.02975	2.0
133.80138	0.1
134.03731	13.9
135.04460	0.7
136.01666	0.2
137.02420	0.5
147.04568	0.2
149.06081	2.7
151.04039	0.1
160.01656	100.0
161.02415	4.3
162.03194	0.2
173.06073	0.1
175.03996	97.0
176.04341	1.5
177.05551	0.1
178.02711	1.9
179.03523	0.6
191.07146	0.2
193.05058	13.1
194.05437	0.3
206.04570	0.2
207.06708	0.1
211.13396	1.0
229.14497	0.5
235.06087	0.2
247.06110	0.6
254.51418	0.1
265.07211	0.8
319.08270	0.9
329.23334	3.6
337.09113	0.9
361.09302	0.5
379.10342	0.5
481.13815	0.2
499.14679	0.6
517.15491	0.2
523.14740	0.2
541.15680	0.5
555.15234	0.6
559.16663	0.7
565.15582	0.2
583.17035	1.1
601.17645	1.3
625.17706	1.2
643.18787	3.9
663.11774	0.1
717.20490	0.2
759.21503	6.5
777.22467	4.1
778.23016	0.2
819.23633	55.8
820.23999	3.7
882.73383	0.1
944.81702	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39292	0.2
56.71790	0.2
59.01375	0.5
70.78837	0.2
73.02940	26.2
83.08414	0.3
87.75851	0.2
99.00854	3.0
99.92572	30.0
100.92574	1.6
116.07154	0.4
116.92844	100.0
117.01939	6.0
117.92860	8.7
126.64500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51604	0.2
55.01891	0.3
58.59533	0.2
73.02942	100.0
74.03279	1.6
74.09074	0.2
81.73186	0.2
99.00871	8.9
99.92570	2.7
116.92000	0.3
116.92845	11.8
117.01926	21.8
117.92837	1.3
118.02235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
54.43320	0.1
55.01882	0.4
66.32575	0.2
69.86504	0.1
73.02943	100.0
74.03280	1.1
75.85822	0.2
85.41857	0.1
92.12304	0.3
97.01573	0.2
99.00871	9.6
99.92571	1.7
100.75616	0.1
116.92857	5.6
117.01939	19.9
117.92928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
92.11705	0.3
97.69258	0.2
101.02419	0.2
104.02701	0.3
105.03440	1.1
115.01908	0.3
117.03451	0.8
123.04453	0.3
132.02158	6.5
133.02939	42.7
134.03741	4.0
135.04512	3.4
137.02425	0.3
149.06090	0.7
160.01636	4.6
160.03885	0.2
161.02432	100.0
162.02747	1.2
162.05652	0.2
175.03981	5.6
178.02763	0.4
179.03484	2.5
193.05032	4.2
200.23071	0.2
265.07257	0.3
275.44147	0.2
337.09467	0.3
541.15637	0.2
559.16809	0.2
636.98547	0.2
671.18372	1.1
787.20636	0.3
795.73987	0.2
805.22040	3.1
836.63593	0.2
847.23041	54.2
848.23413	3.0
864.12903	0.2
878.12000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.6553
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05010	0.1
83.11324	0.1
92.11718	0.2
96.96944	0.7
115.41015	0.1
116.17168	0.1
117.78500	0.1
123.20969	0.1
152.99582	13.3
171.00609	1.3
227.03229	1.5
245.04303	1.1
261.22266	0.4
279.23300	100.0
280.23615	2.3
309.65671	0.1
507.27310	59.6
508.27554	1.3
514.37738	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	1185.6555
Annotation	Unknow
Peak:m/z	Relative Intensity
82.39646	0.1
96.96952	1.3
103.08803	0.1
150.56137	0.1
150.98024	0.6
152.99583	30.9
153.99982	0.1
171.00623	1.7
227.03288	3.3
237.95900	0.1
245.04382	1.0
245.62714	0.1
261.22363	0.2
279.23303	100.0
280.23633	2.7
306.91187	0.1
415.22495	0.3
433.23587	0.2
485.46301	0.1
507.27322	76.5
508.27655	2.7
544.29529	0.1
581.99786	0.1
651.01160	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
55.01883	0.2
57.90807	0.2
59.01387	100.0
60.01705	1.6
61.98835	0.3
67.10629	0.2
68.47544	0.2
69.46861	0.2
71.01376	2.6
71.15844	0.2
72.99344	0.2
73.02940	0.2
75.00059	0.2
76.22260	0.2
76.57178	0.2
92.56200	0.2
93.03444	1.1
101.02477	0.2
118.92652	0.4
119.05019	51.0
120.05328	2.5
124.49696	0.2
126.83786	0.2
127.08862	0.2
127.14883	0.2
127.98852	0.2
129.24591	0.2
138.70245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
86.50549	0.5
99.08248	0.5
101.02458	1.0
122.44704	0.5
132.02170	28.9
133.02960	0.9
134.03731	13.1
137.02464	0.7
141.87801	0.6
149.06059	3.1
160.01656	100.0
161.02255	4.8
162.05605	1.3
175.04001	88.5
176.04343	2.8
177.01955	0.6
178.02695	2.1
185.09738	0.5
192.99240	0.6
193.05077	11.8
199.13408	2.4
211.13412	1.0
293.21075	0.8
297.72400	0.6
319.95914	0.5
329.23373	19.3
344.99762	0.6
380.88052	0.6
552.01337	0.7
643.18469	1.2
685.19550	1.2
685.71509	0.5
777.21545	0.8
801.22479	6.7
819.23523	5.2
861.24695	70.4
862.25293	7.0
863.25647	2.4
1084.91504	0.7
1191.31604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
84.03030	0.2
92.12364	0.5
96.96953	10.1
134.98477	0.3
150.98009	0.9
152.99582	51.8
171.00648	0.9
201.23772	0.2
223.00113	2.5
241.01193	31.6
259.02191	0.9
278.50961	0.3
279.23285	71.6
280.23785	1.9
315.04883	7.7
415.22635	1.7
595.28949	100.0
596.29254	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	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
59.01374	0.3
63.68175	0.1
91.01879	0.8
92.02640	0.2
93.03438	1.3
94.02995	0.4
95.01409	0.3
108.02188	2.0
119.40051	0.1
120.02132	0.2
121.02946	100.0
122.02465	0.9
122.03265	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	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
57.42255	0.7
71.25218	0.7
85.44454	0.8
92.12082	1.0
93.03393	0.9
99.20699	0.7
121.02946	100.0
122.02459	1.5
122.03295	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	122.0247
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
67.03011	1.4
78.03495	1.3
80.05027	1.5
94.02972	5.5
103.77917	1.2
104.90720	1.3
115.16508	1.3
122.02464	100.0
123.02778	2.5
126.74180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0353
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
50.39550	0.3
50.64972	0.4
82.02969	2.8
84.04543	0.6
85.02946	34.0
92.12305	0.7
98.26195	0.4
100.71017	0.5
128.03529	100.0
128.07162	13.3
129.01953	3.5
129.03896	4.4
129.07472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44509	0.6
69.24887	0.6
70.10271	0.5
72.93985	0.8
73.16573	0.5
75.94408	0.6
82.02975	2.8
85.02957	44.2
99.11806	0.5
101.02456	1.1
128.03526	100.0
128.07166	31.5
129.01926	4.2
129.03831	4.4
133.00349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0661
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
51.46074	0.9
57.03455	4.1
59.01377	4.4
60.07692	1.0
68.99833	1.0
69.03476	0.9
71.01378	5.1
73.02957	11.6
73.99339	0.8
74.31641	0.9
75.00892	1.3
78.37294	0.9
82.75288	0.9
85.02949	9.4
85.06583	1.1
87.04504	8.0
88.04044	1.9
88.61383	1.0
96.82098	1.0
101.02467	1.8
113.02454	1.1
126.25192	1.0
128.05054	60.8
129.05394	1.6
130.06618	100.0
130.08708	36.0
131.03535	4.3
131.07001	8.9
146.06071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0872
Annotation	Isoleucine
Peak:m/z	Relative Intensity
54.52402	0.4
58.02989	0.9
68.57238	0.5
69.03444	0.9
72.97932	0.5
73.99995	0.6
75.50661	0.5
85.02899	0.5
87.04524	8.8
88.04050	2.7
95.86599	0.5
130.08731	100.0
131.03464	1.1
131.09067	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	131.0349
Annotation	Glutaric acid
Peak:m/z	Relative Intensity
52.74934	0.4
55.69927	0.4
57.03450	0.5
59.01389	0.8
62.18483	0.4
63.92927	0.5
69.03456	9.8
70.02969	0.7
71.01372	1.2
72.24040	0.4
73.02946	0.9
83.43034	0.5
84.75536	0.5
85.02956	1.0
87.04513	100.0
88.04041	2.8
88.04858	3.3
90.86677	0.4
113.02466	8.5
114.01977	0.9
117.82365	0.5
131.03508	17.3
132.03044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0348
Annotation	Glutaric acid
Peak:m/z	Relative Intensity
50.62255	0.3
51.15375	0.3
59.01373	1.4
66.79625	0.3
67.77061	0.4
69.03455	9.0
70.02979	0.5
71.01374	0.8
81.41914	0.3
87.04506	100.0
88.04037	3.3
88.04843	3.2
88.05364	0.3
100.06413	0.4
113.02438	9.0
113.03577	0.5
114.01966	2.0
115.00341	0.6
130.97449	0.3
131.03496	20.6
131.04489	0.8
132.03011	1.4
132.03888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
53.33311	0.4
53.65501	0.4
55.51517	0.4
58.08596	0.5
59.01393	0.5
67.31212	0.5
71.01382	60.4
72.01715	0.7
72.99311	14.5
76.31617	0.5
85.14587	0.5
87.00861	0.9
89.02431	8.0
90.36549	0.5
115.00369	100.0
116.00710	3.0
133.01427	29.8
146.78377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0295
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
56.86201	1.5
57.03450	7.5
59.01377	2.5
62.64914	1.6
66.78439	1.6
69.03449	3.6
71.01374	14.5
73.02931	11.7
77.03970	14.6
77.19259	1.6
87.04512	26.2
87.93328	1.7
89.03931	3.9
92.11749	3.5
95.05005	21.5
95.65462	1.6
99.27190	1.8
105.03445	54.7
115.00362	17.4
123.04480	3.4
125.88643	1.8
132.02187	17.6
133.01399	4.1
133.02946	100.0
133.05037	27.5
134.03259	4.0
134.04680	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	15.5
58.03742	1.3
59.01386	15.9
65.00317	1.4
69.03452	2.2
71.01382	33.7
72.99316	3.6
73.02630	1.5
73.02951	20.6
77.03963	18.6
84.21558	1.5
85.02939	2.6
87.04510	37.4
88.43002	1.7
89.02425	2.4
89.03957	6.5
95.05032	27.1
96.96972	3.5
104.52113	1.4
105.03459	63.8
106.03794	2.5
107.03632	7.5
115.00357	37.2
123.04536	3.8
127.65814	1.7
132.02179	30.3
132.86792	10.0
132.90050	1.7
133.01395	10.7
133.02954	100.0
133.05052	36.6
134.03264	2.3
134.04720	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0294
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
57.03443	9.2
59.01390	12.3
60.61289	1.1
65.00346	1.9
69.03465	1.9
69.36943	1.4
71.01390	25.2
72.99306	6.6
73.02946	20.6
76.57291	1.2
77.03974	19.5
85.02905	1.4
87.04514	34.8
89.03978	6.2
89.69943	1.4
95.05029	30.1
96.96956	3.0
97.02909	1.6
105.03456	64.4
106.03805	1.6
107.03632	3.4
115.00361	30.0
123.04487	6.2
129.21231	1.6
132.02150	20.8
132.86771	5.7
133.01376	8.6
133.02948	100.0
133.05055	36.7
134.03275	1.9
134.04713	25.0
152.10268	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	134.0472
Annotation	Adenine
Peak:m/z	Relative Intensity
54.52509	0.3
59.64761	0.2
65.01446	0.4
68.02514	0.3
85.86356	0.2
92.02533	6.0
107.03635	23.3
116.00668	0.4
118.81135	0.2
134.04726	100.0
135.03096	1.2
135.05173	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	134.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18064	0.5
59.01360	0.5
74.69357	0.6
75.00872	0.7
92.02551	5.3
96.96959	0.8
99.92567	3.7
107.03640	22.9
107.05039	3.0
116.00724	0.9
126.15688	0.6
134.04730	100.0
134.86548	2.6
134.89476	77.2
135.03026	0.7
135.04367	5.3
147.80969	0.6
154.50859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0451
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
59.01374	6.3
59.38539	1.3
69.71536	1.3
76.45448	1.4
91.05524	100.0
92.05867	1.6
92.12434	3.0
93.03450	1.6
93.80523	1.5
107.05016	9.1
110.95562	1.3
128.22945	1.5
134.86565	5.1
134.89445	2.9
135.04498	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	3'-Hydroxyacetophenone
Peak:m/z	Relative Intensity
52.18208	0.2
58.48027	0.2
59.01371	1.1
60.47564	0.2
71.01381	0.2
75.00877	0.3
85.02950	0.3
87.96468	0.2
92.02648	1.0
92.05054	0.9
93.03450	23.3
94.03778	0.3
95.01371	2.4
99.00867	0.3
99.52541	0.2
99.92559	0.3
107.05027	1.7
108.02175	15.8
109.02451	0.3
120.02194	0.2
134.86574	0.4
134.89464	4.1
134.90388	0.2
135.04521	100.0
135.89449	0.3
136.00652	0.4
136.01663	9.3
136.03981	0.4
136.04869	4.6
138.41130	0.2
154.71132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0165
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
56.09637	2.1
59.01784	1.9
64.88835	1.9
92.05037	4.8
93.02899	3.8
93.03448	91.9
94.03786	13.1
95.01364	4.7
99.35603	2.2
100.29165	2.1
103.95021	2.4
108.02171	74.0
135.89497	2.8
136.00635	4.8
136.01651	100.0
136.03987	5.0
136.04866	59.1
136.89156	13.7
137.02484	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
62.46896	0.1
65.03964	0.3
89.28864	0.1
91.05866	0.2
92.12413	0.2
93.03446	100.0
94.03781	4.4
101.20672	0.2
136.89204	0.2
137.02432	14.0
138.02780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82903	0.2
57.76140	0.2
65.03974	0.4
72.53714	0.2
75.83775	0.2
81.03461	0.5
82.97584	0.2
87.73989	0.2
93.03450	100.0
94.03785	5.0
94.98092	0.2
108.02169	1.0
109.02955	1.0
118.85515	0.2
136.01666	1.3
136.86244	0.4
136.89168	0.5
137.02440	33.6
138.02820	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01887	0.2
56.87439	0.2
59.01389	0.3
62.68503	0.2
66.03490	0.9
67.01898	0.3
74.88203	0.2
79.95741	1.3
88.18033	0.2
93.03456	0.5
94.02966	0.3
94.03793	1.5
94.98096	1.1
95.01411	0.3
95.05038	0.3
101.00610	0.2
108.02177	45.1
109.02517	1.7
111.00882	0.3
124.01674	0.4
138.01970	100.0
138.05585	1.2
139.00491	0.3
139.02318	4.0
139.03979	1.6
139.05002	0.2
147.36964	0.2
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
54.73756	1.2
67.01893	11.7
68.99812	7.3
92.05058	14.1
94.02984	66.0
94.03814	2.3
95.01370	7.9
107.73822	1.3
108.04550	53.0
109.04893	4.6
111.00790	1.3
116.16064	1.5
120.04532	13.0
122.02419	4.3
123.03310	1.6
135.22153	1.2
136.04010	1.7
137.89211	1.7
138.01971	17.5
138.05600	100.0
139.03995	6.9
139.05907	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	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
56.90998	0.1
57.03461	0.2
57.23701	0.1
61.98844	1.0
64.71310	0.1
65.87051	0.1
66.26663	0.1
73.02943	0.1
74.83936	0.1
83.05018	0.3
85.02937	0.3
87.00834	0.2
99.08150	4.3
101.02438	0.1
101.06038	0.2
116.05067	1.5
117.03439	0.2
117.45828	0.1
126.03475	0.6
142.02957	0.2
144.04547	100.0
145.04907	7.4
145.08690	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	144.0454
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
50.69393	0.2
50.98782	0.2
54.21198	0.2
60.80993	0.2
69.66785	0.2
71.11389	0.2
73.75377	0.2
79.73513	0.2
83.52074	0.2
92.11707	1.1
97.99081	0.2
116.05045	1.4
122.53916	0.3
126.03519	0.4
144.04547	100.0
145.04897	6.9
148.92404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1031
Annotation	(R)-2-Aminoheptanoic acid
Peak:m/z	Relative Intensity
55.01881	0.9
57.03462	10.7
58.03776	1.4
58.91866	0.9
59.01371	4.5
61.98833	45.1
69.03454	1.2
71.01367	6.9
71.05017	1.3
72.01685	1.3
73.02937	12.4
78.07597	1.0
81.03443	1.4
82.02972	1.6
83.05018	6.0
85.02946	17.6
86.03306	2.0
86.43214	0.9
87.00867	5.1
89.15042	1.0
97.96741	1.1
99.04474	2.1
99.08147	2.5
99.92540	1.3
101.02453	2.0
101.06062	7.7
101.07161	1.1
114.02733	2.2
115.92048	1.2
117.03426	4.8
126.01915	1.3
127.04060	1.6
127.05092	1.9
143.69029	1.1
144.02026	4.3
144.04568	53.1
144.06647	7.1
144.10300	100.0
144.86943	1.4
145.03015	1.4
145.03992	1.8
145.04984	11.2
145.06210	4.7
145.08742	4.2
145.10672	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	144.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03465	15.7
58.03790	1.8
59.01396	4.0
61.98841	29.7
69.03477	1.0
71.01376	4.5
71.05008	0.9
72.01740	1.0
73.02954	11.0
73.03278	1.1
81.03439	2.6
82.02976	2.3
83.05024	16.3
84.04568	1.8
85.02956	18.3
86.03294	2.4
87.00855	2.6
87.87559	1.0
99.04506	1.5
99.08138	5.6
99.92553	1.4
101.02435	1.4
101.06092	19.8
109.04082	1.9
112.01202	1.2
114.02760	2.6
117.03477	2.1
117.48502	1.1
127.04017	1.1
127.05231	1.9
128.03522	1.1
136.01077	1.0
137.81429	1.1
144.02031	5.7
144.04587	51.7
144.06578	8.8
144.10312	100.0
145.03006	1.7
145.04031	3.9
145.05043	13.9
145.06117	3.3
145.08711	2.3
145.10669	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	145.0872
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
56.44997	0.3
57.03459	1.2
57.42235	0.2
59.01387	0.5
71.01392	0.4
71.05000	0.3
72.56557	0.3
72.99296	0.3
73.02956	1.1
74.02472	1.0
81.03463	0.4
82.06091	0.3
83.05027	1.0
85.02966	2.6
87.00890	0.3
92.12378	0.5
95.00916	0.2
97.06613	2.0
99.08154	100.0
100.08501	5.0
101.06073	1.6
102.05603	4.6
111.15820	0.3
117.03441	1.2
117.81097	0.3
118.03003	0.6
118.55725	0.2
119.42381	0.2
127.07635	2.9
128.03500	2.1
143.07132	1.3
145.03052	0.5
145.05020	3.5
145.08708	60.0
146.02525	1.1
146.04599	1.0
146.09076	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
54.82552	0.5
56.60379	0.4
57.03458	6.9
59.01394	2.6
59.21923	0.4
62.97347	0.4
66.71668	0.4
71.01398	0.9
73.02953	2.7
74.02448	0.6
82.21648	0.5
83.05022	2.1
85.02961	5.1
87.00858	0.9
97.06593	0.8
99.08154	100.0
100.08495	3.9
101.02399	0.5
101.06081	3.1
102.03496	2.7
102.05599	8.5
117.03482	1.7
118.02985	2.4
127.07635	6.6
128.03523	3.9
128.07993	0.5
145.02968	0.9
145.05040	3.2
145.08713	73.1
146.02481	4.7
146.04608	3.4
146.09058	4.4
149.82628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0458
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
52.69307	0.3
55.75789	0.3
56.56746	0.3
58.73237	0.4
61.47085	0.3
67.73883	0.3
74.02470	0.5
84.04518	0.6
85.02950	0.7
91.71528	0.3
102.05600	100.0
103.02962	0.4
103.05923	2.8
128.03526	42.3
129.03885	1.8
146.04596	25.7
146.74533	0.4
147.04955	0.7
151.48112	0.4
159.11757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0612
Annotation	3-Methyloxindole
Peak:m/z	Relative Intensity
50.68995	0.9
51.63832	0.8
59.01371	6.4
61.98827	12.4
71.01378	2.0
85.02941	1.6
91.77901	1.1
102.05586	6.8
114.61131	1.1
116.05013	1.8
118.02985	1.7
128.03494	2.1
131.03763	34.6
132.04059	1.7
144.04549	18.1
146.02457	1.8
146.06114	100.0
147.06514	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	147.0298
Annotation	(R)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
57.03451	34.7
59.01386	7.4
71.05006	3.5
73.02924	4.0
74.02860	0.9
79.68359	0.8
85.02942	95.9
86.03265	2.1
87.00864	62.8
101.02425	27.8
101.06070	5.0
103.04001	33.1
103.04514	0.8
103.05933	4.1
129.01921	100.0
130.02269	4.5
147.02991	54.2
147.06618	6.5
148.03343	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	(S)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
51.84703	0.3
57.03457	29.7
58.03796	0.6
59.01383	2.7
65.25932	0.3
71.01389	0.3
71.05045	0.5
73.02956	1.9
75.00899	0.5
83.01418	0.4
83.70116	0.3
85.02951	54.2
86.03290	1.7
87.00877	10.4
88.01218	0.4
100.04057	1.5
101.02440	28.8
102.02808	0.8
103.04008	30.8
103.05943	1.6
104.04377	0.7
117.01925	0.4
129.01944	100.0
130.02257	4.0
136.95430	0.3
147.03006	25.5
147.06683	1.3
148.03331	1.2
148.04407	2.2
150.62311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
59.01372	9.5
60.91529	1.9
61.98830	38.1
71.01366	2.8
83.70477	2.1
119.05010	4.1
147.04521	100.0
148.04906	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.87854	2.2
53.88003	2.2
54.90900	1.9
59.01389	20.3
61.98832	100.0
62.34978	2.0
70.02956	2.9
71.01376	2.1
72.99302	2.7
75.00867	2.7
76.56776	2.3
79.69495	2.1
85.02928	3.4
87.00837	3.2
92.12408	5.4
119.05027	4.8
120.06644	3.2
147.04515	79.1
148.04985	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	147.0452
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
53.46347	3.8
55.01892	7.4
57.03456	10.4
59.01392	59.8
59.78026	3.9
60.72398	3.7
61.98837	100.0
67.11669	4.2
71.01381	24.9
71.05036	7.4
72.99295	5.7
75.00849	10.7
80.13277	4.0
85.02955	23.4
87.00865	10.1
89.02447	5.2
99.00880	19.8
101.02454	7.7
102.05605	6.3
103.05959	23.8
119.05079	5.9
120.06636	8.2
129.01958	22.7
129.03868	4.5
147.01926	4.6
147.02983	9.6
147.04533	48.1
147.06656	23.3
148.04047	8.3
149.49886	4.6
157.16133	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	147.0663
Annotation	Tyvelose
Peak:m/z	Relative Intensity
54.82654	0.8
55.01874	1.8
55.45094	0.7
57.03192	1.2
57.03454	26.6
57.33310	0.8
59.01112	0.9
59.01387	19.3
63.56346	0.8
65.87106	0.8
67.05535	9.1
70.03004	0.9
71.01376	8.9
71.05020	32.3
72.99303	1.5
73.02940	3.9
73.06580	7.7
75.00855	1.7
75.68475	0.8
83.01440	1.1
83.05029	9.6
85.02948	40.5
85.03468	1.5
86.03263	1.0
87.00867	37.6
87.04500	10.2
91.89825	0.9
99.00895	0.9
99.04527	2.2
101.02438	6.5
101.06068	100.0
102.06416	2.2
103.04008	8.6
103.05923	3.6
127.03967	1.1
129.01939	25.2
129.03964	1.3
129.05574	21.7
145.05070	6.3
147.03012	21.0
147.06633	88.8
147.78790	0.8
148.04164	1.0
148.07069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0454
Annotation	beta-L-Arabinopyranose
Peak:m/z	Relative Intensity
54.42344	0.9
55.01866	1.9
57.03449	2.2
58.00582	1.6
59.01386	65.3
69.03437	2.3
71.01380	38.7
72.99300	6.5
73.02948	25.9
75.00518	1.2
75.00881	21.0
83.01393	1.4
85.02949	7.2
87.00845	9.1
89.02435	77.1
90.02759	1.4
96.28044	1.0
101.02427	2.3
103.04012	14.3
107.38281	1.3
111.83447	1.0
126.79004	1.2
129.01993	1.2
131.03482	22.5
145.29062	1.1
149.04547	100.0
150.04863	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	151.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	4.1
53.00308	0.6
55.01898	1.0
57.80628	0.4
58.46547	0.5
59.01389	100.0
60.01736	0.7
60.02450	0.5
62.77583	0.4
66.03499	0.9
67.01893	13.0
68.99831	3.3
69.03467	7.3
71.01380	7.7
72.79729	0.5
72.99312	0.6
73.02948	0.7
78.98594	0.5
79.01899	7.0
80.02677	1.6
81.03456	15.6
85.02994	0.5
89.02463	3.1
89.17014	0.5
92.12430	0.6
95.01391	40.6
96.01733	0.7
97.02951	4.6
101.02486	3.5
107.01398	9.7
107.05047	4.6
108.02185	18.7
108.04587	2.3
109.02991	1.0
123.00887	31.3
123.01778	1.0
123.04561	0.6
124.01170	1.4
125.02441	50.6
126.02791	2.6
133.02940	1.0
136.01671	12.0
151.00395	8.5
151.01366	0.6
151.04024	15.7
151.06178	2.1
152.01160	11.5
152.04514	0.5
153.94054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	Vanillin
Peak:m/z	Relative Intensity
59.01150	0.2
59.01383	3.2
62.85041	0.3
69.03415	0.3
92.02643	0.4
95.01379	0.4
108.02169	6.6
136.01649	100.0
137.01981	5.4
151.04008	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	151.04
Annotation	3-Cresotinic acid
Peak:m/z	Relative Intensity
54.32604	0.5
57.14526	0.6
57.55631	0.8
58.45424	0.7
59.01391	52.5
60.80608	0.6
60.81424	0.6
65.16839	0.6
66.03493	3.0
71.01366	3.7
79.05530	1.1
85.02921	0.7
89.02433	2.7
89.02956	0.7
93.03461	5.2
95.05001	3.4
96.09500	0.7
99.93642	0.9
101.02415	1.5
106.04225	5.4
107.05028	100.0
108.02161	1.5
108.04548	6.9
108.05360	5.5
109.02980	0.8
110.44239	0.6
119.16949	0.8
119.53925	0.7
121.02961	1.3
123.04504	10.2
123.06759	0.7
133.79269	0.7
136.01682	5.9
151.02821	1.4
151.04005	31.3
151.06038	1.5
152.04393	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	151.0612
Annotation	Xylitol
Peak:m/z	Relative Intensity
55.01888	0.5
59.01385	100.0
60.01717	0.7
64.32275	0.4
71.01381	8.5
73.02953	1.9
78.98585	0.7
83.01414	0.4
85.48746	0.3
87.00884	0.4
89.02449	6.2
89.57639	0.4
92.12377	0.5
101.02440	4.3
119.03597	0.4
123.94567	0.4
151.02698	0.5
151.06136	4.4
151.88139	0.4
152.06483	0.4
162.15799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0116
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
59.01396	33.0
60.01732	10.8
60.02692	2.1
63.14857	2.2
66.03492	16.9
67.01905	2.3
71.01373	2.3
80.02671	9.9
80.96538	2.6
81.03510	4.0
84.25085	2.5
89.02448	10.2
96.01715	5.2
108.02183	79.7
108.04533	5.8
109.02332	4.3
109.02969	100.0
124.01197	5.9
125.02451	3.8
126.02785	15.7
129.83359	2.3
136.60918	2.5
137.02036	3.6
152.01163	57.0
152.03308	2.8
152.04425	4.4
153.01927	25.8
153.05602	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	153.0193
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
51.03569	0.3
53.60606	0.3
60.68126	0.4
60.88433	0.4
65.03965	20.0
67.01892	8.4
70.16716	0.4
91.01882	6.5
92.12318	0.5
109.02946	100.0
110.03296	4.9
114.06786	0.4
124.62655	0.4
132.22672	0.4
132.66368	0.4
135.00882	30.5
136.01190	1.0
148.06392	0.4
151.62651	0.4
153.01933	75.6
154.02272	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	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
59.01387	77.2
60.01723	2.1
61.01802	0.9
61.98830	2.0
71.01379	0.9
73.06437	0.5
73.40852	0.5
75.00873	8.0
78.95903	1.0
83.39825	0.4
85.02937	2.0
85.06615	0.5
94.77706	0.5
95.04977	0.5
96.96006	13.6
96.96957	3.4
99.00871	0.6
100.01064	0.5
102.42013	0.5
111.08153	1.0
113.06089	100.0
113.09710	1.2
114.06405	5.1
114.93417	0.6
115.00366	1.8
127.00380	0.9
128.05028	2.4
130.06598	3.9
135.95703	0.5
156.89476	5.9
157.05069	11.6
157.08713	12.1
157.09917	0.8
157.12331	7.1
158.06241	4.9
158.08154	1.1
168.96788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.087
Annotation	2-n-Propyl-4-oxopentanoic acid
Peak:m/z	Relative Intensity
55.01863	1.3
56.87901	1.0
57.03459	100.0
58.03771	1.6
59.01390	72.8
60.01727	1.2
66.99513	1.1
69.03432	1.3
75.00859	5.9
85.02937	1.9
85.06570	8.2
90.18088	1.2
92.12319	2.2
95.05026	2.1
96.08641	1.1
97.06562	2.3
99.08145	6.4
102.70609	1.2
111.08143	8.3
111.35259	1.4
113.09725	65.0
115.00362	1.6
127.00428	1.5
129.09189	5.2
156.89438	2.9
157.08705	72.1
157.12335	7.8
158.06073	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1233
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
51.17178	0.3
59.01387	100.0
60.01707	2.9
61.01806	0.7
61.98833	0.6
63.89467	0.3
68.99837	0.4
71.01395	0.8
75.00867	10.8
84.99336	0.5
85.02950	1.6
86.02493	0.5
87.00896	0.4
96.95985	2.9
97.85463	0.4
99.00872	1.4
111.08173	0.5
113.09704	0.8
114.93359	0.4
115.00378	2.1
115.05903	0.7
116.07179	0.5
127.00363	1.0
156.89467	1.9
157.05112	0.4
157.08717	7.3
157.12335	57.0
158.04715	0.5
158.06088	0.5
158.08128	0.7
158.09219	0.6
158.12685	3.7
176.55225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.061
Annotation	Indole-3-acetaldehyde
Peak:m/z	Relative Intensity
59.01381	3.3
64.38437	0.5
71.01375	0.9
73.02942	3.0
76.22098	0.4
87.00895	0.5
97.06566	0.5
99.92585	5.3
111.00846	0.7
114.09183	1.1
114.94933	4.5
115.07601	0.5
116.07164	29.8
116.92846	17.6
128.05051	54.8
129.01917	0.8
129.05443	2.6
130.06610	71.8
131.06960	5.4
146.06120	8.5
147.06453	0.8
156.04555	3.7
158.06107	100.0
158.08224	4.9
158.89301	2.4
158.93880	2.7
159.02985	2.0
159.06462	7.8
161.04845	2.1
172.04016	9.5
173.04446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	16.8
58.00614	1.1
58.02981	100.0
59.01107	2.3
59.01382	41.0
64.33829	1.1
69.03449	1.5
71.01381	26.8
71.05003	2.3
72.04551	2.1
72.99306	2.6
73.02942	21.5
73.77065	1.1
74.02470	20.4
75.00819	1.4
81.03429	2.8
83.01389	13.8
84.04538	22.5
84.18664	1.3
85.02941	40.6
85.75196	1.2
86.06107	1.9
87.00852	2.8
88.04029	97.6
89.02446	11.1
89.02903	1.2
89.04371	2.3
95.01351	1.2
97.02924	1.4
98.02463	13.4
98.03191	2.1
98.06108	12.9
99.00870	1.4
99.04485	6.5
99.72993	1.2
101.02441	13.9
112.03972	2.0
113.02429	8.1
114.05580	17.7
116.03525	5.4
118.05087	23.4
128.03491	5.3
130.05078	26.3
131.03482	21.3
142.05109	11.1
143.03506	1.5
143.41689	1.4
157.48860	1.3
159.39014	1.3
160.03276	1.9
160.06143	69.7
160.89194	3.1
161.04579	13.0
161.06474	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14233	0.2
61.51979	0.3
69.67237	0.3
75.57986	0.2
82.26544	0.2
93.03448	1.1
112.46728	0.3
117.03574	0.3
119.05014	100.0
120.04523	0.5
120.05330	5.8
149.62143	0.3
163.04016	7.4
164.04407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0611
Annotation	beta-L-Fucopyranose
Peak:m/z	Relative Intensity
54.08037	0.7
57.03454	1.1
59.01376	3.3
60.56416	0.7
71.01369	11.4
71.05025	1.0
72.99288	1.7
73.02942	100.0
74.03264	1.0
75.16734	1.0
76.91207	0.7
81.03444	9.2
83.01382	6.9
83.05008	4.6
85.02980	0.8
87.00861	0.8
87.04504	3.2
89.02428	4.2
99.04503	17.5
101.02431	5.7
106.57787	0.8
117.05534	1.4
119.03479	1.3
128.03516	1.1
143.03503	1.9
143.43117	0.8
145.05061	29.6
154.11015	0.8
163.06111	54.2
164.06453	3.2
171.10194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27850	0.3
53.15665	0.2
55.01885	0.4
57.03456	1.5
59.01389	1.6
66.77391	0.3
71.01377	11.3
71.05031	2.9
72.99290	2.4
73.02943	100.0
74.03279	2.5
75.00880	0.6
81.03450	11.4
81.03930	0.4
83.01380	7.6
83.01839	0.5
83.05028	4.9
84.02174	0.5
87.00893	1.2
87.04506	3.1
89.02448	0.6
92.74101	0.3
99.04510	20.4
100.04845	0.4
101.02438	3.0
109.02933	0.7
117.05545	0.7
119.05007	0.7
128.03529	1.4
140.85374	0.3
143.03474	2.5
145.05064	33.8
145.89064	0.4
146.05396	1.7
162.89342	10.0
162.90625	0.6
163.06116	49.7
164.06442	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	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65469	19.2
86.49522	19.5
92.86058	17.9
106.98918	20.0
119.05018	34.0
163.11249	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	164.0354
Annotation	6-Methoxybenzoxazolin-2(3H)-one
Peak:m/z	Relative Intensity
50.36834	0.1
60.21725	0.1
63.79418	0.1
64.00626	0.1
65.99879	0.3
67.44755	0.1
70.54504	0.1
77.03992	0.3
84.12116	0.1
84.81245	0.1
92.01425	0.1
92.11676	0.2
118.68227	0.1
120.00914	1.6
120.04499	0.2
121.01698	5.6
121.02958	8.3
136.00407	1.8
147.04599	0.2
147.98917	0.1
149.01181	100.0
150.01553	5.2
153.00661	0.2
164.03529	6.5
164.89514	0.2
165.01897	0.6
165.03955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.53998	0.6
59.97883	0.6
60.03131	0.6
72.00907	35.8
75.47034	0.7
81.39330	0.9
91.05526	4.0
121.02932	2.9
147.04526	100.0
148.04839	7.9
157.10764	0.8
164.07164	48.9
165.07532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0403
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
53.63198	0.6
55.01888	0.9
55.98913	0.5
57.03450	1.5
59.01387	13.1
68.13194	0.5
71.01389	5.6
72.99306	8.3
75.00871	100.0
76.01197	0.6
83.01375	0.9
85.02945	2.8
87.00874	6.3
89.02441	3.4
98.15187	0.5
99.00859	4.2
101.02409	0.7
105.01921	1.3
105.26661	0.6
117.01903	1.0
121.02933	0.9
125.38174	0.7
129.01933	14.8
132.96706	0.6
147.03001	7.9
165.04034	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
50.56239	0.4
59.01388	11.8
60.01707	0.5
66.03497	0.5
72.99312	3.9
77.03954	7.0
78.04327	0.5
93.03456	8.2
97.78957	0.5
108.04523	0.5
119.05021	5.8
121.02947	100.0
121.06564	7.0
122.03262	6.5
122.06106	0.8
147.04521	10.7
148.04945	0.6
149.84315	0.5
150.03166	1.7
160.81331	0.5
164.89568	1.0
165.01921	6.4
165.05553	31.7
166.05940	2.0
178.62677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0348
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
54.95271	0.4
61.87766	0.4
65.00330	0.6
70.99509	0.4
80.02666	2.2
80.05002	0.4
88.61216	0.4
90.25868	0.4
91.01886	7.8
108.02168	56.2
109.02506	2.0
111.00866	0.7
120.32393	0.5
123.04507	22.0
124.01602	0.6
124.04802	1.7
152.01149	100.0
153.01494	6.1
167.03491	23.9
167.06088	0.8
168.03748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62886	0.3
52.95123	0.2
53.46300	0.2
59.01371	0.4
65.00323	0.4
65.99837	0.7
66.17632	0.2
69.03439	0.5
71.01377	1.7
80.14223	0.2
80.37315	0.3
80.96503	0.5
81.03435	1.1
82.03008	0.3
83.02518	6.4
96.04564	0.3
97.02965	0.4
107.05022	0.4
108.04561	2.6
110.00076	0.4
123.04493	0.4
124.07668	0.4
125.02429	1.6
125.06080	0.6
126.03084	100.0
127.02616	0.3
127.03505	2.4
150.05603	0.3
168.04189	3.4
168.06621	0.5
168.83615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32158	1.3
52.37228	1.4
58.02983	100.0
82.95404	2.7
103.94395	1.7
130.09915	1.6
168.13972	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	171.0664
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
54.82500	1.6
59.01379	7.0
61.98828	7.3
73.02943	7.7
76.95753	2.1
82.86012	1.5
83.01339	1.5
85.02917	2.6
89.02441	26.3
95.31803	2.2
99.00859	2.5
106.45816	1.9
109.06589	8.7
125.09702	2.4
127.07644	68.9
127.11260	3.8
134.86548	10.2
136.86270	8.9
153.09192	2.4
171.06630	22.7
171.10272	100.0
171.13954	6.5
171.83102	2.6
172.10619	3.4
184.84174	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	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
51.96328	1.2
54.43866	1.1
55.01880	2.0
57.03447	6.5
59.11431	1.4
69.03481	1.8
71.05013	23.9
83.05027	7.7
84.12624	1.4
97.06548	2.8
99.08153	100.0
100.08470	3.6
108.15488	1.6
125.09711	34.4
127.07616	1.8
127.11271	76.1
149.80376	1.6
153.09218	10.0
171.10266	58.6
172.10626	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	171.1026
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
52.92741	0.6
59.01387	0.9
59.64465	0.7
61.98825	1.3
64.49623	0.7
68.99552	1.1
71.25371	0.7
73.52236	0.8
76.95763	1.4
87.00865	0.8
89.02445	8.2
89.61189	0.7
93.41558	0.8
99.00845	1.2
101.85679	0.9
111.89390	0.7
112.98621	1.0
125.09701	5.3
127.07660	1.7
127.11263	7.6
134.86565	4.3
135.85115	0.8
136.86281	4.3
138.77936	0.9
153.09143	1.0
154.06151	0.7
171.10265	100.0
172.10593	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	171.1391
Annotation	8-methyl Nonanoic acid
Peak:m/z	Relative Intensity
59.01371	1.1
61.98826	2.9
65.35246	0.6
75.00840	0.7
88.05247	0.5
88.98783	1.2
89.02445	3.5
93.71434	0.6
96.96024	1.0
99.00819	0.8
99.08127	1.0
124.81274	0.7
125.09716	1.0
127.07622	4.7
127.11259	4.5
171.01959	1.1
171.08827	1.2
171.10289	35.4
171.13908	100.0
172.10611	2.6
172.14221	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	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36609	0.4
54.21335	0.5
55.43213	0.5
57.11404	0.4
58.02973	1.2
59.01375	1.1
81.80117	0.5
85.02948	2.7
88.04012	0.6
92.11774	0.7
98.14920	0.6
99.08154	0.6
111.00880	2.3
111.08147	1.1
128.07982	0.6
128.10815	7.1
130.08723	100.0
131.09062	5.0
142.41396	0.6
144.04559	0.9
154.94655	0.6
161.10870	0.6
172.04004	1.2
172.09750	16.6
172.11020	0.7
172.83080	0.8
173.08261	1.2
173.10143	1.2
176.70438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02990	1.2
59.01382	4.3
64.34949	0.4
70.34132	0.3
72.99287	0.5
78.95856	0.4
79.27724	0.4
82.06638	0.5
83.05021	0.6
85.02949	5.5
85.06582	0.7
92.66132	0.4
111.00856	4.3
111.04510	0.5
111.08147	2.3
113.06104	0.5
115.44360	0.3
128.10799	2.3
129.01949	0.6
129.05608	0.5
130.08733	100.0
131.07162	3.6
131.08098	0.5
131.09087	4.6
137.50755	0.3
140.68353	0.4
141.48709	0.4
144.04539	0.8
148.09952	0.4
149.63327	0.3
172.09697	12.6
172.83119	1.7
173.08229	1.4
173.10185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86241	0.5
55.47594	0.5
58.02970	1.1
59.01385	1.4
72.99283	0.5
76.57484	0.6
81.93649	0.6
85.02947	7.0
87.92254	0.5
93.06617	0.6
111.00876	6.9
111.08141	3.0
128.10788	6.7
129.01855	0.7
130.08727	100.0
131.09053	4.0
137.85396	0.6
144.04602	0.9
145.03110	0.6
145.09576	0.7
162.20917	0.5
172.09735	18.9
172.83066	2.2
173.08131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78284	0.5
57.03466	3.7
59.01374	0.9
59.45194	0.4
64.46319	0.5
67.01892	5.4
71.53782	0.5
72.99320	0.7
77.38631	0.4
81.31043	0.5
83.01375	0.8
83.05001	0.5
85.02946	100.0
86.03271	2.5
88.04028	0.5
92.37867	0.5
93.39806	0.5
96.23651	0.4
99.00859	1.0
101.02417	3.6
102.05587	4.4
103.55926	0.4
103.74432	0.4
111.00868	71.6
111.04467	0.6
112.01205	3.1
129.01921	13.9
129.05602	0.6
130.02292	0.7
137.43933	0.5
154.99863	3.1
173.00955	2.8
173.04599	0.6
173.08003	0.5
178.17395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
58.02972	0.5
58.78949	0.3
59.01379	0.5
67.01901	0.8
74.17374	0.4
83.22900	0.4
85.02950	100.0
85.99191	0.4
86.03282	2.6
88.04025	0.5
101.60439	0.4
102.05600	1.6
111.00876	14.5
122.68772	0.4
123.62834	0.4
129.01929	16.3
129.05515	0.5
130.02275	0.6
131.56053	0.3
169.76089	0.4
173.00954	1.6
179.98311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0089
Annotation	Aconitic acid
Peak:m/z	Relative Intensity
67.01837	0.4
81.40514	0.4
82.84652	0.3
85.02944	100.0
86.03271	2.2
92.12399	0.5
92.32071	0.4
102.05600	2.0
111.00866	9.4
129.01920	15.0
129.05652	0.5
173.00917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	Shikimate
Peak:m/z	Relative Intensity
57.03452	36.2
59.01385	55.7
60.01722	0.5
69.03456	0.6
69.87206	0.5
71.01379	5.9
71.05006	2.3
72.99294	2.6
73.02921	0.9
83.05025	5.1
85.02945	100.0
85.06583	30.3
86.03300	3.9
87.00797	0.5
87.07573	0.5
93.03426	1.0
96.96948	0.8
101.02433	1.0
102.05575	2.2
111.00869	13.3
111.04511	20.3
111.08141	5.6
113.02384	0.7
118.02944	0.5
125.06089	1.0
127.04042	1.1
127.07648	1.9
128.07152	0.5
129.01926	13.6
129.05566	59.2
129.09200	3.7
130.05884	2.2
131.08238	1.9
146.02531	1.1
154.94691	0.6
155.03484	10.5
155.07149	6.3
170.91188	0.5
173.00998	0.6
173.04561	17.0
173.08182	33.4
174.08636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.082
Annotation	Suberic acid
Peak:m/z	Relative Intensity
52.51273	0.5
56.37105	0.4
57.03195	0.8
57.03456	20.2
59.01390	4.1
59.87307	0.5
60.43666	0.5
61.98848	1.7
69.03452	0.8
71.05016	0.5
72.99321	0.6
73.02959	0.5
74.90661	0.5
78.95911	0.7
81.03378	0.5
83.01395	0.6
83.05042	1.9
84.02181	0.6
85.02962	29.1
85.03478	1.2
87.04527	0.7
96.95997	0.8
96.96978	0.8
99.08157	1.1
99.92575	0.5
102.05673	0.5
109.06588	2.5
111.00869	5.1
111.04502	3.2
111.08151	11.2
117.83589	0.6
125.06097	4.1
127.07654	8.7
129.01947	4.2
129.05583	1.3
129.09184	4.9
130.06598	2.2
131.08281	1.2
136.86378	0.7
147.05659	0.7
155.03433	0.8
155.07164	4.9
171.06688	2.0
172.83080	5.6
173.04649	2.1
173.08189	100.0
174.05588	0.7
174.08601	6.0
176.44565	0.5
194.47388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0561
Annotation	3-Indoleacetic acid
Peak:m/z	Relative Intensity
54.82692	0.2
59.01410	0.2
61.07232	0.1
64.08065	0.1
66.24821	0.1
66.30977	0.1
67.49604	0.2
67.80149	0.2
69.54166	0.2
71.87236	0.2
75.38723	0.1
78.95887	0.2
105.79198	0.2
117.24635	0.2
120.32912	0.2
128.05066	17.0
129.05380	1.2
129.56792	0.2
130.06622	100.0
131.06967	7.5
146.06050	0.3
164.11606	0.2
164.76428	0.2
172.04059	2.1
174.05646	2.8
175.05991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0352
Annotation	Isalexin
Peak:m/z	Relative Intensity
59.01111	1.0
59.01391	27.8
59.39767	0.4
60.53555	0.6
61.27987	0.5
65.34636	0.5
71.01374	0.8
78.95909	1.2
79.37097	0.5
84.04537	1.4
89.02428	0.6
90.03489	27.3
91.01893	1.4
96.71552	0.5
105.03451	0.7
106.00602	0.8
108.04559	0.7
114.15424	0.7
116.92854	0.9
132.04547	8.7
133.02931	1.4
134.02478	40.6
135.02795	0.8
136.01686	0.8
176.03526	100.0
177.02100	0.7
177.03897	4.8
177.05412	1.3
185.68414	0.6
191.51703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0192
Annotation	5,7-Dihydroxycoumarin
Peak:m/z	Relative Intensity
52.28631	0.3
59.01112	0.6
59.01389	14.0
60.37236	0.3
65.00323	0.4
75.06735	0.4
77.03978	10.8
89.03974	2.2
92.66756	0.3
93.03445	0.6
95.05032	16.7
96.05398	0.5
105.03461	47.6
106.03804	2.8
121.02895	0.7
123.04515	4.4
127.03314	0.4
132.02177	2.3
133.02954	100.0
134.03256	5.9
137.16090	0.4
177.01918	0.6
177.05527	0.7
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	Esculetin
Peak:m/z	Relative Intensity
50.83222	0.3
59.01385	20.6
63.63785	0.2
71.01373	0.3
76.57362	0.3
77.03963	0.6
81.03451	3.3
89.03967	11.5
89.04532	0.4
90.04293	0.7
93.03471	2.2
95.05006	1.7
105.03451	20.5
106.03795	1.3
109.02964	0.5
111.40413	0.3
121.02944	2.0
123.82953	0.3
133.02946	34.7
134.03218	2.1
136.48450	0.3
139.04016	0.5
145.03017	0.4
145.39102	0.3
149.02438	5.2
177.01927	100.0
178.02264	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	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	27.1
60.01729	0.4
71.01367	0.6
77.03957	1.7
81.03448	3.3
83.39310	0.4
89.02343	0.4
89.03396	0.4
89.03958	10.0
93.03439	2.5
95.05009	3.1
96.73009	0.4
105.03448	21.2
106.03787	1.5
107.01385	0.8
117.01896	0.4
121.02922	0.8
123.04483	0.6
129.01961	0.4
133.02939	38.8
134.03261	2.8
135.02856	0.5
139.04001	0.7
145.03026	0.7
149.02444	5.3
162.03224	0.4
177.01929	100.0
177.03580	3.2
177.05429	2.2
178.02272	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	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49323	0.3
51.81584	0.2
59.01391	26.2
71.01381	0.4
77.03976	1.3
78.57272	0.3
78.67334	0.3
81.03461	2.6
89.02422	0.5
89.03975	9.3
90.04311	0.4
91.55106	0.4
93.03461	1.9
95.05011	2.1
105.03459	17.5
105.04180	0.8
106.03802	0.5
107.01414	0.3
117.03455	0.4
121.02932	2.2
133.02946	35.0
134.03304	2.1
139.04050	0.7
139.63283	0.3
141.86691	0.3
145.02968	0.5
149.02429	5.3
177.01932	100.0
177.05392	2.3
178.02246	8.1
193.68959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0404
Annotation	2-Dehydro-3-deoxy-D-gluconate
Peak:m/z	Relative Intensity
54.30249	0.3
57.03201	0.7
57.03460	15.6
59.01387	6.0
64.69408	0.3
69.03099	0.5
69.03455	11.5
71.01376	1.7
71.05022	7.2
72.99306	11.7
73.02956	1.5
79.27442	0.4
83.05024	0.5
85.02946	5.2
87.00878	6.0
87.04509	10.6
88.04839	0.4
89.02467	0.4
92.11746	0.5
97.02945	15.9
98.03290	0.4
113.02450	28.0
114.02756	0.7
115.04010	19.2
117.05588	0.6
131.03497	13.3
131.07106	0.8
133.05072	10.5
133.06023	0.3
141.01939	18.3
142.02335	0.3
159.02994	100.0
160.03314	5.3
177.04070	13.4
177.07658	7.4
178.04395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.0
71.01388	4.7
85.02965	0.4
89.02453	2.4
90.18170	0.3
91.06921	0.3
96.96013	0.9
101.02434	0.5
119.93736	0.4
134.96083	5.3
135.96220	0.5
136.94009	100.0
137.94072	8.2
140.27707	0.4
151.92728	15.5
152.92836	0.6
154.95129	0.6
178.95076	41.5
179.95143	4.3
196.96178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	L-Fructose
Peak:m/z	Relative Intensity
55.01864	1.3
57.03464	0.9
58.00589	3.5
59.01385	100.0
60.01716	1.3
63.11080	0.5
64.41174	0.6
71.01380	76.3
72.01711	0.9
72.99294	5.1
73.02928	2.4
75.00873	17.6
81.03445	1.1
83.01383	1.1
85.02946	7.3
87.00880	4.9
89.02438	37.4
90.02735	0.6
95.01356	2.6
99.00877	1.0
101.02425	8.2
113.02443	7.5
116.06464	0.7
119.03558	0.8
121.96065	0.7
143.03482	3.3
149.97427	0.6
153.09612	0.6
156.59697	0.5
161.04524	1.1
164.34743	0.6
167.97841	0.6
168.17050	0.6
179.05611	12.2
180.06688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
50.54956	0.5
57.03456	0.6
58.00595	4.4
59.01385	100.0
60.01714	0.7
60.84303	0.6
66.61954	0.6
71.01379	66.9
72.01704	1.4
72.99304	7.1
73.02931	2.7
75.00864	40.7
76.57639	0.7
83.01390	1.2
83.22250	0.6
85.02939	5.8
87.00871	5.1
89.02440	38.4
95.01390	1.4
97.02925	1.0
99.00842	3.7
99.04498	1.2
101.02437	5.6
109.12116	0.7
113.02451	6.5
115.55154	0.7
118.31056	0.7
119.03461	3.1
127.69421	0.6
131.03387	1.1
137.96642	0.7
143.03506	5.6
151.12338	0.7
161.04559	3.8
178.23730	0.7
179.05621	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0666
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
50.56292	1.1
59.01373	2.5
60.19980	1.0
70.96845	1.2
71.01379	1.4
72.00909	31.6
78.98580	6.1
83.96990	1.3
84.54744	1.1
93.03455	19.8
102.43812	1.0
106.04230	2.1
107.05064	1.3
119.05021	76.1
120.05350	2.6
156.00545	1.1
162.05629	1.8
163.04010	82.0
164.04276	2.2
166.73145	1.3
180.06667	100.0
181.07083	2.1
191.38385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
55.01872	0.3
57.03455	0.4
57.91234	0.2
59.01385	21.6
67.01887	1.2
68.38619	0.3
69.03452	0.3
70.12100	0.2
71.01377	9.1
72.99293	0.4
73.02934	2.2
79.81866	0.3
84.67013	0.3
85.02929	1.5
89.02436	5.7
93.03413	0.4
95.01379	1.8
97.02949	0.5
101.02429	6.1
109.02930	0.6
113.02454	0.7
115.04007	0.3
119.03470	0.4
121.05009	0.6
123.00863	22.3
124.01135	0.4
137.02429	0.6
137.06053	0.5
137.09669	0.4
151.00363	100.0
152.00694	6.7
155.44031	0.3
163.06194	0.6
165.01918	2.1
166.02704	89.9
167.03050	6.4
181.05063	15.9
181.07158	8.9
182.05434	0.7
203.57356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0459
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
54.33589	0.4
65.04771	0.5
67.01894	0.4
75.83523	0.5
92.05072	4.4
94.02968	1.1
108.04547	67.8
109.04884	2.0
110.06158	0.7
120.04508	5.6
122.02468	1.1
123.03279	0.9
134.06593	0.4
138.05595	100.0
139.05952	5.2
148.80179	0.4
168.89020	0.6
178.58861	0.5
182.04579	24.3
183.04939	0.9
191.88425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0616
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
51.55252	0.8
52.33823	0.9
52.52099	0.7
56.73328	0.7
56.86662	0.8
59.01388	62.2
67.01890	1.2
68.02229	1.3
69.03457	1.0
71.01392	11.1
78.95900	19.3
84.04548	12.1
92.12320	1.1
94.02966	5.2
95.04975	1.2
97.01667	5.6
97.06579	1.3
108.38469	0.8
108.92910	0.9
110.02471	1.9
110.98528	20.1
112.04040	100.0
113.02422	1.3
113.04378	4.0
122.06109	8.2
124.04030	75.3
125.02416	1.1
125.04382	1.4
140.06152	1.5
140.07175	33.2
141.05638	1.0
148.34663	1.0
166.05057	3.9
184.06154	71.3
185.02248	5.7
185.06509	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	185.022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79292	0.4
57.97559	0.5
61.93992	0.5
78.95902	91.7
96.96963	3.8
110.98531	100.0
152.99634	5.2
185.02205	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	86.9
60.01710	1.2
85.02953	0.8
92.65321	0.8
97.06534	1.0
115.02496	3.4
117.00440	13.0
124.17777	0.8
125.09712	14.7
127.05100	1.1
127.23165	0.8
127.87035	1.3
141.86755	1.0
142.89343	11.4
144.99899	1.6
159.01479	100.0
159.85995	1.0
159.87863	1.4
160.01616	9.6
186.88402	3.9
187.00975	14.1
187.09767	7.7
187.86003	0.9
188.01167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0248
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
50.72754	0.3
54.82589	0.4
57.03453	0.5
58.00589	1.5
58.02984	3.4
58.22741	0.4
59.01387	5.1
64.34566	0.4
67.01895	12.9
68.99814	0.4
71.05009	2.0
73.02536	0.7
73.02946	22.7
81.03458	1.0
83.01389	1.9
83.05026	0.9
84.75909	0.5
85.02958	0.9
88.04037	5.9
88.98792	0.7
89.70844	0.4
97.02960	0.7
97.06593	0.9
98.02483	1.0
99.04519	9.8
102.05587	0.6
111.00880	100.0
112.01218	3.0
115.04034	3.3
125.06084	3.8
125.09704	4.2
125.87247	0.4
127.04005	0.6
130.05092	2.1
141.05630	0.5
143.03514	19.4
143.07169	2.7
143.11942	0.5
169.05022	0.5
170.08229	0.5
180.13463	0.4
187.02477	0.8
187.06142	2.5
187.09760	2.2
188.09323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
53.63596	0.2
58.15076	0.2
59.01363	0.4
75.11004	0.2
80.22108	0.2
102.03481	0.4
109.73896	0.2
113.37824	0.2
116.05033	0.3
121.82248	0.2
134.64778	0.2
141.86763	0.4
144.04550	100.0
145.04898	5.6
159.03281	0.3
188.03554	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	190.051
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
51.08359	0.3
56.57843	0.3
59.42892	0.3
83.52368	0.4
85.16755	0.3
92.12394	0.5
94.09410	0.3
102.39578	0.4
103.67720	0.3
116.05065	3.5
118.06600	2.1
128.05034	6.1
129.05435	0.5
131.03760	20.5
132.04076	0.7
132.12619	0.3
137.04715	0.4
144.04550	25.5
145.04903	0.9
146.06116	100.0
147.06458	7.1
162.05685	0.7
172.03992	3.0
190.05093	13.9
191.05457	1.6
203.59743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0875
Annotation	Dihydrobackebergine
Peak:m/z	Relative Intensity
50.84084	0.2
51.17239	0.3
57.03456	1.2
59.01387	20.9
60.02507	0.2
67.01897	0.3
68.19135	0.2
72.99313	0.3
73.02938	1.2
73.11488	0.3
78.27586	0.3
83.01415	0.4
85.02944	5.3
87.00871	7.8
89.20719	0.3
93.03442	0.6
104.02758	0.3
111.00880	16.7
116.19642	0.3
117.01935	0.4
118.99304	1.4
119.05020	100.0
119.57552	0.3
120.05341	3.5
129.01964	1.1
131.03726	0.6
144.04573	1.1
145.06593	0.5
145.96889	0.4
146.02469	0.3
146.06131	3.4
148.07698	6.4
162.05623	1.2
173.00914	0.6
175.06352	0.3
176.01201	1.6
190.08746	52.9
191.01886	2.1
191.09096	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72383	0.5
57.03451	7.6
59.01383	0.9
59.10101	0.6
67.01882	3.0
68.13673	0.5
75.48522	0.5
76.57420	0.5
85.02943	33.8
87.00865	56.0
92.27186	0.6
111.00873	100.0
112.01219	1.4
121.98485	0.8
127.65158	0.6
129.01909	6.6
144.38191	0.6
170.95352	0.6
173.00906	2.8
182.59634	0.6
191.02016	12.0
195.76303	0.7
211.00523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03243	0.3
57.03462	6.4
59.01385	8.2
67.01894	3.0
72.99310	1.2
73.02940	1.8
78.91884	0.6
83.01384	0.7
84.64053	0.3
85.02950	33.0
86.03273	0.5
87.00876	54.9
88.01202	0.6
91.01874	0.3
99.92558	0.3
101.02435	1.2
111.00882	100.0
112.01214	3.7
115.92133	0.3
116.92879	1.9
117.01958	1.2
117.92859	0.5
119.50471	0.3
129.01955	5.7
130.99817	0.5
147.00963	0.4
147.03018	0.4
154.99901	1.5
165.02048	1.7
173.00867	2.9
190.88507	0.5
190.97783	1.3
191.01987	13.5
191.03494	0.8
191.10768	3.6
192.03183	2.7
205.62056	0.4
212.81575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74474	0.5
57.03466	6.1
59.01139	0.4
59.01382	6.5
61.98811	0.5
67.01880	2.1
72.99285	2.6
73.02905	0.9
85.02947	29.4
86.03280	0.7
87.00870	53.6
88.01201	0.8
101.02445	1.0
111.00875	100.0
112.01199	2.7
116.92756	0.6
117.23591	0.5
126.00977	0.6
129.01936	5.5
130.99791	0.7
132.86761	0.7
154.99802	1.0
165.02026	1.3
165.25034	0.5
173.00862	1.2
190.88463	0.9
190.97737	1.2
191.02016	10.8
191.03590	1.0
191.10837	4.6
192.03178	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
57.03455	5.9
58.23539	0.6
58.28617	0.9
59.01382	15.4
59.63820	0.8
60.07838	0.6
67.01875	1.5
67.32338	0.7
72.99303	1.4
73.02943	1.1
78.91894	1.2
83.01373	1.5
85.02467	1.4
85.02950	33.9
87.00868	54.0
88.01186	0.8
92.12061	5.3
99.00860	0.9
100.47009	0.7
101.02452	1.2
111.00879	100.0
111.02048	3.5
112.01215	1.8
129.01912	5.2
138.48628	0.9
147.02969	0.9
165.02019	3.0
170.89122	0.8
173.00891	3.2
190.97748	1.0
191.01974	13.2
191.03636	2.5
191.10794	13.5
192.03195	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	7.9
59.01376	1.3
67.01887	3.5
69.26973	0.7
85.02465	1.4
85.02956	36.0
87.00875	55.0
103.46046	0.7
111.00877	100.0
112.01193	1.8
129.01942	6.1
130.99843	0.8
145.47920	0.8
173.00893	1.8
191.01945	12.6
191.05580	3.0
207.31596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
54.19354	0.4
57.03456	6.5
59.01387	0.8
60.48238	0.4
67.01899	4.2
72.99275	0.6
73.02957	0.5
74.45560	0.4
85.02949	30.4
86.03325	0.7
87.00871	56.5
88.01218	0.7
95.19244	0.4
98.38831	0.5
111.00878	100.0
112.01232	4.2
114.85516	0.4
129.01938	4.8
130.99847	0.5
142.70406	0.5
146.62773	0.5
154.99875	0.8
169.24231	0.5
173.00945	2.8
181.65654	0.5
191.02003	13.7
199.76796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Anemonin
Peak:m/z	Relative Intensity
51.30947	0.2
54.49012	0.2
54.99922	0.2
56.00311	0.2
57.03458	0.2
59.01117	0.3
59.01388	5.8
64.02961	0.2
72.93678	0.3
85.02944	1.4
87.00883	1.7
111.00871	3.3
118.99310	0.3
119.05005	2.3
121.02948	100.0
122.03275	4.5
126.85458	0.3
147.04512	6.9
191.01874	0.5
191.03487	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	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59056	0.3
58.00146	0.3
59.01387	8.7
59.78678	0.3
69.02935	0.3
71.01372	0.9
71.35596	0.3
71.96802	0.4
72.50014	0.3
73.02953	3.1
85.02930	0.5
89.03954	2.8
101.02434	0.5
106.04241	1.6
117.03436	4.0
130.22047	0.4
133.02956	2.1
134.03731	100.0
135.04071	4.9
137.02435	4.5
139.03944	1.8
149.06079	7.2
150.03233	0.7
150.94791	0.7
169.83197	0.4
178.02705	10.9
179.03072	0.7
192.95854	0.9
193.05064	9.5
193.06819	0.6
194.05411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
50.23800	0.2
58.42877	0.3
59.01390	2.0
61.21663	0.2
73.02920	0.7
93.03432	1.2
100.94629	0.3
106.04219	2.0
111.00874	0.5
117.03442	0.5
121.02946	2.5
133.02954	7.4
134.03737	100.0
135.04082	6.4
137.02444	16.4
138.02777	0.4
139.04008	6.0
146.87369	0.3
149.02516	0.5
149.06088	17.0
150.03218	1.7
150.06427	1.6
166.93536	0.3
175.29295	0.3
178.02719	53.9
179.03041	3.6
192.32172	0.3
193.05064	25.7
194.05458	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	194.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01927	0.2
59.01382	1.5
64.01934	0.2
66.70051	0.2
69.23257	0.2
92.12434	0.2
96.95975	0.3
108.04558	0.3
113.95824	0.2
129.01891	0.2
136.00401	10.2
150.01988	0.4
150.03123	0.2
151.02763	1.3
163.99904	100.0
165.00246	4.0
178.01494	1.1
179.02246	59.6
180.02582	3.0
194.04573	7.9
195.04994	0.5
198.23830	0.2
201.66098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.9
73.02920	0.5
75.00894	0.9
75.38945	0.4
78.53079	0.5
81.22585	0.4
82.40411	0.4
91.40248	0.4
96.96002	2.3
105.02195	5.9
108.02267	0.4
108.04592	0.9
115.51729	0.4
122.02473	100.0
123.03310	15.9
133.01692	11.0
133.05145	0.4
134.02429	0.5
135.06563	0.5
138.05603	66.7
138.52090	0.4
139.05939	2.8
148.04059	8.7
149.01196	3.0
150.01952	6.5
155.02235	2.3
164.03622	0.7
166.05101	11.3
179.02232	12.0
180.02698	0.5
194.04578	9.8
195.05023	0.6
195.06993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.03
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
59.01109	0.3
59.01394	9.9
60.19408	0.2
61.98831	0.3
62.06494	0.2
73.02964	0.3
75.00874	1.2
75.81837	0.2
94.55004	0.2
95.01390	1.0
96.84162	0.2
96.96002	3.9
108.02175	6.4
128.86957	0.2
135.06625	1.0
136.01654	100.0
137.01956	3.7
151.00482	0.3
151.04002	7.5
152.91846	0.4
160.84283	0.4
180.00641	4.6
188.68036	0.2
195.02997	22.0
196.03362	0.9
211.22511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0509
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
55.74412	0.9
57.03441	6.2
59.01384	22.5
60.68850	1.0
71.01373	8.4
72.99306	9.2
75.00865	100.0
78.52199	1.0
85.02941	8.1
87.00867	16.5
89.02430	5.9
93.54416	1.0
96.57846	1.1
96.96933	1.3
99.00875	12.6
112.87919	1.3
122.61688	1.2
129.01927	32.6
159.02979	5.2
165.22073	1.1
177.04008	4.7
195.05092	75.6
196.05469	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	197.0609
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
59.01387	4.1
61.98840	31.8
68.99579	8.7
82.21603	1.9
95.01408	15.0
96.66586	1.9
97.02987	2.1
101.02464	3.9
103.97656	10.4
108.04597	2.2
111.91689	2.1
112.98578	7.8
116.92904	2.9
121.02962	11.4
123.00879	55.1
124.01134	2.4
125.02435	3.9
126.90504	3.8
138.03238	10.0
153.05605	8.6
166.99855	39.5
182.02228	66.4
197.04526	20.3
197.06117	100.0
197.10214	2.2
197.11809	18.5
198.06445	9.7
203.95764	2.2
212.89928	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	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.02660	0.3
57.03447	1.4
59.01377	0.6
59.66553	0.3
61.98811	0.4
62.60448	0.3
71.01382	0.4
71.05016	3.2
73.02931	0.6
75.65676	0.3
85.02942	0.7
92.65566	0.3
97.02966	0.4
97.06521	0.3
98.06979	0.3
99.00861	0.5
99.04486	0.4
104.77188	0.3
111.00834	0.4
113.02438	2.7
116.92826	0.7
125.09690	1.4
127.03991	1.4
127.11273	4.5
134.82420	0.3
153.12885	0.8
155.10785	1.2
156.89464	0.7
179.44427	0.3
181.12299	0.7
197.11809	1.5
199.13411	100.0
200.13745	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03460	0.8
59.01378	1.7
59.10717	0.7
61.98832	1.2
71.05006	4.2
73.02946	1.0
85.02937	1.7
86.12910	0.9
92.66524	0.9
99.00824	1.0
99.08137	0.8
105.09544	0.8
113.02442	4.5
116.92838	1.9
127.03973	1.8
155.07147	1.0
155.10815	0.9
156.89500	1.4
166.77226	0.8
169.12384	5.6
181.12334	19.1
182.12657	1.3
197.11824	1.2
199.06078	1.7
199.08163	1.7
199.13409	100.0
200.13770	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34662	1.3
59.01382	100.0
67.36363	1.5
80.73390	1.7
86.11354	1.9
92.12292	2.2
149.30716	1.7
157.03642	2.1
159.01506	3.4
201.02527	18.9
216.17929	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.89416	1.0
57.03463	29.4
58.00597	2.2
59.01394	57.4
61.98819	1.3
65.44974	1.1
67.05544	1.4
71.05013	1.8
71.99413	1.2
72.96204	1.1
72.99310	28.1
73.02952	2.4
80.36281	1.3
83.05032	3.2
84.41366	1.1
85.02932	5.4
85.06561	1.6
86.03756	1.9
87.04513	60.7
93.07074	1.9
99.91022	1.5
101.06067	5.8
111.08137	7.0
113.06082	31.9
119.05015	87.5
120.05303	6.0
121.06639	2.2
121.10219	11.3
126.36366	1.4
130.08739	2.7
131.03738	1.9
137.09732	9.6
139.11282	11.9
143.03793	1.4
144.04514	6.0
155.10788	22.2
156.05797	2.0
157.08696	2.9
157.12305	2.7
158.06125	1.6
159.89326	2.4
163.04008	45.6
164.04361	2.6
183.10268	29.6
201.02536	8.4
201.11337	100.0
202.05112	36.3
202.10738	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	201.9578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70231	0.4
54.75462	0.3
59.01386	88.3
60.01727	3.2
61.98848	0.7
85.65306	0.5
92.11840	0.5
99.92577	100.0
100.92599	7.4
103.92017	2.3
104.97719	0.5
115.92078	1.9
116.92863	10.4
117.92883	0.7
121.92294	0.7
127.87025	0.6
130.59995	0.4
130.94368	0.6
141.85661	1.0
141.86812	62.1
141.93633	83.9
142.93645	6.8
148.95439	1.8
158.06091	2.1
159.87880	56.8
159.89330	5.7
160.88010	0.9
160.89261	4.3
164.83607	2.8
166.83218	0.6
174.93405	0.8
174.99254	1.8
201.80263	1.0
201.87776	0.5
201.89082	0.5
201.95789	6.3
202.02666	1.0
202.88638	0.6
202.94177	0.7
216.32204	0.5
218.88989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01715	6.8
60.02013	0.3
60.38741	0.2
61.01811	0.3
61.98836	0.3
68.35334	0.2
80.04352	0.1
95.00182	0.2
97.13342	0.2
99.92570	29.9
100.92586	2.3
103.92049	0.7
107.90684	0.2
113.02441	0.2
115.92059	0.2
116.92841	2.2
121.92252	0.2
125.40694	0.1
141.86807	16.6
141.93628	26.0
142.86938	0.2
142.93619	2.4
148.95450	0.2
157.03569	0.3
158.03690	1.3
158.06169	0.8
159.01491	1.4
159.87872	11.9
159.89384	1.1
160.01610	2.0
160.88031	0.2
160.89284	1.0
161.01259	0.3
164.83669	0.3
174.93480	0.2
201.02568	1.8
201.80209	0.2
201.88972	0.2
201.95686	1.9
202.02724	6.9
202.95900	0.2
203.02290	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	202.051
Annotation	Doryanine
Peak:m/z	Relative Intensity
54.47136	0.8
55.01867	1.0
57.18810	0.8
59.01385	13.6
61.00089	0.8
63.28696	0.8
65.99836	6.2
97.67241	1.0
104.97683	0.9
131.03734	4.1
141.93608	1.1
142.02982	31.7
144.04544	10.9
159.03256	6.2
174.05589	29.8
174.07080	1.3
175.05829	1.3
202.05101	100.0
203.05530	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	203.0827
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
54.73400	0.6
59.01365	1.1
72.00533	0.9
72.00906	21.1
74.02469	34.7
92.97421	0.7
102.75133	0.7
116.05052	100.0
117.05393	4.4
123.46212	0.6
130.06612	3.1
136.57802	0.8
142.06619	30.8
153.92915	0.6
157.07758	0.8
159.09283	16.1
186.05583	4.0
203.08278	67.1
204.08542	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
52.04327	0.3
55.45299	0.4
56.66927	0.3
59.01384	100.0
60.01718	22.8
61.01806	6.8
61.98833	70.0
62.02147	0.4
75.49152	0.3
81.04279	0.3
90.55295	0.3
92.65509	0.4
143.86552	0.3
159.03310	1.5
161.01215	4.3
162.01643	0.9
162.89368	2.1
203.02267	4.6
204.02676	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	204.0667
Annotation	Indolelactate
Peak:m/z	Relative Intensity
59.01391	7.4
59.58587	0.3
60.01713	0.5
61.98835	1.2
70.14841	0.3
71.01392	0.5
76.21392	0.3
77.51619	0.3
88.04037	0.6
90.65515	0.3
92.05059	0.4
116.05051	12.3
124.78790	0.3
128.05029	5.0
132.03004	1.4
144.04576	1.8
146.06113	100.0
147.06454	5.1
151.09370	0.3
156.04549	51.4
157.04866	1.9
158.06090	0.4
160.04025	0.7
161.89491	0.5
162.89322	1.6
172.03990	2.0
174.05592	39.7
175.05867	1.5
197.04332	0.4
203.94461	0.3
204.06654	17.7
205.05098	0.4
205.06989	1.4
205.15973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0667
Annotation	Indolelactate
Peak:m/z	Relative Intensity
54.23818	1.5
54.85614	1.4
59.01112	2.5
59.01384	49.4
60.01719	2.1
61.98828	13.4
65.13947	1.4
68.21685	1.4
72.99305	26.3
75.00885	1.8
76.03945	1.4
92.05034	1.8
99.53564	1.6
116.05035	35.4
119.04984	2.2
128.05032	24.4
130.06601	34.3
132.02972	2.2
132.04507	3.8
142.06622	40.9
144.04585	3.8
145.02907	2.2
146.06114	2.4
158.06097	95.4
159.06454	3.9
160.03976	2.9
161.06100	9.7
161.89456	2.3
162.89346	9.2
172.04013	4.1
181.18954	2.2
185.11978	1.8
186.05602	31.5
203.12755	4.3
204.06667	100.0
204.13193	6.0
205.05122	2.6
205.06934	6.6
205.16008	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	204.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76769	0.7
54.03549	0.7
57.03443	2.1
58.02715	1.7
58.02980	34.6
59.01381	9.9
69.03441	3.4
71.01363	3.2
71.05014	8.8
72.04543	1.6
72.99284	5.2
73.02924	1.2
74.02439	4.5
81.03420	1.1
84.04551	6.3
85.02950	13.8
87.00881	13.6
87.04511	1.8
88.04039	10.5
89.02435	1.1
97.02946	1.4
98.02440	1.6
98.06114	8.6
99.04500	7.6
100.04025	15.2
100.07658	1.3
101.02440	10.8
108.04571	1.4
110.06091	1.4
111.00941	1.0
114.05591	5.7
114.09200	2.1
115.03972	0.9
116.07156	20.6
124.07665	3.3
125.02431	42.1
125.03345	1.8
128.07141	4.2
129.01917	0.9
130.05070	4.0
138.05606	4.9
140.07175	22.4
142.08710	1.1
143.03479	1.5
145.01443	3.4
145.16728	1.0
156.86119	0.8
158.08217	42.4
159.08545	1.2
162.07701	4.1
168.02899	1.1
168.06648	4.2
186.07738	17.6
187.02492	4.6
202.07268	1.6
204.08774	100.0
205.03481	12.8
205.09149	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	204.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88314	1.0
53.08266	1.0
57.03454	15.5
59.01382	26.3
64.34119	1.3
71.01379	46.7
72.00909	12.7
72.99303	2.3
73.02941	1.6
74.02470	100.0
85.02960	9.9
88.04034	86.0
89.04371	1.6
102.05597	15.4
111.00891	5.9
115.03951	1.2
125.02441	1.8
126.03078	14.6
132.02950	1.2
132.06657	98.0
133.07011	1.8
146.04588	44.1
147.04959	1.2
152.67131	1.2
162.89334	1.6
168.04129	1.7
168.43675	1.2
204.08788	42.1
205.09056	2.0
205.15857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.046
Annotation	2-Formaminobenzoylacetate
Peak:m/z	Relative Intensity
51.27078	0.2
53.49998	0.2
63.64893	0.2
65.81269	0.3
65.99036	0.3
73.58242	0.3
98.06598	0.3
108.04580	0.4
115.00134	0.4
117.87057	0.3
118.02964	1.3
119.05034	3.4
120.04562	5.1
129.76091	0.3
132.04532	2.1
134.02452	0.7
134.06107	6.9
144.04550	4.6
147.03276	16.4
160.04042	13.7
161.04372	0.4
162.05609	100.0
163.05975	3.7
164.37749	0.3
168.41559	0.3
181.53220	0.3
188.03523	6.1
206.04613	19.9
207.05092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82163	1.2
58.02716	1.8
58.02985	42.9
59.01385	31.0
61.98832	1.9
63.85999	0.9
66.67046	1.0
70.02985	14.6
71.01389	2.6
72.00892	5.9
75.00860	1.9
78.20489	1.0
78.65292	1.0
79.95738	1.6
85.70301	1.1
86.82669	1.1
89.63748	1.1
91.05531	8.9
97.55718	1.2
116.16801	1.2
119.05010	19.2
126.90557	1.1
129.01921	4.7
133.25272	1.2
147.03090	6.5
147.04494	38.4
161.04521	2.1
162.05621	6.3
162.09192	2.0
164.07169	100.0
164.89543	1.8
165.07492	2.2
165.16096	1.1
200.34877	1.3
205.16002	5.8
206.08231	44.4
206.16412	8.3
207.01231	9.8
207.02980	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	209.0667
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
55.01867	4.9
57.03456	29.7
59.01384	48.8
62.08159	1.1
62.40064	1.2
63.66827	1.2
68.99777	1.7
69.03438	1.6
71.01379	39.3
72.99284	8.4
73.02921	2.6
78.95894	36.4
82.82652	1.2
83.01376	12.5
83.05006	1.3
84.02145	2.6
85.02946	90.0
85.39828	1.2
86.00105	1.8
87.00866	57.3
87.04515	2.0
89.02441	21.5
96.95975	5.8
96.96953	15.4
97.02927	1.3
97.98275	1.3
99.00885	10.0
101.02425	7.8
110.98516	16.4
111.00903	1.2
113.02488	1.5
115.00357	3.2
115.03996	6.3
117.31120	1.3
119.03461	2.4
124.00744	1.2
129.01939	33.0
131.03497	20.3
131.08238	12.6
133.01390	6.6
145.99283	1.6
159.02982	6.5
161.04530	2.8
173.10387	7.9
191.01955	6.1
191.05611	36.5
209.03296	12.5
209.06682	100.0
210.07013	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	Coriose
Peak:m/z	Relative Intensity
52.99464	0.7
55.01878	1.7
57.03202	0.7
57.03461	19.2
58.00591	1.9
58.99600	1.8
59.01387	100.0
61.40314	0.7
69.03452	1.2
71.01385	60.4
72.99304	9.5
73.02931	4.3
74.99084	4.6
75.00858	4.6
78.95891	1.7
83.01374	5.6
83.72723	0.9
84.02179	3.3
85.02949	72.1
86.03273	1.7
87.00870	25.3
88.04005	1.3
89.02440	63.4
90.02764	0.9
96.89966	0.8
96.96929	3.3
99.00869	3.2
101.02417	5.7
110.82515	0.9
111.00866	1.8
113.02483	1.7
115.00390	1.5
115.03993	1.0
116.07140	0.9
116.82966	0.8
119.03473	1.1
121.02950	5.7
124.00751	2.0
129.01918	13.6
131.03535	6.2
133.01422	6.9
149.04535	5.0
159.02936	1.4
165.01895	1.2
176.53680	0.8
191.01965	9.4
191.05652	6.9
209.03105	18.0
209.04834	1.7
209.06673	26.7
210.03398	1.0
221.60252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
54.82802	0.6
57.03459	3.0
57.96080	0.4
59.01390	100.0
60.01706	1.1
61.98848	0.8
63.48513	0.4
71.01404	3.5
71.07225	0.4
83.05868	0.5
87.93057	0.5
89.02451	4.4
93.03446	0.8
94.03004	0.9
95.01435	0.5
97.06606	1.3
109.06626	2.4
113.02476	0.6
120.02203	1.9
121.02957	58.8
122.03322	2.9
124.04036	0.9
136.01753	0.8
136.29204	0.6
149.04721	0.7
165.12923	2.6
166.94394	0.7
199.11275	0.6
209.04620	9.4
209.11859	14.4
209.13660	0.8
210.12225	0.7
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	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
50.31851	0.8
59.01386	25.8
61.98840	0.9
65.59776	1.0
71.01365	4.4
79.05524	1.9
80.96500	1.0
86.85401	1.0
89.02431	6.5
91.01878	1.2
108.90484	1.3
120.02160	4.7
121.02941	100.0
122.03269	5.8
136.01680	1.9
147.11787	6.9
148.99327	1.2
159.46353	1.0
191.10739	7.5
209.04633	13.1
209.11827	28.5
210.12206	1.4
229.18687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0768
Annotation	DIPHENYLACETIC ACID
Peak:m/z	Relative Intensity
59.01386	5.9
61.98828	1.1
64.18883	0.5
67.04435	0.5
71.01382	2.5
73.02963	0.6
86.21524	0.4
89.02434	2.5
91.57578	0.5
101.02425	1.8
151.06126	7.4
167.08673	100.0
168.09048	5.0
176.40768	0.5
211.07684	52.5
211.13406	24.3
212.08020	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	211.134
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
54.64255	0.3
59.01385	4.4
60.20709	0.3
60.99305	0.6
78.99868	0.4
80.02627	0.4
81.03445	1.6
83.05013	0.8
88.86899	0.3
94.04787	0.3
97.06591	6.0
109.06575	0.5
111.08212	0.3
125.87489	0.4
136.02542	0.3
137.09698	0.5
139.07657	0.4
147.87123	0.3
149.13333	3.0
151.06108	1.3
165.12842	3.0
167.14417	4.9
175.11238	0.4
189.10666	0.4
193.12323	6.1
209.11766	1.6
211.13409	100.0
212.13759	6.7
215.38687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.83979	0.5
58.93018	0.5
59.01371	5.1
61.98826	2.4
66.01367	0.6
70.55062	0.5
71.01389	1.5
72.67446	0.7
85.02965	0.6
89.02441	1.4
101.02438	1.2
111.08142	0.8
124.89396	0.9
134.36536	0.6
151.06105	7.8
156.63373	0.6
167.10855	0.8
167.14412	3.5
183.13911	13.7
193.12303	2.8
211.13411	100.0
212.13802	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	213.1135
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
50.40025	0.4
51.83208	0.3
51.89377	0.4
57.03448	0.9
59.01373	0.9
61.98825	1.8
70.98031	0.4
71.21172	0.4
76.67786	0.4
84.60354	0.5
92.42149	0.5
109.59644	0.5
139.20050	0.4
151.10085	0.6
151.11279	15.0
151.12465	1.0
169.12325	100.0
170.12656	4.9
212.13716	0.5
213.11314	15.7
230.37013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.03429	0.5
57.66333	0.4
59.01385	1.0
61.98831	1.0
74.30717	0.4
83.40184	0.5
92.65116	0.4
97.06543	1.0
118.01189	0.5
151.11285	12.5
169.12337	100.0
170.12692	3.9
179.11641	0.5
193.06648	0.9
195.08076	0.7
195.10287	0.6
213.11330	25.0
214.11617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1083
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
51.22320	0.4
52.45135	0.5
59.01396	60.7
60.01732	0.9
83.34457	0.5
85.02959	0.7
86.90009	0.5
90.97120	0.5
91.35677	0.4
103.92738	0.6
104.50488	0.4
125.09745	1.1
127.11279	3.7
132.98184	2.4
137.09727	3.2
137.14168	0.5
145.57997	0.5
153.09198	1.1
155.10785	39.8
156.11110	1.9
166.13574	0.5
171.10275	65.5
172.10616	2.8
174.99245	18.8
181.08698	0.7
182.79301	0.5
192.55325	0.5
199.09766	5.1
206.36211	0.5
217.00328	15.3
217.04256	4.7
217.10828	100.0
218.04456	0.5
218.11095	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	218.1036
Annotation	D-Pantothenic Acid
Peak:m/z	Relative Intensity
59.01379	4.2
61.45251	0.7
71.01389	13.3
71.04623	1.0
71.05022	29.1
72.00904	1.0
88.04037	100.0
99.04512	10.3
102.48887	0.8
114.78858	0.7
116.07156	3.8
129.05588	1.4
139.93024	0.8
143.49747	0.9
146.08232	62.3
147.08513	0.8
218.08269	1.2
218.10349	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	7.7
62.85515	0.5
64.34217	0.6
71.01392	11.4
71.05024	26.3
72.00919	1.2
72.04617	0.6
88.04043	100.0
89.04411	1.0
92.31499	0.6
95.16402	0.5
99.04510	9.4
116.07160	3.3
117.03426	0.9
118.61767	0.6
119.05029	0.8
129.05522	0.9
132.04504	0.7
145.02972	1.3
146.08229	57.3
147.08600	0.9
175.99559	0.9
187.00600	0.6
218.10344	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40544	8.4
55.23766	8.9
62.62619	10.7
70.73808	11.0
71.22303	9.3
75.40055	10.2
90.53757	10.3
90.87264	10.0
92.12304	16.4
149.18077	12.8
181.07207	100.0
201.08818	12.2
206.90575	12.9
219.04506	22.2
228.75984	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	219.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48703	0.1
57.75639	0.1
58.28081	0.1
59.01387	100.0
60.01723	1.1
60.99691	0.1
61.98839	0.2
82.38932	0.1
112.06948	0.2
117.03473	0.2
120.34636	0.2
122.96261	0.1
126.38125	0.2
132.05853	0.2
145.02997	0.3
169.25552	0.2
175.07706	0.4
219.06818	0.2
219.17624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41566	0.3
55.82921	0.3
59.01114	2.2
59.01387	62.9
61.26651	0.3
61.98864	0.7
63.52095	0.3
71.01423	1.7
73.02974	1.6
77.11414	0.4
83.01407	0.7
85.02946	2.8
89.02486	2.1
97.02959	0.5
101.02507	1.9
115.35625	0.4
121.02997	0.6
131.03502	2.9
133.02985	1.8
134.03741	6.0
135.04549	1.5
137.02490	0.5
155.21758	0.4
161.02505	1.6
161.04573	7.8
161.05934	0.8
162.03247	0.8
162.05650	0.8
162.06911	2.7
175.02745	0.6
176.03555	2.7
190.05116	1.9
204.04704	0.7
204.06674	32.1
205.07449	100.0
206.07788	6.0
220.09796	30.9
220.11975	0.7
221.10185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0409
Annotation	N-Malonylanthranilate
Peak:m/z	Relative Intensity
50.75844	0.1
59.01111	0.3
59.01386	6.4
60.01727	1.6
73.02941	0.2
86.02411	0.2
89.02477	0.2
91.05496	0.2
92.11744	0.2
104.05047	2.5
107.05003	0.3
112.25429	0.2
117.03448	6.1
118.03004	0.2
118.03795	0.2
125.64835	0.2
131.03746	2.6
132.04552	6.9
134.06100	0.2
135.04518	2.7
150.05618	0.2
159.03242	1.5
160.04034	100.0
161.04407	5.5
162.04886	0.6
165.88524	0.2
178.05070	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	222.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.3
59.01383	6.0
60.01722	1.4
60.01968	0.2
64.01933	0.2
70.86512	0.1
81.03425	0.2
83.38320	0.2
86.88725	0.1
88.26849	0.2
91.05558	0.2
96.82676	0.2
102.03463	0.2
104.05048	2.7
117.02651	0.3
117.03450	6.8
128.41696	0.1
131.03746	2.3
132.04539	6.5
134.03769	0.2
135.04494	2.8
159.03247	1.6
160.04025	100.0
161.04382	5.1
162.04863	0.7
163.06091	0.2
171.05444	0.2
178.05103	2.2
190.25124	0.2
201.88269	0.2
236.82907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.9
57.03461	19.9
59.01386	12.1
59.72053	1.4
60.64504	1.4
64.72815	1.4
64.90820	1.5
67.84062	1.4
69.03436	2.0
71.01379	10.1
72.09092	1.7
72.99311	37.7
73.02931	3.1
75.00870	12.6
78.95940	2.3
80.37679	1.5
81.03455	17.4
83.01379	4.1
85.02948	91.8
86.02108	1.6
87.00867	7.7
96.96965	1.9
99.00874	17.2
101.02431	3.6
111.00861	29.2
112.98772	2.5
113.02441	3.6
117.01945	2.2
125.02433	46.1
129.01926	95.2
130.02309	2.2
143.03499	3.2
147.03001	24.2
161.04565	1.9
166.32301	1.6
187.02510	2.5
205.03552	53.1
206.04041	2.3
223.02365	3.5
223.04591	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	223.0612
Annotation	Sinapate
Peak:m/z	Relative Intensity
52.71660	0.7
55.37823	0.8
59.01384	13.7
60.01542	0.8
63.15417	1.0
65.00316	0.9
93.03449	22.9
121.02946	41.3
122.03275	1.0
135.04526	14.5
137.02457	2.3
149.02448	81.6
150.02829	1.6
151.04022	0.9
152.01163	18.2
159.75883	0.9
163.03996	19.9
164.04800	40.6
165.01930	22.6
167.03471	1.8
169.05095	6.8
172.10509	1.1
179.07124	11.7
193.01425	94.3
194.01819	1.7
208.03784	100.0
209.04123	2.3
223.06151	52.9
224.06407	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	223.1704
Annotation	beta-Isocyclolavandulyl isobutyrate
Peak:m/z	Relative Intensity
59.01106	4.7
59.01387	100.0
61.98835	4.9
70.99198	2.7
86.09675	3.1
91.63981	2.7
92.11746	6.0
131.17575	2.9
141.01695	23.2
189.80617	3.1
223.17039	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.077
Annotation	Ficusol
Peak:m/z	Relative Intensity
54.08571	0.5
59.01400	4.0
61.98804	0.7
71.01379	0.7
75.00882	0.9
84.02583	0.6
89.02444	1.3
93.03443	2.1
95.01379	0.7
96.00165	0.5
97.02917	0.7
109.02946	3.3
120.49817	0.5
121.92257	0.6
137.02449	26.2
137.06120	0.5
137.97633	0.6
138.03204	0.9
151.04013	0.8
153.05540	0.8
165.01933	100.0
166.02313	1.2
179.03412	1.3
180.04291	88.4
181.04619	1.2
195.03000	36.0
195.06638	63.1
196.03299	0.6
196.06956	0.7
210.05359	37.9
225.04279	0.8
225.07677	32.6
225.11240	1.1
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	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
54.52402	0.4
57.03448	0.8
59.01387	100.0
61.98821	1.1
71.01381	0.7
75.98995	0.6
81.03465	0.7
87.17575	0.7
89.02428	1.1
93.03416	0.7
97.06557	2.3
107.51244	0.5
120.54697	0.5
121.92237	0.6
134.03777	2.0
135.08159	1.1
137.02441	1.1
144.75714	0.6
147.08188	3.4
149.06155	0.8
165.09209	2.4
181.12315	0.6
195.03036	2.0
197.32117	0.5
210.05397	2.2
225.11354	34.9
226.11705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1608
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
59.01383	9.3
61.98824	1.5
70.18854	0.9
71.01369	3.9
75.45916	0.8
81.03448	13.9
83.05020	98.3
83.80838	1.1
89.02436	1.2
89.89399	0.9
93.03471	1.0
121.92271	8.2
125.07201	5.4
137.02522	1.4
143.08278	2.3
165.07944	1.3
165.91377	1.3
169.00804	1.0
172.92250	1.0
183.92325	5.0
207.15039	13.2
225.16100	100.0
226.16426	5.5
226.20934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
52.71551	4.1
53.91095	4.9
54.15070	4.1
56.42394	4.6
58.29323	4.7
59.01382	49.6
61.03032	4.6
61.98832	100.0
71.01357	5.9
71.11541	4.5
74.10152	5.1
77.33360	4.9
85.43030	5.3
89.02415	9.3
92.12532	5.9
93.03445	9.2
112.98502	4.9
116.92855	8.1
143.99162	5.2
165.07724	5.3
188.66144	5.5
212.91595	5.0
225.11295	7.8
225.18568	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1862
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
54.35221	0.3
54.82304	0.4
59.01118	0.5
59.01385	9.6
61.98828	5.1
67.25429	0.4
71.01384	0.6
72.58636	0.4
81.62951	0.4
83.05050	0.5
87.94845	0.4
94.28264	0.4
101.27460	0.4
117.23670	0.4
130.35869	0.4
143.99091	0.4
207.17616	1.6
225.18610	100.0
226.18919	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	225.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89923	0.9
59.01384	14.9
61.98831	13.9
71.01361	2.2
89.02413	1.6
93.03452	1.4
116.92757	1.1
143.03494	1.3
143.99124	1.2
193.00842	1.0
207.17615	1.5
224.32054	1.0
225.00426	1.1
225.08897	1.4
225.18607	100.0
226.18999	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	225.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87046	2.3
59.01380	31.2
61.98835	39.7
66.67436	2.5
71.01375	2.7
84.71259	2.7
89.02428	4.6
93.03436	5.9
98.19609	2.5
106.62186	2.7
112.98600	2.8
143.99107	4.5
160.56442	2.7
168.37411	2.4
202.65935	3.1
225.18608	100.0
226.18959	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	225.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82774	0.6
59.01385	5.1
61.98832	3.5
62.74247	0.5
69.93002	0.5
79.06931	0.5
83.05018	1.0
88.09161	0.6
90.42498	0.5
91.32104	0.5
105.66293	0.7
116.92815	0.6
163.05701	0.7
180.29553	0.6
207.17537	1.2
225.18620	100.0
226.18929	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	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.79595	0.6
51.56167	0.6
56.82171	0.6
57.03439	1.7
59.01381	7.0
64.34444	0.9
69.03455	17.9
71.05019	3.0
79.47523	0.8
83.05045	0.8
85.06572	1.0
95.05019	10.0
97.06556	0.6
98.33165	0.8
109.06588	14.8
111.08163	18.3
113.09673	0.8
119.20790	0.7
123.08151	5.0
139.07642	5.0
141.09225	6.4
153.12830	3.2
157.08701	0.9
163.11261	2.7
165.12863	5.9
181.07198	1.0
181.12321	1.6
183.13858	1.1
208.93407	0.9
209.11853	7.3
227.12907	100.0
227.20183	7.4
228.13251	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	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.17937	0.4
57.03458	0.6
57.40539	0.4
57.93789	0.4
59.01377	0.7
70.01388	0.5
80.71194	0.5
92.12413	1.8
111.08170	1.0
165.12852	17.4
174.90239	0.5
181.07234	0.7
183.13904	100.0
184.14270	3.7
208.93387	1.1
209.11790	1.0
227.12918	21.0
227.20201	3.8
228.13361	0.8
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
50.45322	1.4
54.82605	1.2
57.03430	2.5
59.01384	13.8
60.43007	1.3
60.99324	1.1
71.04996	1.3
83.05048	2.2
85.66410	1.4
105.07078	7.7
120.96357	1.2
121.10211	2.1
135.08171	5.2
139.11298	1.5
147.11768	1.8
165.09193	2.0
165.12852	7.1
179.03450	1.4
183.10249	9.5
183.13857	1.6
191.10809	2.0
208.93462	2.1
209.11908	9.5
227.12918	100.0
227.20195	23.0
228.13284	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80233	0.6
57.03444	4.0
59.01387	9.7
60.99309	1.5
71.37217	0.6
80.02689	0.7
81.03448	1.4
83.05008	1.4
95.79675	0.6
97.06588	1.1
108.78381	0.6
109.01701	0.9
109.06577	1.2
111.61049	0.7
119.08585	0.9
121.10223	1.3
135.08156	1.6
137.09752	0.9
139.11250	3.5
147.11823	1.3
162.33604	0.6
165.09193	4.2
165.12866	7.6
166.01006	0.6
173.09752	0.7
175.09109	0.7
183.10262	12.7
191.10846	3.4
204.37720	0.8
208.93437	1.0
209.11858	10.5
227.12910	100.0
227.20200	3.7
228.13290	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	227.1292
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03452	3.6
59.01390	6.8
59.67288	0.7
60.99290	1.4
62.36858	0.7
63.13336	0.8
67.63805	0.7
71.57086	0.6
80.02627	0.8
83.05015	1.4
109.06605	2.6
114.38752	0.7
121.10202	0.9
128.87463	0.8
132.10519	0.8
135.08147	6.5
137.09688	1.8
139.11313	3.7
147.11774	1.2
154.04588	0.9
163.11212	0.8
163.98686	0.8
165.09201	3.9
165.12830	7.8
183.10291	12.0
191.10793	4.0
209.11859	10.7
217.88005	0.7
227.12912	100.0
228.13196	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1081
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
52.62933	0.5
57.03446	3.7
59.01377	0.7
69.03439	0.8
91.15776	0.6
92.12341	0.7
92.64892	0.6
105.04018	0.6
120.48003	0.6
125.09639	4.0
127.11271	0.9
139.11267	1.0
141.12892	4.2
146.13425	0.5
155.10835	1.0
167.10814	4.7
185.11823	100.0
186.12122	1.2
201.11363	1.0
229.10802	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
58.00596	15.7
59.01384	100.0
60.21783	2.0
66.69664	2.4
68.17746	1.9
69.51092	2.0
73.02940	12.7
77.68331	2.5
78.14921	1.9
78.69577	1.9
99.00856	10.9
151.11246	3.0
159.39330	2.4
166.30344	2.7
167.14449	8.7
169.12323	13.6
211.13411	14.9
229.14452	53.8
230.14944	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.09781	0.8
56.69868	0.9
57.03445	1.3
58.00594	9.1
59.01384	1.9
61.12505	1.1
62.01443	0.8
65.44212	0.9
82.11620	0.9
96.96005	1.7
97.06567	4.8
99.08147	37.6
101.09701	1.3
113.09712	10.2
127.07628	8.2
129.09209	100.0
130.09558	1.7
149.13371	6.4
167.14397	26.3
185.13612	1.3
185.15302	1.2
211.13573	1.1
229.14464	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	229.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82051	0.6
57.03437	1.1
58.00602	9.6
59.01385	1.3
63.31017	0.6
75.96668	0.6
85.92979	0.5
86.94959	0.6
92.11740	0.9
97.06582	6.5
99.08148	41.2
99.08797	1.5
100.08461	0.7
111.08173	0.8
113.09722	7.9
127.07635	7.4
129.04031	0.6
129.09209	100.0
130.09537	2.5
149.13348	10.2
166.33928	0.6
167.14415	36.0
196.67599	0.6
211.13460	1.0
219.24261	0.7
227.32919	0.6
229.14471	5.5
248.43866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
53.42829	0.7
54.80124	0.7
55.77310	0.7
57.06452	0.7
59.01404	0.8
60.30703	0.7
66.03445	1.0
69.76014	0.8
69.77836	0.9
73.01167	10.9
80.05050	1.7
82.02976	8.0
87.24884	0.9
88.03999	0.8
96.04546	30.4
96.96938	1.1
98.99102	7.4
108.04553	32.9
114.00185	92.4
115.00501	0.9
123.66642	0.8
142.03322	100.0
184.72581	1.0
186.02301	32.3
188.99155	1.0
202.14464	1.0
206.46954	0.9
230.01283	74.9
231.01532	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	230.067
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
54.66437	0.7
56.17913	0.8
57.36375	0.7
62.11057	0.7
68.99554	1.7
72.04184	1.6
72.04546	27.2
73.02934	6.1
73.70153	0.7
78.95899	3.8
82.02979	63.7
83.01370	1.3
84.04536	1.1
85.02941	13.1
88.04024	1.6
96.04533	1.6
96.96954	5.6
98.02468	67.8
98.99102	1.4
100.04045	12.4
102.05602	100.0
103.05935	1.3
108.04522	1.8
111.20207	1.0
114.00165	5.8
114.09266	7.2
115.92070	4.0
116.92831	1.8
125.06059	4.9
126.01969	20.8
128.03568	1.3
132.03006	4.0
132.73898	0.8
142.03357	6.8
150.05684	1.2
168.05237	1.0
168.06659	25.5
169.06906	1.2
175.68124	0.9
184.06111	11.4
186.02278	1.4
186.07727	6.7
212.03606	1.3
212.05673	40.4
230.01260	4.2
230.06689	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90039	0.5
59.01376	3.0
67.50852	0.6
72.04535	3.7
82.02969	4.7
82.06627	0.8
85.08673	0.6
93.50375	0.6
98.02461	12.9
99.00861	3.1
111.03272	2.5
112.07701	1.5
130.08727	100.0
131.09084	1.4
140.07182	8.6
140.10825	4.9
141.95847	0.7
142.12347	4.6
168.10303	17.8
212.09288	27.4
213.09644	0.8
230.13829	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	232.0617
Annotation	(E,E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
Peak:m/z	Relative Intensity
54.30001	0.5
59.01388	13.9
59.58052	0.6
61.99138	0.5
63.39637	0.6
64.34855	0.6
75.00861	2.8
87.92528	2.5
91.56673	0.6
91.66879	0.6
103.92034	1.2
109.02966	1.4
123.94646	3.1
128.89029	0.6
144.04597	1.1
145.05344	1.4
147.04567	0.8
159.03255	3.6
161.06090	3.3
173.04813	34.6
176.03537	0.7
177.04330	1.4
186.05629	3.4
188.03569	12.6
188.07176	100.0
189.05597	5.5
189.07523	4.4
207.96532	0.6
232.06158	22.9
233.04517	0.8
233.06525	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0455
Annotation	2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
50.80739	0.3
59.01392	6.5
69.83855	0.4
75.41164	0.5
93.03440	0.6
105.03465	0.8
108.02173	0.9
109.02961	31.5
111.00874	2.2
115.05524	0.8
119.05013	2.8
120.72045	0.4
121.02971	4.2
129.03445	0.7
133.02982	1.9
133.06554	0.9
135.04485	4.1
143.05023	6.0
145.02925	0.7
146.03752	7.9
147.03323	0.6
147.04532	16.1
159.04521	6.3
160.05298	0.8
161.02484	6.4
161.06082	57.9
162.06424	2.1
171.04498	9.3
172.05252	0.7
173.08195	1.0
174.03239	5.6
175.03978	0.7
187.04037	2.7
188.04790	2.4
189.05586	100.0
190.05911	5.1
203.41429	0.4
215.03484	0.6
233.04599	13.9
233.08174	0.6
233.10359	1.9
233.15613	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0455
Annotation	2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
53.23995	0.4
54.96770	0.4
56.43658	0.4
59.01387	5.3
66.26519	0.4
75.00866	0.8
76.00082	0.5
76.90115	0.4
93.03431	0.9
99.88433	0.4
105.07124	0.5
108.02164	1.1
109.02951	27.5
110.03281	0.5
111.00878	2.7
115.05557	0.6
119.05019	3.2
121.02945	5.1
129.03476	1.0
133.02968	2.4
135.04517	2.7
143.05025	5.0
145.02927	1.8
146.03752	8.4
147.04521	14.7
159.04532	5.9
160.05293	1.1
161.02457	7.5
161.06075	54.1
162.06410	1.8
171.04512	9.2
172.05315	0.9
173.02481	0.5
174.03210	4.9
175.03973	0.9
187.04004	2.3
188.04758	2.2
189.05576	100.0
190.05949	5.0
198.06876	0.7
203.77481	0.5
204.06253	0.4
205.05086	0.5
215.03560	0.9
233.04567	16.4
233.15491	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	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19472	0.5
59.01391	15.3
61.98819	0.9
74.99064	4.5
75.00879	9.1
83.10242	0.5
91.02198	1.2
93.00134	7.8
111.35019	0.6
134.99385	9.4
136.97308	3.2
139.16805	0.6
149.00955	76.6
150.00951	3.6
150.98953	1.2
159.08487	2.6
161.06281	6.6
172.88136	0.8
172.97658	0.6
189.05582	3.1
190.98808	5.3
211.52412	0.6
215.05692	1.1
217.07231	100.0
218.07318	7.7
226.86967	0.7
232.99753	0.9
233.10362	85.5
233.15311	7.2
234.10515	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	233.1549
Annotation	Confertifoline
Peak:m/z	Relative Intensity
59.01393	5.7
62.87320	0.5
67.73763	0.5
71.64950	0.5
74.22575	0.5
85.69312	0.5
92.11651	1.2
97.02938	2.7
123.87359	0.6
127.05077	0.5
145.73308	0.5
161.03209	0.5
208.66148	0.6
220.56760	0.5
233.15488	100.0
234.15895	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	235.0723
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
56.38925	1.5
57.27700	1.4
59.01385	43.5
60.01226	1.3
61.98831	5.9
63.91126	1.5
66.03481	2.0
70.00459	1.7
72.00906	21.6
72.99297	15.6
79.22019	1.4
81.44226	1.3
87.05606	2.3
87.07403	1.6
92.05056	14.7
92.12376	3.1
96.95921	1.9
116.05067	12.3
118.02966	3.1
118.06603	8.2
120.04517	2.6
128.05028	9.7
129.05774	6.2
130.06609	100.0
131.03751	37.3
131.04903	3.2
132.04553	2.4
133.02913	2.9
134.03821	2.2
137.02426	1.7
144.04561	52.2
145.05283	2.9
146.06111	28.4
148.04111	26.6
148.05313	6.0
154.05330	8.1
155.06189	12.7
157.07683	6.3
160.04050	13.5
161.02425	6.8
161.80539	1.9
172.04057	3.4
173.07195	9.3
174.05597	71.6
175.05969	3.1
190.05121	36.0
191.06958	3.0
191.08443	2.7
196.76987	1.4
218.04572	3.2
234.87245	2.0
235.07486	13.5
235.10881	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	236.0929
Annotation	Cotarnine
Peak:m/z	Relative Intensity
52.11572	0.6
52.82559	0.5
65.51053	0.5
74.09743	0.6
84.52592	0.8
97.80878	0.6
101.60936	0.7
106.30153	0.7
133.02934	1.3
134.03737	15.7
135.04556	5.0
139.04039	0.7
145.02966	0.8
147.04535	4.2
148.05307	100.0
149.06059	9.4
150.06285	0.7
161.02431	1.6
162.03162	1.1
164.62697	0.8
175.02689	3.1
176.03537	0.8
190.05109	41.2
191.05617	1.4
197.78455	0.7
202.05104	3.5
204.06677	3.1
209.56689	0.8
212.43976	0.7
220.06168	83.2
221.06944	77.5
222.07248	3.8
236.09285	82.5
237.09569	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10614	3.0
57.47523	3.1
59.01386	50.8
61.98821	14.0
70.29414	3.2
75.00845	14.6
86.35323	3.9
115.44011	3.8
116.92922	3.7
145.60440	3.5
148.05299	16.6
161.44348	3.5
168.07114	3.9
177.09212	77.7
192.11540	26.5
194.98141	26.7
218.09415	14.4
220.07089	3.7
236.10558	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	237.0618
Annotation	3-Deoxyoctulosonic acid
Peak:m/z	Relative Intensity
55.60046	0.8
55.78565	0.7
56.86309	0.7
57.03447	4.3
58.08420	0.7
59.01385	3.5
64.21131	0.7
65.90902	0.8
71.01378	1.0
72.99300	5.6
74.02465	10.0
78.95889	1.9
85.02941	10.7
87.00875	100.0
92.83542	0.9
96.96967	1.0
98.02466	1.9
99.00864	1.8
99.57837	0.9
101.69599	0.9
111.24075	0.9
116.03560	6.6
117.03869	1.6
121.60583	0.8
129.01939	18.0
147.03008	1.7
198.12810	1.0
237.06108	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39248	0.1
57.14943	0.2
59.01100	0.4
59.01387	6.9
64.34247	0.2
71.01382	1.2
89.02452	2.3
91.03996	3.0
115.56439	0.2
117.03461	30.3
118.03725	0.2
119.05020	49.3
120.05372	0.8
121.02940	2.0
123.04535	0.4
127.01264	0.2
133.02965	0.2
145.02960	100.0
146.03305	2.5
147.04555	0.4
162.03226	0.4
163.04015	14.5
164.04475	0.3
237.07698	45.1
238.08086	1.0
241.75060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70016	0.2
52.93979	0.3
59.01383	4.8
59.29184	0.2
64.87804	0.2
71.01403	0.5
75.90107	0.3
84.54275	0.3
89.02441	2.0
91.03989	2.3
93.51064	0.2
95.80657	0.2
117.03462	30.6
119.05022	19.3
120.05406	0.4
121.02974	1.9
133.02946	0.5
134.03754	0.4
145.02962	100.0
146.03365	2.5
162.03174	0.6
163.04015	6.2
189.95793	0.3
203.79726	0.3
217.28758	0.4
237.07700	32.1
238.08052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26434	0.3
53.84956	0.3
57.03436	0.6
59.01371	1.6
61.44189	0.3
61.98830	0.5
63.36393	0.3
67.05508	0.5
75.00871	1.2
83.05020	1.3
89.02452	0.5
93.03449	0.7
96.95985	0.7
107.05022	1.3
107.08619	0.4
117.03443	1.7
119.05022	3.5
121.06590	0.6
123.08140	4.4
131.08658	1.4
133.06589	6.9
145.02975	6.6
149.09718	100.0
150.10077	2.2
150.99228	0.4
160.09088	0.4
163.03917	0.5
175.11270	1.7
193.12309	0.5
194.98174	1.7
237.07767	4.2
237.11263	3.7
249.94398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83614	0.3
51.19625	0.3
57.03444	0.8
59.01374	2.4
61.98828	0.6
67.05531	0.6
75.00858	0.7
82.50742	0.4
83.05020	0.5
91.40730	0.3
92.09715	0.4
92.12003	0.3
93.03457	0.5
95.19320	0.3
96.96009	1.7
97.44561	0.3
100.26627	0.3
104.19711	0.4
107.04973	1.4
107.08639	0.6
117.03458	1.8
119.05042	2.6
121.06596	0.5
123.08151	6.4
131.08626	1.3
133.06578	5.7
137.09740	0.7
145.02936	5.3
149.09714	100.0
150.10057	1.9
161.02457	0.5
163.04063	0.4
175.11407	0.4
193.08731	0.7
194.98174	1.7
237.07764	3.7
237.11325	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54097	0.4
52.91077	0.4
55.01879	0.7
57.03456	1.0
58.00594	2.1
58.32378	0.5
59.01384	100.0
69.03463	0.5
71.01380	30.8
72.99315	1.7
73.02928	0.8
75.00877	0.4
78.95911	2.6
83.01389	1.9
85.02942	10.9
87.00871	7.5
89.02436	38.3
95.01402	1.9
99.00861	1.8
101.02438	10.4
104.03539	2.0
109.77191	0.4
113.02438	8.2
117.01933	0.8
117.49516	0.5
119.03478	8.7
124.82806	0.5
125.02438	1.7
129.01889	0.6
131.03535	3.0
141.02043	0.7
143.03511	0.6
157.17047	0.5
161.04515	6.3
163.08084	0.5
178.96027	0.8
179.05603	26.9
221.06693	4.2
239.07729	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	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63858	0.5
57.03443	0.7
58.00584	1.2
59.01389	100.0
71.01384	48.5
72.99294	2.4
73.02952	0.9
76.84768	0.6
83.01348	0.6
85.02957	7.8
87.00883	6.7
89.02444	58.9
95.01393	1.0
97.02982	0.7
101.02450	10.8
111.77393	0.5
113.02456	10.7
117.01959	0.6
119.03490	10.2
122.29910	0.6
125.02428	0.8
131.03394	0.6
143.03493	2.8
149.04520	0.9
155.09436	0.7
161.04544	6.4
179.05627	21.4
239.07727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1653
Annotation	Chokol F
Peak:m/z	Relative Intensity
54.76257	0.3
57.03482	0.4
58.00620	0.6
59.01385	100.0
61.98831	0.8
71.01379	17.7
72.99306	0.4
73.02953	0.5
75.00874	0.5
85.02963	2.3
85.75729	0.4
87.00868	6.3
87.04247	0.4
89.01888	0.6
89.02440	17.2
89.02961	0.8
97.02951	0.6
99.00890	1.0
101.02427	3.4
104.95641	0.4
113.02438	3.0
117.01904	1.6
119.03526	1.8
125.02448	0.8
125.64465	0.4
132.83469	0.5
141.01819	0.6
143.03540	0.6
148.69011	0.4
154.77509	0.4
161.04567	4.4
177.04115	0.6
177.16554	1.6
179.05609	19.6
180.06035	0.5
195.11867	3.5
195.13898	1.7
239.10713	3.6
239.16554	12.8
245.83179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2018
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
59.01385	8.2
62.12154	0.4
64.57741	0.4
65.90592	0.4
70.11873	0.4
71.01392	0.8
92.12369	0.9
175.49414	0.5
190.01500	0.5
205.48524	0.5
239.20177	100.0
240.20418	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	241.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82875	1.7
55.09939	1.4
59.01385	40.8
59.96003	1.6
61.98537	2.4
61.98832	38.4
63.66532	1.7
71.01381	39.2
73.02936	9.7
78.95903	1.9
83.01368	2.1
84.90630	1.5
85.02945	2.9
89.02444	24.0
96.96924	1.7
101.02434	23.8
107.03651	1.8
113.02464	2.4
119.03468	3.2
125.03573	10.0
125.04676	44.0
151.05121	7.2
163.06168	2.6
181.05583	3.7
181.07179	100.0
221.83684	1.6
232.92136	1.7
241.08307	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
58.75180	1.6
61.98828	2.1
63.48278	1.7
63.57443	1.7
66.03486	23.0
68.01405	2.5
71.01347	2.8
78.95892	4.1
80.06338	1.9
82.02985	30.3
83.97407	2.0
86.62978	1.9
89.23141	2.0
94.03005	2.6
96.04541	2.6
96.72916	1.9
110.02477	100.0
111.01991	43.5
114.05565	3.8
122.02483	9.3
128.03595	2.1
128.28804	2.2
140.03534	14.8
140.91216	2.0
152.03532	20.8
153.03061	46.1
183.04248	2.1
200.05661	29.9
216.38155	2.2
243.06216	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
61.98836	4.4
63.82295	0.5
64.73625	0.5
67.01894	14.9
67.30346	0.4
70.04658	0.5
78.49281	0.5
83.05022	0.8
89.12325	0.5
105.07104	7.8
105.46579	0.6
115.05533	1.2
129.07104	54.7
130.07399	1.1
131.05009	2.4
139.05569	0.6
145.02989	0.6
155.08687	5.2
156.05798	4.9
157.06592	17.8
169.06616	1.0
171.04512	0.9
171.08177	7.8
181.06577	2.3
181.12465	0.6
199.07660	100.0
200.07965	3.1
243.06679	0.6
243.12332	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	243.1028
Annotation	Linderalactone
Peak:m/z	Relative Intensity
51.67947	1.0
59.01385	9.2
61.98602	0.9
61.98836	18.8
66.80458	1.1
68.05377	1.2
69.21793	1.1
102.63596	1.3
109.38131	1.2
111.15358	1.2
113.37006	1.2
158.27628	1.2
181.16026	6.4
199.09549	1.5
199.11305	39.9
199.13094	2.7
225.14958	2.3
227.21384	1.4
232.60797	1.4
243.10274	100.0
243.15858	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	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.95988	0.6
55.01881	1.0
55.11707	0.6
57.03464	1.1
59.01387	5.0
61.98840	8.4
71.01370	0.8
71.05025	5.1
83.05042	1.7
88.98109	0.8
92.12411	1.5
95.04996	0.7
97.02946	8.1
97.06579	2.9
99.00882	21.6
109.02888	1.0
109.06593	1.5
110.03731	2.9
123.08181	0.9
125.09721	8.3
127.11283	1.1
135.08112	1.1
136.05234	1.1
142.02731	4.6
143.32527	0.7
153.12778	1.1
155.14481	1.5
163.11276	11.7
179.10748	1.5
181.12349	30.1
199.13412	23.1
207.10286	61.9
208.10741	1.8
225.11339	83.5
226.11681	2.9
243.12384	100.0
244.12747	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	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.4
61.98843	14.2
67.01877	1.6
80.49499	1.1
83.84201	1.2
91.47849	1.3
97.02946	2.6
99.00876	11.7
116.71023	1.2
119.53256	1.4
125.09720	5.8
129.07109	10.2
142.02655	1.8
151.24171	1.3
155.08725	1.3
157.06577	2.1
158.06100	1.9
163.11290	6.6
171.08148	2.2
171.10265	1.3
181.12350	20.1
199.07661	38.4
199.13402	20.6
207.10263	33.8
225.11343	52.2
237.92967	1.4
243.12372	100.0
244.12733	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	243.1964
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
50.34523	0.5
54.82519	0.8
55.97498	0.7
58.54897	0.6
59.01387	100.0
61.05132	0.7
61.98823	0.8
64.12363	0.6
69.88895	0.6
71.71177	0.6
75.79252	0.7
83.24239	0.7
88.84075	0.7
90.83847	0.8
118.62103	0.7
124.73594	0.6
152.81604	0.8
157.07333	0.7
222.94380	0.7
243.19652	40.0
244.19936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1144
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
51.77974	1.0
53.96370	0.8
56.76651	1.0
58.02982	4.6
59.01384	12.7
61.98837	8.9
71.41763	1.1
74.02480	8.4
77.94080	1.0
78.95901	22.9
81.66230	1.1
82.02989	2.3
82.95415	1.2
84.04565	4.0
86.02461	1.1
87.00898	1.4
88.04053	1.2
88.70072	1.0
96.96021	5.6
96.96973	1.5
98.06141	1.1
99.92577	5.6
101.60548	1.0
102.05621	2.5
112.02760	1.0
116.01788	5.0
116.07173	100.0
116.92873	7.8
127.05141	7.7
128.03537	95.4
130.08745	5.4
139.08778	1.3
145.06207	1.9
150.05627	1.4
152.99577	9.6
156.96161	1.3
159.06366	1.2
165.10364	4.5
167.08215	2.3
171.00670	5.0
173.00505	1.5
183.11421	8.2
209.09401	15.5
227.10365	13.1
245.01778	1.6
245.04372	10.9
245.11482	19.4
246.95181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1184
Annotation	Asteriscunolide A
Peak:m/z	Relative Intensity
57.03448	1.7
59.01386	10.0
61.98832	2.4
64.34267	1.1
71.05002	1.1
83.26013	1.1
87.00853	2.5
91.70400	1.1
107.05027	7.4
123.08119	15.6
145.06577	8.0
165.09373	1.3
167.08707	1.8
174.99263	2.4
180.20525	1.1
183.08232	8.9
183.11755	9.1
185.09709	18.5
199.11298	48.9
199.13062	2.3
201.12886	32.7
202.89526	1.3
206.28711	1.1
239.62178	1.1
245.11856	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	245.1182
Annotation	Ryomenin
Peak:m/z	Relative Intensity
54.61849	1.2
56.62749	1.3
57.09074	1.1
72.66153	1.1
73.08637	1.2
85.50035	1.2
87.23325	1.2
119.04846	1.3
120.00772	1.5
145.06531	2.1
167.08656	8.6
183.11804	58.3
201.12889	16.5
211.07838	1.7
215.10951	1.6
226.85590	1.3
245.11845	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	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
53.72586	0.6
55.88347	0.6
57.03197	0.7
57.03459	14.8
58.00604	1.8
59.01388	10.8
61.98823	1.4
67.82091	0.7
69.03462	1.3
71.01369	1.4
71.05009	1.5
78.95892	3.3
83.04983	1.1
85.02955	6.1
87.00848	1.4
87.04509	47.2
95.04954	1.1
97.06567	3.1
99.04532	1.0
105.07065	1.6
109.01696	5.8
109.06586	3.5
111.08141	11.3
121.02917	1.0
123.04533	0.8
123.08125	4.6
125.09764	0.7
130.08716	17.8
135.08189	1.4
139.07654	1.5
140.10799	3.4
141.09254	6.7
142.08730	4.4
144.53734	0.7
152.99634	1.3
160.52533	0.7
163.11287	1.6
165.12865	3.0
171.00655	0.8
171.10278	1.4
174.99249	1.1
181.12291	3.4
183.59508	0.8
185.57813	0.7
199.13417	13.3
200.17717	0.7
201.14899	1.4
209.11841	1.6
210.07693	5.3
227.12836	6.6
228.08812	3.4
245.04512	1.0
245.13956	100.0
246.14264	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	Unknow
Peak:m/z	Relative Intensity
54.82618	0.6
58.00615	0.6
59.01387	61.4
61.64091	0.6
61.98823	1.3
62.02180	0.6
65.03959	1.1
66.44764	0.5
68.45955	0.5
72.99311	1.1
73.02943	0.8
78.95885	1.0
81.03453	3.3
83.05027	42.3
85.02946	0.8
87.00855	1.4
89.75827	0.6
90.07522	0.5
99.08176	2.7
127.11291	6.9
137.02522	0.6
139.11317	1.4
149.01176	1.3
152.99593	0.6
153.22534	0.6
155.10771	3.1
157.12341	27.4
164.03568	0.8
183.13934	1.2
185.11841	15.7
203.12915	100.0
204.13245	3.3
216.84033	0.6
245.13951	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	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82536	1.4
51.80196	1.4
57.03467	1.6
58.00602	8.1
58.30895	1.8
59.01387	87.8
61.98820	3.5
62.48764	1.8
69.03447	3.6
71.05023	92.9
71.70863	1.9
73.02943	9.1
78.95908	11.0
82.45475	1.8
83.05039	8.5
85.02953	30.4
87.00871	3.2
87.40555	1.8
92.11736	2.1
99.08159	47.4
117.03507	2.3
124.94270	1.9
127.07708	7.8
127.11289	16.6
129.09210	50.9
139.11288	11.8
143.10808	11.6
145.08791	1.8
152.99612	3.0
155.10745	2.0
157.12338	30.4
165.12819	4.3
174.99254	2.3
183.13823	2.6
185.11833	78.5
201.14980	16.1
203.12910	100.0
245.04388	4.5
245.11508	3.2
245.13963	59.4
246.14339	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	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03459	3.2
58.00594	2.6
59.01390	100.0
61.98829	2.4
71.01373	6.8
71.50139	1.3
73.02930	6.6
78.95892	10.3
83.05022	3.0
85.02993	1.7
92.65317	1.6
97.02917	3.7
99.08147	10.9
101.02434	2.6
113.09721	9.5
127.07588	1.8
129.09212	33.1
152.99565	7.3
165.12791	7.1
167.10789	7.5
171.00674	2.3
185.11815	7.4
201.08347	1.9
202.55612	1.4
227.12885	13.2
234.47800	1.9
245.04301	3.0
245.13945	50.6
249.88902	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	245.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42611	0.8
57.03464	1.6
59.01387	63.7
61.98827	1.9
63.86044	0.9
66.21880	0.8
73.53755	0.9
74.02480	1.0
78.95905	4.4
87.00866	1.6
88.02531	1.0
88.04054	8.9
123.08186	1.1
125.09644	1.1
127.11292	2.5
128.42830	1.0
139.11394	1.2
141.09256	1.6
152.99672	1.1
155.10774	5.0
157.12332	23.6
171.10214	1.9
174.99243	1.1
184.71419	1.0
185.11818	12.2
203.12917	100.0
204.13245	1.4
229.29640	1.1
245.04276	1.8
245.13966	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	245.1911
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.51326	0.2
56.30199	0.2
56.40161	0.2
59.01379	0.8
61.98819	0.2
66.63966	0.2
67.34856	0.2
69.94794	0.2
70.88784	0.2
113.30558	0.2
116.92844	1.2
127.08539	0.2
181.54800	0.2
224.16212	0.2
229.15988	2.9
245.19115	100.0
246.19443	6.4
262.73993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82467	0.6
54.82740	0.7
56.99878	0.6
57.07967	0.5
58.99596	0.9
59.01382	10.2
61.98825	0.9
63.27037	0.6
72.00905	17.2
88.59489	0.6
91.05509	0.7
96.96950	1.2
98.02454	3.4
99.92580	4.3
100.07688	1.1
107.23273	0.6
113.50502	0.6
114.05609	0.6
115.92052	2.5
116.01756	2.6
116.92843	1.1
130.08806	1.2
130.98044	1.3
146.08235	3.3
147.04524	54.8
152.69254	0.6
161.72542	0.7
164.07172	100.0
165.07487	1.1
166.67154	0.7
186.95667	1.4
193.73489	0.6
203.97481	0.6
223.31328	0.7
228.08705	1.3
246.07407	5.1
246.09885	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61046	0.2
59.01381	2.3
68.99817	0.9
71.43670	0.1
84.04527	0.4
87.00867	0.2
89.02468	0.3
90.97140	0.9
93.03436	0.2
96.99284	0.4
101.07209	0.5
117.03425	0.3
119.05022	100.0
120.05361	1.2
121.02956	1.0
130.08664	0.2
131.09079	0.2
132.98204	1.3
133.02943	0.2
139.04053	0.2
144.04546	0.9
145.02956	0.7
149.02432	0.4
151.04027	0.2
151.79814	0.2
159.04474	0.2
161.02458	0.3
165.01904	0.4
174.99271	1.1
186.95604	3.0
188.04788	0.2
203.03214	0.2
211.08014	0.3
247.10892	8.2
247.15332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.134
Annotation	Quadrone
Peak:m/z	Relative Intensity
53.13202	0.4
54.49419	0.4
57.03463	1.6
59.01385	3.7
59.17550	0.4
79.05521	0.6
89.02435	0.5
90.97100	1.1
97.02949	6.1
105.07073	0.5
119.61133	0.5
121.02894	0.8
121.06598	2.0
123.08199	0.6
132.98189	1.8
133.06566	1.0
137.09723	2.8
147.08157	1.1
149.09706	0.9
151.11340	0.6
157.06548	0.7
161.09724	4.7
161.13333	4.8
165.01926	0.5
173.09789	0.6
174.99303	1.0
184.13869	0.4
186.95633	3.0
187.11311	10.1
201.12801	0.8
203.14447	65.3
212.13225	0.5
247.13411	100.0
248.13670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1339
Annotation	Parthenolide
Peak:m/z	Relative Intensity
50.83121	0.3
53.99905	0.3
59.01383	0.6
59.08592	0.3
62.16824	0.3
65.11473	0.3
65.44626	0.3
67.73682	0.3
69.03093	0.6
69.03450	9.4
71.05008	0.5
76.25971	0.3
91.05518	0.5
107.05031	0.4
121.02946	12.8
123.08150	2.2
127.13889	0.3
130.44180	0.3
145.06581	1.1
146.48267	0.3
147.08179	2.2
165.12383	0.4
167.08688	2.6
169.10286	2.8
173.13359	1.7
183.11806	5.6
185.13347	7.7
186.95660	0.6
187.11230	0.7
188.11891	0.3
201.12866	3.5
203.14429	9.8
227.10805	7.0
229.12360	1.5
244.18707	0.3
245.11809	14.5
246.12067	0.4
247.13402	100.0
248.13725	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	247.134
Annotation	Quadrone
Peak:m/z	Relative Intensity
56.18835	0.4
59.01385	4.8
61.98820	0.5
67.01878	0.8
80.02680	3.9
80.03059	0.4
88.84221	0.4
89.02415	1.0
90.97137	1.1
93.03448	0.8
108.57214	0.4
119.04852	0.5
121.02916	3.1
132.98174	1.9
147.08160	5.3
147.11884	0.6
149.09723	18.1
161.09717	1.0
165.01964	1.0
174.45981	0.5
174.99232	1.5
175.11296	2.7
175.14851	0.5
185.13362	1.8
186.95599	4.6
187.11253	3.4
188.11951	0.5
201.12901	5.6
203.14435	100.0
204.14731	1.1
208.99295	0.5
219.13991	0.8
247.13394	67.6
248.13779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1342
Annotation	3-Hydroxy-14-calamenoic acid
Peak:m/z	Relative Intensity
59.01391	5.1
77.04008	0.6
82.27159	0.7
83.53667	0.6
89.02435	0.6
92.62933	0.6
96.65154	0.6
97.02935	2.7
102.40270	0.6
103.39368	0.6
107.05029	0.8
109.63455	0.5
110.30601	0.5
121.02975	1.4
123.08115	1.0
125.09722	16.7
132.98190	1.1
149.09726	83.6
174.99222	0.8
175.11288	3.0
186.95645	3.9
203.14445	100.0
204.14716	0.7
218.59012	0.6
221.15468	1.1
247.13408	88.8
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	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
54.92740	0.2
59.01370	0.2
63.48333	0.1
104.97068	0.2
120.40522	0.2
172.49411	0.2
205.16010	0.4
220.17105	0.8
231.13907	0.4
247.17056	100.0
248.17397	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	248.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71826	0.2
59.01380	0.5
72.99275	0.2
75.00874	0.4
84.04573	0.3
84.39465	0.2
93.03459	0.3
93.04238	0.2
102.05612	5.4
102.06256	0.4
117.03456	1.4
119.05018	100.0
120.05341	0.4
128.03548	3.1
145.02957	3.7
160.02277	0.3
162.05602	0.6
173.54402	0.3
228.14020	0.2
248.09296	3.9
248.11948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
50.29588	0.6
54.24902	0.5
59.01368	4.3
61.98822	1.6
66.55872	0.7
77.42712	0.6
79.95728	0.8
87.00869	0.8
97.02911	3.1
130.94368	0.9
132.61443	0.7
149.09740	4.3
165.95728	0.8
166.07568	0.7
203.14445	6.1
231.13905	7.4
247.98793	0.8
249.14967	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	249.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47253	0.3
59.01379	0.7
61.98834	0.6
62.37476	0.3
69.03458	16.5
71.01353	0.5
85.02936	1.5
86.40547	0.3
97.02938	3.0
99.00894	0.4
113.02460	5.2
116.34864	0.3
121.02972	5.1
135.08125	0.7
151.11284	9.6
187.14941	2.7
203.14427	2.3
205.15987	20.4
231.13908	9.9
239.61937	0.4
249.14980	100.0
250.15326	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53854	1.2
59.01369	9.5
59.26033	1.8
61.98819	11.4
64.34153	1.6
69.03463	3.9
76.61300	1.4
78.80389	1.4
87.00849	4.0
118.30038	1.9
121.93691	2.0
130.94316	2.5
133.02971	2.0
133.10118	1.6
141.55673	1.9
151.11363	2.5
168.47369	1.6
205.15828	2.2
249.14980	100.0
261.28250	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	249.1495
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
59.01374	7.2
61.98819	6.1
67.19665	1.3
73.02930	1.9
76.05634	1.3
79.95731	12.6
83.10668	1.4
94.77901	1.4
113.60959	1.4
120.10500	1.5
130.94394	2.0
147.94704	1.8
187.14920	2.5
201.12871	2.4
203.14426	2.4
207.38426	1.5
248.93054	1.7
249.14992	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
57.50349	0.6
59.01373	3.4
61.98832	0.9
62.96454	0.5
66.09315	0.6
76.51342	0.6
80.19349	0.6
86.90265	0.6
96.51640	0.7
148.53859	0.6
185.25536	0.7
205.15912	6.2
205.19545	0.8
231.17509	0.8
247.17224	0.9
249.15005	6.9
249.18597	100.0
250.14600	3.4
250.18948	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	249.1862
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.20500	15.4
59.01376	65.7
61.98826	89.3
68.80135	14.9
87.00891	17.0
100.89509	15.5
101.94848	15.4
116.92870	19.1
134.56631	13.7
137.07321	19.6
141.31949	13.3
149.57285	16.6
189.29857	18.8
205.19621	100.0
232.00372	17.8
248.97226	22.3
249.14902	25.3
249.18608	59.9
250.14499	32.8
268.89316	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
66.57981	0.2
71.01379	6.2
82.15643	0.2
88.04041	0.4
92.02535	1.6
92.11799	0.5
94.30289	0.3
107.03624	7.9
115.00362	5.7
119.03614	0.4
130.08711	3.3
133.03940	4.9
134.04716	100.0
135.05121	0.7
138.59021	0.3
146.04695	1.3
155.73073	0.3
160.06294	2.2
162.07831	7.5
173.43823	0.3
188.05774	1.5
206.06845	2.2
232.04716	5.1
250.05807	13.2
254.79163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.7
59.12736	0.6
68.37836	0.5
71.01382	9.2
73.81986	0.6
76.61128	0.7
88.04046	100.0
91.05531	2.5
103.92052	0.8
114.01971	4.8
115.00372	17.2
120.33270	0.8
130.94357	5.3
132.03026	93.0
133.02994	0.7
134.03789	0.8
134.04700	0.8
135.04572	4.8
135.05547	0.7
145.96706	1.0
147.94647	1.5
165.95718	3.2
189.95726	0.8
206.08260	0.8
207.96788	4.4
250.07176	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97128	0.4
56.84557	0.4
59.01389	5.4
61.98821	0.6
70.02983	0.5
70.04100	0.4
71.01382	9.2
87.92514	0.6
88.04037	100.0
90.77635	0.4
91.05517	2.3
103.92020	2.2
104.91983	0.5
106.09830	0.4
114.01981	4.7
115.00368	15.9
115.01163	0.8
119.05023	0.8
123.04512	1.9
123.94659	0.8
124.04868	1.7
130.94376	6.4
132.03023	89.7
133.02988	0.5
134.06110	0.7
135.04521	4.5
138.47415	0.5
145.96759	1.9
147.94632	3.0
165.95714	4.1
167.03505	2.6
168.03806	3.0
177.02023	0.5
181.81758	0.5
189.95738	0.8
206.08235	2.5
207.96782	3.6
250.07239	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	251.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58585	0.3
54.69039	0.3
54.82638	0.3
55.01889	0.8
56.56023	0.3
57.03442	0.8
58.00609	0.7
59.01385	46.8
63.99946	0.3
65.78889	0.3
67.26785	0.3
67.69248	0.3
71.01378	26.2
72.99290	1.4
73.02940	2.4
78.95895	0.4
79.95739	0.7
80.96505	0.5
83.01394	1.8
85.02947	8.6
87.00874	1.8
87.04500	0.4
88.02966	0.4
88.98798	0.7
89.02437	100.0
89.94646	0.3
95.01385	0.8
99.00880	0.4
101.02434	11.9
103.04017	0.5
106.98098	0.7
113.02442	8.4
119.03476	6.7
121.02927	0.8
124.00770	0.4
128.03513	0.8
131.03496	2.2
143.03566	0.6
145.06616	4.1
161.04614	0.6
163.38733	0.4
179.75015	0.3
189.05542	2.0
190.01788	2.9
251.07730	80.8
252.08098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72853	1.6
55.01882	14.1
57.03440	8.5
59.01385	100.0
59.01686	3.3
61.98830	17.7
69.03427	1.8
71.01385	68.8
72.99309	3.4
73.02950	23.2
75.00851	3.1
78.95934	1.6
82.95415	3.0
83.01393	18.3
85.02953	42.5
87.00889	2.4
89.02451	26.7
95.01381	8.0
96.96017	3.9
99.00864	13.0
101.02444	58.2
111.00875	2.5
113.02437	26.7
119.03480	4.5
121.02943	3.0
125.02416	2.5
129.01898	7.8
130.50217	1.8
131.03465	2.3
145.06592	27.5
159.02963	7.8
161.04541	30.0
189.05518	13.2
251.05910	2.5
251.11359	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	251.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	16.5
57.03444	6.1
58.00608	2.9
59.01387	100.0
61.00541	2.1
61.98838	2.9
64.35010	2.5
71.01384	88.6
73.02951	30.3
75.00866	3.0
83.01402	19.5
85.02956	46.2
87.04514	3.9
89.02434	32.2
95.01403	4.0
96.96035	10.2
99.00870	14.0
101.02440	82.3
113.02473	32.3
119.03487	2.6
129.72403	2.6
129.73535	2.4
135.05170	2.5
145.06606	13.2
159.03023	13.6
161.04558	32.7
176.83054	2.6
189.05479	4.8
221.53952	3.0
251.11398	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
51.60130	0.5
57.25837	0.5
59.01371	0.7
62.65109	0.6
64.34527	0.7
67.97771	0.6
71.06351	0.6
233.19183	1.0
251.20164	100.0
252.20457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2019
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01377	2.8
59.63227	0.5
59.98533	1.1
71.01378	1.0
72.00232	0.5
84.02174	2.5
85.02943	7.0
85.30440	0.8
87.00867	0.6
216.46808	0.7
237.78372	0.8
251.20180	100.0
252.20563	1.0
264.26315	0.7
272.30243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98816	0.8
65.68797	0.6
71.01365	1.0
72.87323	0.6
73.02905	0.8
73.74615	0.7
89.02444	1.0
89.85838	0.6
91.03992	1.2
97.46605	0.7
101.02431	1.3
115.97337	0.7
124.69766	0.7
133.02959	37.3
134.03696	4.0
135.04527	17.8
137.02446	3.0
149.09700	9.5
152.76645	0.7
161.02438	84.4
161.04596	3.7
179.03481	3.9
193.07149	12.0
223.16246	0.8
253.07178	48.2
253.21860	1.4
254.07489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53370	0.6
58.71121	0.6
59.01383	8.7
64.34644	0.7
76.57806	0.8
80.84363	0.9
89.02425	1.7
91.04022	1.5
92.65464	0.8
133.02948	37.8
134.03755	5.5
135.04514	49.1
137.02455	0.9
142.33618	0.7
156.57646	0.7
161.02438	100.0
162.90625	0.8
179.03497	14.3
179.96919	0.7
228.87819	0.8
253.07179	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70621	0.4
59.01385	11.1
59.03037	0.4
64.34699	0.4
89.02428	1.0
91.04015	1.8
93.03471	0.4
98.90570	0.5
105.03466	0.6
110.04465	0.5
132.02170	0.8
133.02936	33.5
134.03743	5.2
135.04503	18.8
137.02403	3.0
139.03995	0.7
150.03282	0.7
161.02432	100.0
162.02763	1.0
163.01465	0.5
178.02679	1.8
179.03497	5.9
189.64377	0.5
193.07245	0.5
253.07156	52.9
254.07539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50116	0.2
59.01385	100.0
63.62112	0.3
71.01392	1.5
72.99318	0.7
77.35851	0.3
86.00845	0.3
86.26606	0.3
89.01782	0.3
89.02422	1.2
96.05063	0.3
96.57756	0.3
101.02458	0.6
193.07182	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	253.1082
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
51.69306	0.8
57.03448	1.6
58.31609	0.7
59.01107	1.3
59.01387	30.1
71.01385	1.0
89.02470	0.9
89.46803	0.8
90.38557	0.8
91.04018	2.0
105.07072	1.1
107.05016	1.0
109.02942	4.6
109.06599	1.8
110.03731	0.9
111.04535	1.1
122.03724	1.3
123.08151	1.2
124.05289	6.0
125.06075	10.2
133.02943	37.7
134.03685	3.9
135.04524	56.9
137.02423	3.2
139.07635	6.8
147.08159	44.7
149.06075	5.3
149.09744	1.9
151.07639	4.5
158.07372	7.9
161.02449	100.0
161.06071	5.4
164.08434	17.2
165.09204	49.6
173.09705	14.9
175.07648	7.2
176.90471	0.9
179.03511	17.3
182.05879	2.0
191.10797	55.4
193.07191	1.7
207.10191	1.1
209.11848	43.3
253.07182	74.9
253.10808	73.5
253.14793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.108
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03446	4.7
59.01106	1.4
59.01382	28.1
62.33622	0.8
62.67418	0.8
69.01633	0.9
71.01368	0.9
73.08340	1.0
81.03440	1.2
83.05032	1.6
89.02444	1.8
91.03997	1.9
92.12501	2.2
105.07070	1.3
105.80139	1.1
109.02929	6.1
109.06579	3.9
122.03709	1.5
124.05276	6.9
125.06057	8.9
133.02940	43.2
134.03705	5.5
135.04512	61.1
136.05275	1.0
137.02463	2.4
139.07649	9.3
147.08154	45.1
149.06116	7.1
149.09711	2.5
151.07632	5.7
157.06715	1.1
158.07414	8.1
161.02440	100.0
161.06099	5.0
164.08430	17.5
165.05591	1.3
165.09204	62.6
173.09671	19.6
175.07614	8.6
176.08418	4.2
179.03514	15.5
182.05783	3.8
190.09680	1.0
191.10770	66.3
193.07130	2.0
208.07324	1.6
209.11845	53.6
253.07181	76.1
253.10805	86.4
254.07452	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	253.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
57.03466	1.7
58.59998	0.5
59.01388	100.0
60.01706	0.4
61.98849	0.6
63.76323	0.4
69.03468	0.4
71.01386	0.8
71.05024	0.6
73.02944	1.5
80.96559	0.5
81.03492	0.8
83.05053	1.8
85.02982	2.2
87.04541	0.5
93.03487	0.7
97.02945	0.5
99.00885	0.7
101.02433	2.2
105.07130	0.4
107.05000	3.5
109.02947	0.8
109.06577	0.7
111.04550	0.6
120.05865	0.7
121.06604	2.1
123.08200	1.9
125.06062	1.5
135.04573	2.5
136.05325	1.9
147.08174	4.0
149.06133	0.8
149.09705	0.7
150.06825	3.8
151.07646	0.9
158.07330	3.2
161.04601	2.5
161.06062	1.0
165.09198	55.2
166.09523	0.5
172.05270	0.5
173.09755	2.3
175.07713	2.2
176.08405	4.1
182.05888	0.6
191.07202	1.8
191.10803	5.8
193.07182	12.8
193.08881	0.7
200.17400	0.6
209.11998	0.9
217.10915	1.8
237.25523	0.5
253.10840	17.2
253.21802	0.9
272.70047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2173
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
50.58492	0.7
54.82305	0.8
59.01370	3.8
83.51776	0.8
92.11777	1.2
101.34795	1.0
102.51086	0.8
131.99655	0.8
181.73178	0.9
211.92958	0.9
235.20699	1.8
253.21719	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	253.2174
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01383	1.6
137.33823	0.2
174.12830	0.2
191.04964	0.2
193.07181	0.2
222.65161	0.2
253.21754	100.0
254.22118	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51807	1.5
59.01385	28.8
66.80502	1.4
77.20652	1.7
92.05054	1.7
104.84903	1.6
129.05811	1.9
130.06609	13.6
145.50748	1.6
161.04892	3.1
161.61491	1.8
173.11778	2.3
174.05591	96.9
174.12230	2.4
181.43642	1.5
189.07315	1.9
196.03813	19.5
204.09485	1.6
255.23303	100.0
256.05881	6.9
256.23636	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0781
Annotation	Spongothymidine
Peak:m/z	Relative Intensity
59.01370	11.0
65.99825	1.7
69.49453	1.5
78.83898	1.4
81.02188	23.2
88.04044	2.9
92.01397	3.9
94.02950	7.4
101.23281	1.8
101.60769	1.6
109.01686	28.2
111.01991	3.1
118.63664	1.8
124.04032	58.6
127.08727	1.6
127.21275	1.5
142.05045	2.4
146.08179	2.3
147.08600	1.9
160.04027	10.0
166.05118	2.0
198.59032	1.8
214.07222	100.0
215.14336	1.6
219.10757	3.0
219.84584	3.2
221.84273	12.1
222.03986	2.5
256.23611	11.6
257.07755	25.0
257.11465	6.7
261.05643	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79871	3.9
59.01379	48.5
59.01603	3.8
71.01375	8.5
75.00877	6.2
78.95940	6.2
81.02219	18.8
88.04026	20.9
109.01688	32.7
112.03970	6.8
115.10609	5.8
116.92842	7.5
124.04027	57.7
127.05141	7.2
128.03499	22.2
137.02431	9.1
146.08240	23.8
147.04633	5.2
147.08569	11.2
147.98416	5.5
150.05656	9.3
160.04054	56.0
162.01950	29.1
178.05179	5.6
196.92468	5.6
214.07214	100.0
218.10413	20.9
219.10690	30.6
221.84311	6.3
222.04073	36.2
222.45056	6.4
239.10368	5.7
256.23630	48.4
257.07797	23.2
257.11401	61.8
257.23886	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	257.176
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03457	7.2
57.93190	0.7
58.00602	3.4
59.01387	38.1
59.01687	1.3
59.66679	0.7
61.05781	0.7
71.01379	29.4
71.05018	10.5
73.02943	29.0
73.40022	0.9
81.03441	1.8
83.05010	7.0
85.02932	1.2
85.06595	0.9
97.02930	7.7
97.58930	0.8
99.04505	3.2
101.06062	18.3
111.61243	0.8
115.03970	1.7
115.44096	0.7
127.03968	1.3
145.05064	12.4
167.14386	1.6
195.17537	1.0
197.08702	0.7
211.88052	0.8
221.15477	1.0
239.16539	16.9
256.23743	1.8
257.17599	100.0
258.17697	0.9
261.62592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1761
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
52.50344	1.5
53.57270	1.5
53.68801	1.7
58.00594	14.7
59.01389	13.6
61.98822	2.5
64.55328	1.6
66.94657	1.7
67.08878	1.9
68.56595	1.6
70.18678	1.8
73.69576	1.7
75.00871	2.9
85.02949	93.0
96.96964	2.2
131.33025	2.2
139.11281	20.6
141.12862	74.4
161.42976	1.9
169.12270	10.1
171.13910	100.0
177.16418	2.2
195.17569	51.6
215.45784	2.3
219.84564	3.2
221.84221	4.6
222.97044	2.0
234.40347	2.3
239.16512	3.3
256.23520	4.0
257.15021	3.3
257.17603	78.1
257.23712	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	259.0975
Annotation	Pleurotellic acid
Peak:m/z	Relative Intensity
55.81554	0.3
59.01365	0.4
78.14534	0.3
81.84124	0.4
89.69707	0.3
101.81287	0.3
111.04504	2.2
117.18999	0.3
119.03268	0.3
122.30325	0.3
148.22363	0.3
159.04510	1.6
171.12854	0.4
171.37679	0.4
181.06590	0.5
182.07355	1.8
185.06052	3.4
185.09680	0.8
197.09717	12.3
200.08499	0.5
215.10799	100.0
259.09760	49.6
259.12619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82556	1.4
55.83393	1.3
59.01388	30.7
64.97589	1.4
69.98640	1.5
76.58082	1.5
80.86397	1.5
87.89214	1.5
92.11713	2.9
92.12257	5.2
98.63264	1.8
113.02422	2.5
121.21484	1.5
131.47456	1.6
132.21603	1.7
134.23659	1.5
137.09714	3.8
150.86084	1.4
155.10776	100.0
171.10269	36.3
197.11852	2.4
199.09770	29.0
215.12833	7.2
217.10834	80.1
259.11826	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	259.1914
Annotation	Ipurolic acid
Peak:m/z	Relative Intensity
57.56776	0.4
58.00601	2.2
59.01381	4.2
67.70400	0.4
71.01372	2.6
71.05017	13.5
80.15038	0.5
83.05038	0.6
87.04518	2.8
95.78851	0.5
97.02935	1.0
99.04524	0.9
101.06077	9.2
113.02467	0.6
120.97884	0.5
141.11754	0.9
141.12863	25.3
142.80284	0.5
148.67252	0.5
171.13910	3.6
183.17513	3.9
185.15454	2.6
195.17569	2.4
197.19170	0.6
211.17038	0.6
213.18623	10.4
213.20515	0.8
241.18082	3.7
257.17645	3.0
259.19162	100.0
260.19434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0412
Annotation	Ancistroquinone F
Peak:m/z	Relative Intensity
54.15091	1.2
59.01382	12.9
59.68644	1.4
61.98827	1.6
72.00896	9.6
74.02462	23.5
82.15919	1.6
82.85418	1.5
101.78365	1.6
116.05053	66.6
119.05051	2.1
135.04436	1.5
138.08133	1.4
142.06589	19.0
159.09261	11.9
186.05624	2.5
203.08284	100.0
219.12442	3.6
225.06371	6.4
245.95531	1.9
261.01315	3.2
261.04138	51.7
261.13431	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	261.1132
Annotation	Parthenin
Peak:m/z	Relative Intensity
53.95361	0.6
59.01371	4.0
60.23243	0.7
62.18996	0.7
81.56635	0.9
111.09434	0.8
117.03461	0.8
119.05026	4.5
125.06066	3.1
161.09731	1.3
165.09161	1.1
169.10208	0.9
170.07356	1.4
171.11765	3.1
175.14172	0.7
185.09756	4.0
187.11343	5.6
197.09756	0.8
199.11307	5.1
215.82899	0.9
217.12378	6.8
261.11334	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	261.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74009	0.5
59.01371	1.0
67.24055	0.4
67.65500	0.4
68.19913	0.5
71.05000	2.8
143.05074	0.7
171.11783	0.7
181.10255	2.2
183.08133	2.9
199.11293	72.9
217.12349	37.8
236.05396	0.6
261.11319	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	261.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79818	1.4
58.79964	1.2
59.01389	15.2
61.29462	1.3
71.04994	2.6
74.26263	1.5
82.91668	1.3
83.05003	1.6
91.05520	1.6
91.38081	1.4
95.05003	2.9
97.02924	1.6
109.06587	13.4
121.02960	12.6
124.05294	18.9
127.19604	1.5
128.09138	1.6
131.04991	2.6
135.04536	19.2
138.06870	6.6
139.07646	9.4
145.06601	3.5
156.05812	2.0
160.05356	1.8
170.05867	2.8
181.10281	1.7
183.08141	19.5
187.55779	1.4
199.11304	25.5
201.09186	2.6
215.09021	1.8
215.10805	13.1
217.12311	29.9
227.07123	38.3
243.10240	54.7
259.09796	5.9
260.06915	2.6
261.11331	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	261.1133
Annotation	Complicatic acid
Peak:m/z	Relative Intensity
52.92539	0.8
53.08949	0.9
54.18373	1.0
59.01379	4.7
64.34258	1.1
71.01360	1.0
71.05015	1.4
76.73143	0.9
81.75183	1.1
83.01388	6.1
113.02451	1.2
120.95218	1.0
135.52893	1.1
142.17209	1.0
145.06604	21.0
161.09747	8.4
183.08159	7.0
199.09441	2.5
199.11290	65.7
215.10822	4.8
217.12309	20.1
261.11337	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	261.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30558	7.7
59.01390	100.0
77.95231	7.6
92.11794	16.2
92.65047	8.8
96.96925	10.4
121.02969	13.0
136.94011	10.3
144.81488	8.8
145.02968	14.5
201.87946	10.7
219.12363	8.9
254.85667	10.1
261.13535	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
60.17953	0.3
61.60403	0.3
61.98832	0.5
63.56626	0.2
66.17525	0.2
72.00876	1.0
75.00864	0.7
78.95898	63.6
82.95422	0.4
92.12366	0.6
96.96952	100.0
102.58756	0.3
103.92010	0.5
113.92638	0.4
145.96718	0.5
147.04517	4.4
152.46375	0.3
160.04059	0.4
164.07176	7.7
174.05515	0.4
211.47346	0.3
262.97339	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	262.9727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82620	0.2
59.01380	0.4
62.96405	0.3
63.42942	0.2
78.95896	100.0
80.05518	0.2
96.96945	38.8
130.63921	0.3
134.98514	0.3
158.92519	1.5
164.99548	1.8
183.00673	1.5
253.76839	0.3
262.97263	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0597
Annotation	sulfamerazine
Peak:m/z	Relative Intensity
57.23539	0.5
59.01384	10.7
64.11528	0.5
65.03971	0.6
67.01887	4.9
69.03442	2.7
71.05018	9.5
79.95734	3.3
80.96525	0.8
82.95395	0.8
83.48032	0.6
85.06580	2.3
91.05511	0.7
95.95226	100.0
96.96003	51.6
96.96645	0.8
103.81261	0.6
107.05051	1.1
117.07044	0.7
119.08691	2.3
120.05777	0.6
121.02969	6.4
121.06638	0.7
121.10252	1.1
129.07149	0.8
129.31194	0.7
133.06592	0.7
134.03725	2.5
135.08093	0.7
139.07666	6.4
145.06592	2.9
147.08127	8.3
149.06082	1.2
150.06479	1.0
161.09735	1.3
163.07632	3.9
163.11287	7.1
164.01517	6.8
173.06090	0.7
183.08153	0.6
183.10320	4.3
185.09720	3.1
186.10541	0.7
187.42606	0.6
189.05611	3.1
191.07112	6.1
199.11353	0.9
201.09309	0.8
201.12880	3.2
219.06982	5.0
235.20145	0.7
243.10155	1.0
244.93431	0.8
245.04958	0.8
245.11752	0.8
263.05960	75.5
263.12878	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1287
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
50.54105	0.4
54.36944	0.4
54.82540	0.4
59.01107	0.5
59.01384	7.7
63.55184	0.5
64.34307	0.5
65.42750	0.5
92.11671	0.8
119.04997	1.9
121.02976	0.8
123.08154	5.2
141.09200	9.7
145.10233	1.2
162.63957	0.6
171.11887	0.7
173.09824	0.5
183.11815	0.8
185.09763	2.0
187.11226	0.7
201.12794	2.0
219.13910	67.2
220.14363	0.9
263.12878	100.0
264.13190	1.0
269.70572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10421	1.7
59.01158	1.7
59.01379	32.2
67.05466	1.9
68.94065	1.7
82.95380	2.4
95.58513	2.0
139.00337	2.0
141.08105	2.7
141.09195	82.2
148.17719	2.2
157.64294	1.8
181.55251	2.1
219.13870	52.0
220.48914	2.6
223.92609	1.8
263.10141	4.2
263.12872	100.0
267.13348	2.0
273.62625	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	263.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01154	0.4
59.01383	9.1
59.54172	0.5
61.98840	0.5
69.56049	0.5
81.03447	1.1
95.05035	4.3
97.02937	3.3
101.06261	0.5
103.92683	0.5
109.06597	4.7
111.04531	0.9
121.06641	1.0
123.04539	5.3
124.05286	34.7
124.06210	1.1
127.34570	0.5
138.06857	56.1
139.07648	100.0
152.69130	0.5
165.09183	2.6
185.09740	2.8
199.11237	0.5
200.82948	0.5
201.12895	15.5
206.89845	0.5
219.13921	17.1
245.11818	1.0
263.12903	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	263.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76733	0.5
52.93395	0.6
57.03450	2.5
57.50488	0.6
59.01373	4.0
59.78876	0.7
59.86053	0.7
61.43948	0.6
63.43316	0.7
69.61589	0.6
71.04995	0.8
74.42513	0.6
88.57342	0.6
95.05005	0.9
97.02940	34.9
97.06539	0.9
106.04221	0.8
107.05029	4.0
109.06591	3.5
111.08147	2.8
119.05013	0.7
121.06596	20.7
123.08140	7.1
135.08163	3.9
137.09727	1.6
147.08112	0.9
148.83559	0.7
149.06073	44.2
159.11836	0.9
165.09196	100.0
175.07582	2.4
176.08438	1.2
177.12840	1.4
178.10054	0.9
185.09772	1.1
189.12726	0.9
201.12881	7.6
203.10835	9.2
219.13901	46.1
229.68877	0.7
236.10555	0.9
263.12891	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91819	1.5
57.08691	1.5
59.01389	28.1
69.03471	13.9
71.01390	1.6
92.31755	1.6
101.02449	1.6
118.13417	1.7
121.06572	2.4
123.08276	2.0
125.06085	4.1
131.18515	1.7
136.05263	12.3
136.12950	1.7
137.09697	7.0
151.07581	2.2
161.09726	2.9
163.07603	2.2
174.12248	2.2
185.09673	8.4
189.09158	7.0
201.12900	25.8
203.10791	35.3
204.11583	63.1
208.14020	1.8
219.13898	43.4
224.98845	1.8
245.11876	2.0
263.12888	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.8
59.01381	77.6
59.10947	2.0
60.84571	2.2
61.38932	2.3
63.78357	2.0
71.01388	3.8
76.57295	2.5
77.71248	2.4
79.05534	3.0
80.68302	2.1
82.95446	2.4
83.05047	2.9
86.95927	2.2
92.12315	3.4
97.02946	10.2
107.05052	3.3
108.05796	4.0
109.02953	5.4
109.06590	3.1
111.04516	5.4
113.06087	5.5
119.08640	3.0
121.06561	2.8
122.03731	20.9
123.08165	5.0
125.06055	22.1
135.08156	3.5
136.05290	22.6
137.06073	13.2
138.06836	24.7
139.07652	33.6
148.05324	14.1
149.06151	3.9
151.07639	83.6
151.08749	4.1
152.04770	4.2
152.08420	44.4
153.09259	12.1
161.09731	9.8
163.07616	30.5
167.07155	3.1
185.09686	3.5
186.10443	4.2
189.09161	15.5
201.06050	2.6
201.12840	34.0
203.10820	45.2
204.11562	73.3
219.13914	100.0
263.12997	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	1.3
59.01383	21.5
60.43279	0.8
67.01885	8.0
69.03437	5.8
71.05016	20.0
73.25231	0.9
79.95731	1.8
83.61901	1.1
85.06573	4.5
93.07056	1.1
95.95219	16.2
96.95993	8.1
105.34277	1.0
107.04950	1.3
117.03427	1.3
117.07112	1.6
119.05008	1.7
119.08648	5.0
121.02942	13.1
122.23292	1.0
123.08136	1.2
129.07129	1.4
132.05724	1.2
139.07648	13.1
145.02966	2.5
145.06619	4.8
147.08165	16.8
161.09740	4.3
163.04042	1.3
163.07643	7.5
163.11275	13.3
185.09677	8.7
189.05576	6.0
191.07127	15.7
199.11340	2.7
201.09187	1.4
201.12874	4.3
214.57785	1.3
217.12508	1.2
227.13023	1.4
257.38358	1.2
261.11411	2.0
263.05859	10.8
263.12885	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	263.1401
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
59.01374	4.2
71.11520	0.9
90.80705	0.8
124.66576	0.8
133.02950	3.9
134.03751	13.0
135.04503	7.2
137.02452	1.2
147.04420	1.1
148.05305	11.5
149.06070	1.6
161.02426	1.7
161.06067	8.0
162.03200	1.0
162.05557	5.2
175.02786	4.5
176.03522	6.3
178.05165	1.0
190.05125	9.9
198.09824	0.9
204.06639	14.7
205.11032	2.1
215.74174	1.0
218.08189	0.9
247.10883	92.0
248.11659	100.0
254.66489	0.9
263.13995	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1401
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
59.01388	32.3
61.98825	1.6
64.13767	1.3
73.02942	1.8
78.95913	1.9
82.95402	6.5
84.11224	1.4
87.37371	1.6
87.58495	1.3
96.96944	3.0
97.01739	1.3
100.83435	1.8
119.05025	2.2
133.02986	3.6
134.03719	9.0
135.04501	3.8
148.05318	10.7
159.04507	2.0
160.45641	1.5
161.02492	1.7
161.06143	3.6
162.03288	1.6
162.05663	1.9
165.73347	1.6
175.02760	2.4
175.07793	1.5
176.03479	9.1
190.05130	6.2
198.48181	1.6
201.05580	1.9
204.04346	1.6
204.06708	10.6
205.11098	2.3
218.08064	2.0
247.10881	89.7
248.11656	100.0
263.14014	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.15
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.46912	1.4
53.40347	1.3
53.75893	1.4
57.03454	2.8
59.01389	100.0
65.03983	12.3
73.02951	1.7
81.03480	2.4
82.95397	1.9
83.05025	20.6
85.02955	68.1
89.19613	1.7
99.08170	3.9
110.87938	1.7
127.03999	2.5
161.26929	2.0
183.19699	1.7
221.92412	2.0
245.13956	2.3
263.15030	34.9
278.64630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.00319	0.3
59.01390	3.7
61.98837	2.0
62.05849	0.3
63.83417	0.4
67.02566	0.4
67.39454	0.4
71.01386	0.5
82.95434	0.4
116.39000	0.4
203.03023	0.4
245.71663	0.5
263.20157	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	264.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76941	0.5
59.01367	3.7
61.98819	1.3
74.67228	0.5
78.20612	0.6
89.63029	0.6
91.05480	1.4
102.05597	91.2
103.79512	0.6
128.03523	66.0
135.04520	3.1
146.04587	100.0
157.64471	0.6
236.05762	0.8
246.07675	1.2
264.08789	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	264.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.2
64.27419	1.6
64.34859	1.5
65.05747	1.5
70.02967	7.0
72.00910	14.5
72.04530	2.4
74.96297	1.7
75.94234	1.5
84.04549	2.6
91.05527	3.4
98.02472	49.8
98.87276	1.7
99.00893	2.2
111.03259	25.9
114.01963	2.8
116.05058	1.7
117.03442	3.7
121.02890	3.0
133.02980	1.7
134.03740	68.6
135.04521	16.7
136.05299	3.4
147.04526	55.2
148.05304	26.5
149.06087	32.3
150.03296	1.8
150.37210	1.7
160.02283	1.7
161.02463	8.6
161.06082	11.2
162.03241	11.9
162.05600	3.3
164.07172	86.0
169.24231	1.8
175.02769	6.8
176.03539	6.9
177.05573	10.8
177.07977	9.5
184.07660	32.3
190.05147	11.9
194.02261	2.5
202.08771	28.6
204.06665	14.3
220.09827	12.2
242.99759	2.0
246.07710	35.0
248.09283	100.0
249.10089	59.2
264.08807	23.7
264.12427	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03463	0.9
58.00581	1.6
59.01384	100.0
60.02823	1.0
71.01381	42.0
72.99285	2.2
85.02945	33.5
85.04070	1.0
89.01891	1.8
89.02439	55.2
95.01363	4.0
101.02427	19.3
112.13790	0.8
113.02434	17.4
119.03498	18.2
119.95152	0.9
141.37639	0.9
143.03479	1.0
146.78101	0.8
161.04594	1.6
179.05641	7.3
205.03899	1.1
221.09373	1.6
265.09357	10.8
265.11728	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	265.1444
Annotation	[2S-(2alpha,4alpha,4aalpha,5alpha,8abeta)]-Decahydro-4,5-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
52.66568	1.2
59.01377	5.5
61.52612	1.0
62.54451	1.2
66.74098	1.1
69.03092	2.2
69.03462	43.5
71.23961	1.2
81.03443	1.3
83.05014	5.2
95.05003	2.0
97.02943	6.3
97.06588	1.4
104.17393	1.3
106.09940	1.1
109.06567	1.7
111.08167	9.6
115.07156	1.2
119.18922	1.3
121.02934	1.7
121.32253	1.1
123.08182	2.1
125.06059	5.8
125.09715	8.7
137.09717	1.5
139.07594	1.6
151.11302	1.8
154.30658	1.2
185.13431	1.8
198.83997	1.3
201.12926	2.6
203.14445	50.6
205.15981	3.1
221.15483	16.7
229.12262	1.7
247.13551	9.3
265.14438	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	265.1447
Annotation	5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
53.17294	1.5
54.82455	1.7
59.01369	9.1
59.08322	1.7
60.98550	1.4
64.31335	1.5
65.46066	1.7
75.74853	1.6
76.27205	1.5
81.14937	1.9
82.95419	2.4
93.03453	3.6
95.05010	2.2
96.96002	3.8
97.02934	7.0
97.06596	3.6
107.04990	2.2
115.31197	1.8
121.06602	2.7
121.53452	1.6
123.08154	8.5
131.09093	1.6
137.09714	22.1
149.09721	51.9
167.08656	3.9
167.10794	3.7
169.10207	2.5
183.08167	2.5
183.11861	2.9
185.13358	24.9
191.14491	14.7
199.11353	4.0
203.14452	27.0
205.15935	13.2
221.11748	3.0
221.15509	9.2
227.10828	8.2
247.13507	1.8
247.86975	1.7
260.44672	1.9
265.07516	3.7
265.10425	3.7
265.14474	100.0
272.22699	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	265.1446
Annotation	Arlatin
Peak:m/z	Relative Intensity
54.87973	0.5
57.63852	0.6
59.01376	3.6
64.38271	0.7
83.05029	4.3
85.02919	0.9
96.95979	0.8
97.02946	61.7
97.06572	4.7
107.05017	1.7
111.08130	1.2
113.06070	2.7
121.06546	1.0
123.08150	21.0
125.09702	23.5
133.06607	4.5
135.08183	0.9
137.09721	1.7
139.07640	1.2
139.11263	0.8
149.06039	1.1
149.09717	16.1
149.10826	1.1
152.08438	25.4
153.09221	5.3
165.09198	4.3
167.10776	73.5
187.11298	1.3
203.14455	7.6
205.12349	1.0
205.16008	2.9
206.74019	0.7
221.15500	16.6
265.14474	100.0
289.28735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1447
Annotation	Hebelophyllene C
Peak:m/z	Relative Intensity
56.88383	0.4
57.46105	0.4
59.01379	2.0
67.01892	0.6
69.03458	54.9
71.05019	17.5
78.06621	0.4
81.03445	0.7
82.95453	0.5
83.05019	0.9
85.02955	1.1
92.12435	1.1
97.02943	2.5
97.06579	6.4
98.65810	0.5
99.04545	0.6
109.06524	0.4
113.02437	6.2
121.02955	4.5
123.08150	0.9
128.27744	0.5
129.28865	0.5
137.09702	2.7
139.11298	0.7
149.09723	2.6
165.12854	8.8
167.10780	2.6
177.12773	0.5
191.14381	0.8
203.14519	3.3
205.16025	2.3
219.13586	0.6
221.11830	1.8
221.15436	5.0
247.13388	7.9
252.47762	0.5
265.14471	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	265.1445
Annotation	Hebelophyllene C
Peak:m/z	Relative Intensity
50.67503	0.7
59.01375	1.1
66.52206	0.7
69.03457	61.6
71.05021	0.8
71.53206	0.7
81.31522	0.8
83.05031	1.2
90.81002	0.7
97.02894	0.8
97.06592	4.3
113.02440	4.6
121.02945	4.7
123.08146	3.1
137.09721	4.2
147.11787	1.3
167.10770	0.9
189.12805	1.2
191.14447	6.0
203.14439	4.5
205.16032	2.9
215.10638	1.0
221.15443	5.6
230.82439	0.8
247.13399	6.3
265.14459	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	265.1445
Annotation	Xanthoxic acid
Peak:m/z	Relative Intensity
50.90316	1.8
51.64954	1.9
52.52121	1.9
54.82565	2.1
56.46707	1.8
57.03421	1.8
59.01392	21.5
59.67417	2.0
75.63553	2.1
75.81443	2.1
80.46710	2.0
82.95431	4.9
84.05740	2.2
90.87177	2.0
102.02749	2.3
109.06615	3.2
111.08164	15.7
116.00531	2.5
121.02943	2.6
123.04504	4.0
126.89762	2.1
139.07669	17.1
141.09209	4.7
145.76587	2.3
147.11818	2.8
160.21761	2.1
185.13278	16.8
194.51553	2.4
203.14439	17.1
205.15994	17.3
221.15506	26.2
229.12326	72.3
247.13422	68.2
265.14468	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	265.1442
Annotation	Hebelophyllene C
Peak:m/z	Relative Intensity
57.03454	1.5
59.01367	9.3
61.98828	2.9
64.34366	1.8
69.03443	63.1
69.81747	1.7
82.95406	3.2
83.05003	2.4
83.68605	1.6
99.00855	1.8
100.65484	1.7
111.08118	10.1
113.02404	6.7
121.02936	8.6
123.04494	10.7
123.08074	1.8
134.57370	1.8
137.09683	2.6
139.07574	2.7
141.09204	8.4
147.11810	11.6
149.09715	11.9
161.45320	1.7
179.37187	1.9
185.13347	3.3
187.11313	2.0
201.12895	2.2
203.14455	14.7
205.15970	9.5
221.15491	3.6
229.12315	11.3
247.13478	14.2
265.14413	100.0
265.95792	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	265.1447
Annotation	Pernetic acid E
Peak:m/z	Relative Intensity
57.03453	0.9
59.01383	4.2
59.14131	0.6
67.01900	0.9
69.03468	1.0
71.05020	63.5
71.45903	0.6
73.48440	0.5
79.03796	0.5
85.02931	0.7
85.06593	1.0
87.00706	0.6
88.06443	0.6
92.65614	0.6
95.05023	6.8
97.02940	50.5
107.08646	2.6
111.04494	3.3
111.08158	29.6
113.06084	2.4
121.06575	0.8
123.08183	1.3
133.06610	7.2
149.09709	37.2
165.09230	0.9
165.12811	3.3
167.10777	25.6
187.11298	10.5
201.12865	1.0
203.14438	24.3
221.15479	10.9
243.32953	0.6
247.13422	35.7
247.16005	1.2
263.34464	0.6
265.14468	100.0
286.47568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12556	1.3
54.82416	1.1
56.59729	1.0
57.44501	0.9
59.01377	10.5
61.98823	2.4
65.93237	1.0
67.09810	1.0
91.02757	1.2
92.11722	2.3
96.35048	1.1
96.88345	1.1
96.95995	11.6
110.84761	1.3
116.92827	5.5
124.03487	1.3
184.60884	1.1
184.97975	1.1
205.16023	1.5
247.20628	2.7
265.14722	5.0
265.21710	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	265.2174
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
56.54314	0.6
69.13383	0.6
71.09650	0.6
96.95486	0.8
153.66942	0.9
247.20839	0.7
265.21738	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	266.0896
Annotation	Adenosine
Peak:m/z	Relative Intensity
54.82074	0.1
59.01379	0.4
59.69582	0.2
60.20322	0.1
61.98826	1.1
64.24427	0.1
66.34962	0.1
74.02500	0.2
88.04018	1.3
92.02534	1.6
96.96012	1.9
107.03632	6.0
113.87585	0.1
115.00322	0.2
132.02994	0.7
134.04721	100.0
151.02664	0.6
222.09795	0.3
266.06464	0.3
266.08997	3.8
267.07318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0663
Annotation	Dorstegin
Peak:m/z	Relative Intensity
54.10600	1.4
56.36548	1.2
57.03435	1.3
59.01383	12.3
71.01388	1.7
87.00859	7.4
92.12379	2.3
121.02975	2.0
167.80969	1.6
179.17480	1.7
197.06082	100.0
209.04532	1.7
223.07588	6.2
230.93074	1.5
260.26645	1.5
267.06686	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Disperse Blue 1
Peak:m/z	Relative Intensity
57.03459	0.8
59.01383	12.3
59.15823	0.6
60.11250	0.6
71.01378	11.0
71.45054	0.7
85.02970	0.8
87.00867	4.0
89.02435	8.8
97.88258	0.7
98.64772	0.7
101.02447	4.3
113.02400	0.7
115.35210	0.7
117.03455	27.2
118.44302	0.8
119.05016	61.1
121.02975	1.5
121.05054	6.0
123.39915	0.8
134.03757	4.6
145.02953	100.0
149.06114	1.4
163.03990	26.5
234.10722	0.9
267.08780	40.3
267.11560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1602
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.28947	2.3
54.42528	2.8
58.00589	19.6
59.01385	46.3
60.07273	2.7
71.01383	5.6
73.02945	80.9
75.00893	4.2
87.00871	28.4
91.00810	3.2
104.77193	2.9
123.08165	18.2
125.06079	86.0
139.07637	17.3
139.87808	3.7
141.09225	100.0
192.04059	3.1
223.17030	12.7
223.64951	3.1
267.07040	13.2
267.16010	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67350	0.4
57.03444	1.0
59.01374	2.9
70.10255	0.4
71.01385	0.5
72.36995	0.4
83.81956	0.4
95.05007	3.3
97.06578	16.4
102.32114	0.4
110.55061	0.4
113.02455	0.8
113.09707	2.7
116.27816	0.4
141.05577	0.7
151.11288	11.1
223.20731	6.0
231.77998	0.5
249.18587	3.8
267.19678	100.0
268.20004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82492	0.7
55.78320	0.7
57.03394	0.6
59.01388	100.0
79.47684	0.7
87.00883	1.0
94.33720	0.8
108.89908	0.7
114.49559	0.7
119.16810	0.7
192.27077	0.9
267.06949	0.9
267.19647	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1966
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
54.83019	1.6
56.71302	1.2
57.03448	3.3
59.01395	15.6
71.01384	1.5
80.34832	1.3
80.96496	1.6
87.00855	7.4
90.43394	1.3
96.95926	1.9
97.06564	12.4
98.95591	12.6
98.96151	1.5
113.09708	13.0
114.54525	1.3
135.55176	1.4
143.07140	36.7
249.18599	39.1
267.07208	2.2
267.14938	5.2
267.19647	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	267.233
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
75.31844	0.5
80.37939	0.6
83.38779	0.6
102.64868	0.7
143.10310	0.6
149.86618	0.7
165.70526	0.7
210.62202	0.7
267.23309	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	269.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62315	0.2
51.79983	0.2
56.08924	0.2
61.98835	100.0
65.42474	0.2
85.03870	0.2
92.12302	0.3
96.86615	0.2
97.59167	0.2
102.29269	0.2
108.95294	0.2
120.04639	0.2
122.01871	0.2
134.06192	0.2
147.03311	1.2
160.04112	1.3
162.05611	10.3
162.06949	0.4
206.04591	8.1
206.06371	0.3
214.96713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82586	0.3
59.01392	4.4
71.01382	4.6
73.02949	0.4
87.00893	0.5
88.04046	1.2
88.98801	1.9
89.00671	1.3
89.02443	100.0
101.00674	0.3
101.02451	1.5
113.02482	0.8
115.55315	0.3
119.03516	0.5
124.35151	0.3
149.02802	0.6
167.03853	1.8
169.73979	0.3
179.05635	1.4
188.85381	0.3
197.23096	0.3
251.34979	0.3
269.07037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01368	0.4
61.20458	0.4
63.99173	0.4
79.72223	0.4
91.47208	0.4
97.06572	2.2
99.08150	6.6
102.42110	0.4
113.09671	0.4
125.06066	0.8
133.40483	0.4
143.07138	13.9
153.12852	1.8
190.95006	0.4
223.20766	0.7
225.22243	0.7
251.20177	13.5
267.19699	0.8
269.21234	100.0
270.21625	2.1
282.30719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82534	0.4
63.98073	0.4
84.65931	0.4
94.66282	0.5
110.66986	0.5
127.11240	0.8
141.12883	0.6
150.61694	0.4
155.10762	2.5
167.83493	0.4
171.10260	3.1
225.22244	2.4
233.18947	0.5
251.20216	6.4
267.19485	0.7
269.21225	100.0
270.21542	0.5
284.42197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03436	2.2
59.01388	0.4
62.27242	0.4
74.23293	0.4
92.11657	0.8
95.05014	2.7
97.06578	14.1
113.09704	6.6
114.38251	0.4
125.09713	0.4
125.75170	0.4
169.15935	1.7
171.13887	0.9
181.15923	0.5
197.19151	0.5
201.40285	0.5
223.20667	0.6
225.22240	9.7
251.20175	8.6
269.21231	100.0
270.21603	0.5
274.01172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19920	1.0
57.52997	1.1
58.01328	1.1
58.98127	0.9
59.01389	14.4
74.29867	1.0
83.04994	1.2
85.99112	1.1
113.06075	22.2
150.53285	1.2
155.14412	7.8
169.16054	2.8
182.03163	1.1
185.86267	1.4
186.49905	1.4
251.20245	5.0
269.21252	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	269.2124
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03460	19.3
57.63091	0.4
59.01390	69.8
71.01393	7.6
74.88774	0.5
76.57199	0.6
80.78622	0.4
83.90191	0.4
89.80840	0.4
95.01653	0.4
117.08649	0.4
133.15112	0.5
169.16072	0.7
179.14445	0.6
181.15945	1.0
186.39136	0.5
197.19130	31.8
208.64685	0.5
209.19153	2.1
225.22388	3.2
234.37723	0.4
241.18074	0.9
242.02216	0.5
251.20271	3.8
269.04544	0.5
269.21252	100.0
270.21594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2124
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
51.69436	0.3
51.69693	0.4
56.98154	0.4
57.03448	0.8
59.01380	2.8
71.01393	0.4
78.02512	0.4
84.02168	1.6
116.92868	0.5
144.35112	0.4
154.92972	0.4
189.06984	0.4
197.19136	0.6
223.20697	13.7
251.20311	0.6
267.19879	0.5
269.21249	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	270.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29365	1.0
59.01378	4.5
62.48850	1.1
69.03442	1.2
78.95892	4.1
79.95732	59.0
80.96087	1.5
80.96515	28.2
84.92924	0.9
94.98145	1.0
96.95969	1.2
98.45505	0.9
106.56727	0.8
106.97431	1.3
106.98100	17.8
108.80554	0.9
119.04993	5.0
124.00731	100.0
162.05644	1.6
166.91078	2.2
179.10190	1.1
210.89989	2.0
262.82553	1.1
270.04434	97.3
270.10620	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0614
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.42118	0.3
52.81333	0.3
53.47151	0.3
54.43549	0.4
57.97567	2.5
59.01382	2.6
60.46178	0.4
63.02100	0.6
63.02408	14.3
65.00333	20.6
71.42180	0.4
81.03453	0.5
83.01392	16.9
85.12943	0.4
87.70242	0.4
93.03463	15.4
98.64060	0.5
101.27396	0.5
107.01397	35.0
108.99376	0.4
117.03503	0.5
119.05026	100.0
121.17923	0.4
125.02468	0.7
128.03693	0.4
137.02448	0.6
143.05031	0.7
145.02957	1.7
151.00378	69.7
161.06073	2.4
165.01942	4.7
169.01411	6.3
177.01933	8.6
185.06081	1.0
187.04004	3.9
209.15445	0.4
210.22462	0.4
227.02829	0.8
227.07211	1.5
229.05157	0.7
271.06152	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
52.76919	0.3
62.11942	0.3
78.09410	0.3
85.14526	0.4
87.14820	0.3
92.53455	0.3
156.80103	0.4
223.20721	0.4
225.22328	4.6
253.21741	2.0
269.21240	0.7
271.22815	100.0
272.23093	1.7
279.68112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
70.00876	0.2
77.94192	0.2
92.12410	0.3
97.06588	0.5
99.08160	5.4
105.30498	0.3
113.09680	1.0
137.74332	0.2
155.14404	4.7
169.15924	0.4
178.75766	0.2
225.22234	9.0
235.20715	0.6
253.21751	0.5
269.21280	1.7
271.22800	100.0
272.23123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09077	0.4
59.01370	1.7
59.35803	0.4
64.45844	0.3
81.03465	0.4
83.05002	1.8
87.51222	0.4
93.82763	0.4
102.75825	0.4
113.09718	2.9
114.06419	0.5
135.64034	0.5
141.12860	2.5
192.43008	0.4
202.73154	0.5
203.55295	0.5
225.22301	4.8
235.20732	0.5
253.21732	1.9
269.21237	0.8
271.22794	100.0
272.23053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.09544	0.4
54.82740	0.5
55.88462	0.5
56.50974	0.5
57.03439	3.3
57.03692	0.4
59.01372	2.5
59.46771	0.5
71.05019	12.7
72.01353	0.5
78.79524	0.4
85.06582	2.4
87.04472	0.6
88.78483	0.5
92.11725	1.3
92.65627	0.6
104.47025	0.5
105.29145	0.5
124.38271	0.5
173.24022	0.5
181.15990	0.9
183.17522	11.2
197.19107	16.7
197.20934	0.6
202.26189	0.6
209.19113	0.6
223.47820	0.5
225.22267	29.8
227.10144	0.6
253.21661	2.7
269.21243	3.8
270.51849	0.6
271.22794	100.0
272.22989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.09107	0.2
54.91027	0.2
55.01871	0.3
57.03425	0.2
63.11595	0.2
64.34416	0.2
84.02151	0.4
128.50533	0.2
197.19119	1.2
221.19141	1.2
223.20676	6.1
225.22253	83.5
226.22517	0.5
253.21649	1.9
269.21234	0.4
271.22800	100.0
272.23178	0.5
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	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.49837	0.4
54.14830	0.4
56.51331	0.4
59.01386	100.0
61.79160	0.4
66.93837	0.4
68.95644	0.4
69.91109	0.4
92.11790	0.7
99.54179	0.5
173.02458	0.4
191.38686	0.4
200.89594	0.4
205.04660	0.5
213.62456	0.4
226.67546	0.5
241.36224	0.4
271.22806	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92868	1.5
59.01375	11.8
87.53030	1.8
92.12367	4.7
106.97657	1.7
134.03722	7.0
148.05315	50.4
149.06047	2.6
190.05096	17.3
220.06155	51.5
221.06958	53.0
236.09290	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	273.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01386	36.3
61.96864	0.7
62.66102	0.7
64.34290	0.9
71.01376	5.8
71.05013	5.4
73.02923	1.5
83.05003	3.0
84.02152	1.4
94.15265	0.8
97.02948	0.8
97.06556	0.9
99.08131	10.0
101.06074	0.9
111.08165	1.5
115.04009	51.2
120.75951	0.8
125.88116	0.8
127.11293	7.8
137.09711	3.3
139.11290	29.2
139.74554	0.9
155.07166	1.5
155.10785	3.9
157.12395	3.2
170.11963	0.8
181.12408	1.4
191.39066	0.9
237.14868	1.1
247.66093	0.9
255.15970	1.4
273.17099	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	273.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.4
58.00591	1.5
59.01390	12.5
63.10207	1.1
64.59161	1.0
65.15604	0.9
69.03451	1.2
72.02196	1.2
72.64604	0.9
72.99297	1.2
73.02925	2.4
76.57667	1.0
77.87405	1.0
83.42879	1.0
89.33218	1.2
95.05019	2.6
97.06580	23.5
99.08153	7.7
109.06589	4.6
111.08167	27.1
113.06071	10.7
113.09725	14.6
115.07613	1.3
125.06049	1.0
127.07654	18.2
129.09215	16.1
137.06085	2.5
143.07129	2.7
155.07159	11.5
175.14955	7.7
193.15880	1.9
194.96812	1.3
209.15460	1.4
211.17085	1.9
229.18103	1.7
273.17102	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	273.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46902	0.4
54.12462	0.4
57.03437	1.1
58.00605	6.1
59.01108	1.0
59.01385	21.9
59.01677	0.7
59.27765	0.5
60.10815	0.5
62.93951	0.6
68.71875	0.6
71.01378	15.1
71.05021	6.8
72.99327	0.6
73.02933	11.4
75.59933	0.6
81.03448	1.4
83.05016	10.3
85.02933	1.3
85.06568	0.9
87.04466	0.7
91.74741	0.6
95.05008	2.3
97.02921	4.1
97.06593	0.8
99.04495	1.4
99.08151	1.0
101.06066	9.3
111.04505	4.1
111.08110	4.0
113.06035	4.1
113.09700	1.4
115.03990	17.2
116.07156	9.0
116.80552	0.7
125.09648	1.2
127.11270	10.3
129.05553	7.7
129.09181	1.4
137.09673	2.4
139.11244	8.5
145.05052	9.6
155.07066	1.1
155.10764	8.1
157.12218	0.7
175.14874	6.3
191.14449	1.0
193.15938	6.4
237.14719	1.0
255.16023	12.7
273.17038	100.0
274.17404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43414	1.3
58.00598	2.0
59.01385	37.7
60.37903	1.2
71.01379	16.4
71.05003	9.9
71.54222	1.3
73.02947	11.6
81.03466	2.0
83.05009	10.0
85.06624	1.8
86.33141	1.4
87.04497	2.1
97.02956	2.7
99.04508	1.8
101.06061	8.7
107.04993	1.6
111.04496	6.4
111.08115	2.1
112.50253	1.3
113.06057	2.3
115.03991	20.7
115.69327	1.3
127.11291	8.9
129.05566	12.5
139.11295	19.1
145.05057	10.5
155.10765	7.9
175.14909	6.5
193.15959	9.0
233.62308	1.6
255.16000	11.1
273.17087	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	273.2073
Annotation	CHEBI:79282
Peak:m/z	Relative Intensity
58.00584	1.5
58.89904	1.1
59.01380	6.1
64.34421	1.2
68.98186	1.2
71.05030	15.7
71.06078	1.2
72.84565	1.1
91.04955	1.5
94.56423	1.5
101.06060	11.6
155.14412	27.7
168.82310	1.3
175.42966	1.4
185.15450	5.8
196.30125	1.5
197.19104	2.1
209.19118	1.7
227.20210	9.1
237.07840	1.3
247.90610	1.4
255.19698	5.8
273.20746	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	274.112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
76.57430	0.9
116.92932	0.8
123.70412	0.8
127.57246	0.8
128.36435	0.8
145.02994	0.9
154.97017	0.8
155.10796	1.1
196.13429	100.0
217.18875	0.9
240.12407	33.1
274.11169	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	274.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73548	0.8
54.82286	0.9
57.17389	0.7
58.02986	67.6
58.04976	0.8
59.01389	10.7
61.98847	1.0
64.71574	0.8
73.87627	1.1
111.45060	1.1
116.92829	7.9
118.17651	1.0
137.01080	1.0
139.26271	1.0
150.94809	5.4
168.13947	100.0
192.95856	19.0
192.97456	1.1
212.13037	6.5
213.49821	1.1
214.89793	0.9
274.18265	1.1
295.45285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.6
58.00608	3.2
59.01391	7.0
61.98806	0.8
65.21344	0.8
69.03457	3.3
71.01376	3.9
71.05016	8.5
73.02943	1.8
76.57754	0.9
83.05000	3.4
85.02959	1.1
87.04506	1.4
99.04519	1.0
99.08155	21.6
101.06104	7.4
101.06639	0.8
111.08140	6.2
113.09695	1.7
115.04002	1.3
117.18029	0.8
127.07634	5.5
127.11278	5.6
129.09225	11.8
139.11287	22.7
141.09189	1.4
155.10773	1.5
157.12334	8.3
183.10242	6.7
184.49519	0.8
192.95879	3.1
201.11334	18.9
211.17027	1.8
229.18098	3.1
231.04478	0.8
241.23335	1.0
257.17703	7.8
273.17075	3.2
275.15240	6.0
275.18652	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	275.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20195	0.5
52.76268	0.5
57.03462	4.1
58.00592	0.8
59.01387	7.6
61.44200	0.4
69.03451	0.7
71.01385	2.4
71.05022	10.7
73.02933	1.4
75.37357	0.5
80.17896	0.6
83.05032	4.6
84.02192	0.6
85.06598	1.2
87.04502	2.6
97.02918	0.7
99.04508	2.6
99.08162	15.7
101.06081	14.9
104.09495	0.5
111.08156	6.7
113.06076	0.8
113.09718	3.6
126.63867	0.5
127.11292	12.3
137.09717	0.7
139.07698	0.8
139.11273	3.8
150.44167	0.5
155.10786	2.8
157.12337	20.2
163.44810	0.5
182.46791	0.5
192.95804	0.6
201.14937	0.7
201.78708	0.6
206.96657	0.6
208.38115	0.6
229.18103	2.6
257.17654	9.3
264.59601	0.6
273.17126	1.1
275.18680	100.0
276.19272	2.1
277.31873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2018
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01386	10.7
62.75520	0.9
63.32272	1.0
65.59598	0.9
71.01379	0.9
84.59711	0.9
92.12394	2.2
92.66080	0.9
112.98518	1.1
116.92846	4.5
139.76100	1.1
171.22211	1.0
177.16418	1.5
192.06590	0.9
231.21158	9.8
257.18988	1.9
275.01224	1.1
275.20172	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	275.2018
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.29010	1.4
55.43253	1.5
59.01381	3.0
60.78650	1.8
61.60443	1.6
61.98832	2.3
68.99586	2.2
79.59584	1.7
108.34397	1.7
116.92874	14.0
124.02414	1.8
183.83325	1.7
231.21184	100.0
238.31958	2.0
275.20169	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
69.72418	0.1
72.99324	0.2
78.95899	9.2
79.95705	0.2
85.51146	0.1
92.11774	0.1
96.96006	6.5
96.96943	2.3
119.93710	0.6
120.67207	0.2
122.86153	0.1
134.96103	2.9
134.97072	0.6
136.94003	100.0
137.94087	0.8
151.92715	3.8
154.95067	0.7
158.92535	0.2
169.93820	0.1
178.95059	78.9
179.95152	0.8
196.96063	2.4
198.90659	0.9
216.59880	0.1
216.90500	14.1
232.99391	0.1
234.90665	11.2
240.91544	0.1
258.91663	1.5
276.92755	2.4
276.98810	3.9
277.21616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1226
Annotation	Pantetheine
Peak:m/z	Relative Intensity
51.12077	0.7
51.71711	0.8
55.45856	0.9
58.02982	6.2
59.01371	4.5
70.02972	14.0
71.05014	30.1
72.00877	1.0
80.00500	0.9
82.30989	0.8
87.05627	7.7
95.69379	0.9
96.95986	1.1
97.94304	0.8
99.04517	9.1
115.05109	2.0
116.07169	4.0
119.05025	2.0
129.05632	1.9
130.03310	10.5
144.30319	0.9
146.08234	100.0
147.05995	5.0
152.91721	1.1
189.05655	1.4
194.92784	1.3
217.11946	19.5
248.32951	0.9
261.12543	1.8
262.13269	4.3
277.12323	44.5
277.15344	2.4
277.21756	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77551	0.5
56.64301	0.5
66.40263	0.6
69.80528	0.5
77.70113	0.6
108.61820	0.7
140.07339	0.7
178.12474	0.8
184.35960	0.6
195.36734	0.7
197.67352	0.6
277.21716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90090	1.1
59.30176	1.0
64.71225	1.2
68.38590	0.9
81.76100	0.9
85.12202	0.9
97.56025	1.0
97.61358	1.0
100.43819	1.1
138.99821	1.1
176.92213	1.1
181.03731	1.2
231.21202	2.1
233.22746	7.7
244.62689	1.0
247.20491	1.6
277.21738	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	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82398	0.6
55.48728	0.5
59.01368	3.8
60.44523	0.5
62.42476	0.6
72.42884	0.5
72.78222	0.5
75.12406	0.5
94.50456	0.5
94.51083	0.6
98.21371	0.5
121.23894	0.6
134.89491	2.3
144.29059	0.7
147.08125	0.8
200.07108	0.7
233.19135	1.2
233.22902	0.9
277.18536	3.4
277.21725	100.0
277.40683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0671
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
59.01367	3.5
61.98825	1.6
70.02962	1.5
71.01376	13.9
71.05013	3.6
77.63200	0.7
78.42586	0.7
88.04005	1.4
93.03443	5.7
99.04526	1.1
114.01958	14.8
115.00373	18.1
117.03436	1.6
119.05013	100.0
121.06557	1.4
130.03316	0.8
132.03011	11.3
145.02992	7.6
146.06085	3.3
146.08244	10.3
147.04501	6.7
147.08556	5.1
162.05602	30.0
162.06943	1.3
163.03992	15.9
190.08754	1.8
216.06665	7.5
218.12361	1.1
234.07712	3.8
258.42441	0.8
261.12375	1.2
262.13165	3.8
262.38821	0.8
263.13562	1.2
277.12378	1.9
277.15524	1.0
277.21701	3.2
278.06680	53.6
278.12671	3.4
278.15753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42684	0.4
54.82395	0.6
59.01382	0.7
71.67498	0.5
74.37025	0.5
89.04001	1.0
102.05586	3.6
115.10889	0.5
117.03462	1.3
128.03523	5.9
129.23804	0.5
132.02173	0.9
134.03729	100.0
135.04445	1.0
140.34763	0.6
148.05357	2.3
149.06073	56.8
160.01682	4.0
175.03998	3.2
278.10358	13.0
278.13614	1.0
278.21936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58744	0.8
70.54610	0.9
74.00242	0.8
85.29381	1.1
85.53977	0.9
117.56361	0.9
155.98056	1.1
277.03043	1.0
277.21744	8.0
278.22067	100.0
289.40359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	Aignopsane Ketal
Peak:m/z	Relative Intensity
59.01365	2.8
61.98820	0.8
87.91412	0.5
109.79454	0.5
116.92804	0.9
134.89456	3.2
136.89204	1.1
219.05287	0.5
219.17480	3.1
243.79010	0.7
248.28935	0.5
251.92824	0.6
279.19656	69.9
279.23270	100.0
280.20016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
63.84394	0.4
66.25422	0.5
74.38145	0.5
78.39149	0.5
78.83253	0.5
83.04937	0.4
88.55069	0.5
103.92500	0.6
159.91713	0.6
204.44991	0.5
279.23300	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	279.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02243	0.5
61.03111	0.4
72.98096	0.5
75.81310	0.5
77.37173	0.5
107.66500	0.5
126.14203	0.5
159.21193	0.5
166.37218	0.5
263.24268	0.5
269.68042	0.5
279.23294	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	280.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63926	0.3
86.01054	0.4
90.35641	0.4
97.98177	0.4
104.73531	0.5
118.33513	0.4
239.80853	0.4
279.23300	10.0
280.23648	100.0
281.23987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51000	0.2
51.27282	0.2
57.03457	0.2
57.81919	0.2
59.01387	42.9
61.74693	0.2
61.98835	100.0
67.01897	0.4
71.01396	1.7
73.02966	0.5
88.04032	1.3
89.02454	1.1
96.95444	0.3
96.95975	2.1
99.04547	0.3
101.02441	1.4
103.92038	0.3
113.02451	0.3
117.05589	0.3
122.89496	0.3
124.89123	0.5
131.03601	0.4
135.03159	1.0
146.08292	1.3
162.01978	0.3
163.44423	0.3
164.07169	0.4
170.68910	0.2
174.99280	0.5
178.88206	0.2
218.10286	2.3
221.06770	1.0
221.10321	1.2
280.23718	4.1
281.08737	0.4
281.11493	0.3
281.24869	32.7
303.29184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82754	0.3
59.01387	67.7
61.98836	100.0
62.36989	0.3
71.01392	2.9
71.01740	0.3
73.02969	0.4
83.01407	0.3
85.02971	0.6
88.04051	2.0
88.19984	0.3
89.02435	1.2
92.12323	0.5
96.96010	2.9
96.96938	0.3
101.02440	1.2
113.02460	0.5
115.92165	0.3
117.05565	0.7
124.89135	0.5
131.03493	1.3
135.03113	1.2
136.01689	0.3
139.00389	0.4
146.08244	1.4
164.07195	0.4
200.72128	0.3
216.13989	0.3
218.10420	2.5
221.06842	0.4
221.10367	1.8
244.46365	0.3
280.23642	5.7
281.09003	0.7
281.24878	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Carolenalol
Peak:m/z	Relative Intensity
50.39886	0.6
54.83001	0.6
55.01883	1.2
56.84195	0.7
57.03455	15.2
59.01387	12.6
61.98828	1.6
65.03957	1.3
69.03458	3.6
70.34263	0.7
71.01366	0.8
81.03459	1.1
83.01347	1.0
83.05021	16.2
85.02959	1.1
87.00863	16.0
93.03451	1.3
95.04997	4.5
96.95995	1.2
97.06556	0.9
105.07151	1.0
109.02905	1.0
109.06561	1.0
110.64940	0.9
111.04509	6.3
111.08146	4.4
113.02461	1.1
113.06086	1.2
117.03501	0.8
119.04961	0.8
119.08656	1.9
121.06599	10.6
123.08157	30.7
124.05255	3.8
127.51812	0.9
129.07146	1.0
130.49023	0.8
133.06573	0.8
135.08183	1.4
137.09717	5.7
138.06856	0.9
139.07617	6.0
145.02939	1.5
145.10222	3.9
151.07651	4.4
153.08125	1.0
153.09218	3.0
165.09184	1.3
166.80435	0.8
169.08830	1.1
169.10214	4.1
171.11787	37.4
175.11346	1.2
183.11705	0.8
189.12848	14.2
195.72162	0.7
201.11572	0.8
201.12914	11.4
207.13904	6.3
213.69244	0.9
219.13881	6.7
237.14960	47.2
280.23782	1.7
281.07309	2.1
281.13953	100.0
281.24850	35.0
282.14505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1397
Annotation	Carolenalol
Peak:m/z	Relative Intensity
50.00397	1.1
50.01792	1.1
55.01891	2.5
57.03456	52.8
59.01114	1.2
59.01385	26.9
65.03966	2.5
68.41341	1.1
69.03449	1.6
83.05025	25.0
85.02940	1.4
87.00867	13.8
93.03455	2.5
93.07098	1.4
94.04208	1.2
95.05027	12.5
96.81303	1.2
97.02922	2.2
97.06584	1.6
98.03734	2.1
100.63904	1.3
109.02899	2.2
109.06577	6.3
111.04527	10.0
111.08160	15.3
113.06075	2.5
119.08678	4.6
121.06587	12.6
122.03693	8.8
123.08137	1.4
124.05276	32.1
126.74117	1.4
129.07143	1.6
135.08160	2.1
136.86491	1.2
137.06085	10.6
137.09717	24.2
138.06863	7.1
139.06555	2.7
139.07648	74.3
145.10245	4.9
149.09889	1.6
151.07669	5.2
151.11111	1.1
153.09204	7.3
163.11288	1.8
164.08397	1.4
165.09178	1.5
169.08786	1.5
169.10228	2.7
171.11807	45.8
174.44452	1.3
177.12883	1.8
189.12859	28.2
201.12830	9.1
207.13924	17.4
219.13956	20.2
221.11841	1.5
233.46510	1.3
237.14964	100.0
239.12885	32.0
280.23508	2.1
281.13959	67.8
281.24860	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	281.2486
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
59.74545	0.4
99.06677	0.4
120.14140	0.3
189.41246	0.4
281.24863	100.0
282.25290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0844
Annotation	Guanosine
Peak:m/z	Relative Intensity
52.06031	0.2
55.11362	0.2
55.46280	0.2
57.47324	0.2
59.01370	0.5
61.98819	1.2
63.78254	0.2
64.34718	0.3
65.33445	0.2
66.00951	0.4
67.19160	0.2
69.41528	0.2
69.80368	0.3
71.01395	0.3
73.02917	0.4
82.04103	1.3
101.02482	0.2
106.86207	0.2
107.03617	5.3
108.02020	6.6
117.01998	0.3
124.89063	0.3
126.03080	11.9
130.08731	1.8
133.01552	38.0
150.04207	100.0
151.02614	0.6
281.24884	4.2
282.08466	25.1
282.25192	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	282.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08594	0.3
59.01382	1.9
60.92517	0.3
64.34761	0.3
69.42442	0.4
69.75658	0.3
75.35635	0.3
76.57753	0.3
80.46508	0.3
93.03423	0.8
106.04223	0.7
114.39790	0.3
117.03438	2.2
119.05028	100.0
120.04561	0.7
131.05055	0.5
132.05807	9.3
134.06136	2.0
136.07683	7.3
144.04591	1.2
145.02980	9.0
160.04106	0.4
161.35609	0.3
162.05624	16.1
174.05592	3.4
179.08722	0.3
240.10326	0.7
247.12773	0.3
248.74283	0.3
262.05179	0.3
281.24872	14.2
282.11380	91.3
282.25247	7.7
283.11649	0.6
284.96826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05022	0.1
53.70525	0.1
61.38091	0.2
64.16492	0.1
69.40060	0.1
72.62050	0.1
73.75197	0.1
91.05532	0.2
93.03455	1.1
106.04257	1.5
108.02184	0.2
117.03471	2.7
118.04237	0.2
119.05024	100.0
120.04557	1.5
120.05318	0.2
121.02940	0.6
124.95798	0.2
131.05028	0.6
132.05815	8.3
133.05309	0.5
134.03726	0.2
134.06128	1.6
136.07687	6.7
144.04530	1.3
145.02966	8.7
145.04083	0.3
160.04082	0.3
162.05621	14.4
165.72438	0.2
174.05592	3.9
240.10324	0.8
247.23817	0.2
281.24911	0.2
282.11383	70.6
283.11716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67466	0.2
53.77737	0.2
59.01385	100.0
61.98837	1.1
84.63273	0.3
86.05835	0.2
112.92307	0.6
115.02520	0.4
123.42390	0.3
135.58151	0.3
140.91838	0.4
154.93295	0.4
157.03561	4.7
159.01518	7.4
168.56189	0.3
201.02567	76.7
239.62198	0.3
281.41745	0.3
282.25195	4.2
283.26385	8.4
298.58304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0686
Annotation	Xanthosine
Peak:m/z	Relative Intensity
51.95996	0.2
53.24397	0.2
57.69606	0.2
59.01385	3.1
61.98829	1.4
66.55553	0.2
71.01392	0.4
89.02419	0.5
92.74278	0.2
97.97061	0.2
101.02399	0.4
103.04018	0.3
108.02037	11.3
126.03110	1.1
133.01517	0.3
139.86633	0.2
149.04836	0.2
151.02618	100.0
223.08218	0.3
282.25281	2.4
282.27948	0.3
283.06854	16.3
283.26486	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	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83831	0.2
54.88321	0.2
58.88298	0.2
59.01392	100.0
59.46072	0.2
60.22495	0.2
61.68317	0.3
61.98841	0.4
62.27749	0.3
62.39702	0.2
78.95914	0.4
81.70922	0.2
96.96046	0.6
96.96957	0.4
102.98615	0.4
108.79269	0.3
130.00453	0.3
131.53221	0.3
145.02989	0.3
163.06230	0.3
163.87518	0.2
178.52603	0.3
201.02693	1.5
223.13455	0.4
235.42957	0.3
280.15851	0.3
282.25165	2.8
283.15521	0.4
283.26431	6.4
301.30270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
53.68575	0.2
59.01405	0.2
62.75793	0.1
68.93893	0.2
70.39660	0.2
83.27171	0.2
84.87082	0.2
93.37926	0.2
106.04199	0.3
107.05032	98.3
108.05356	0.9
123.04535	0.4
130.64496	0.2
135.75249	0.2
143.55588	0.2
147.08185	0.4
163.11292	100.0
164.11632	1.6
283.17053	68.0
283.25986	2.1
284.17422	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	285.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08163	4.8
55.84297	4.6
59.01157	5.5
59.01392	100.0
61.98824	10.3
65.20437	4.7
78.95908	11.8
92.11724	11.5
92.65754	6.5
105.46336	5.8
141.97018	4.8
149.77551	4.9
189.95323	5.6
202.94203	7.4
202.98900	8.0
203.02298	8.4
206.48178	6.3
249.15047	12.2
267.19672	7.3
285.20615	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	285.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
59.55849	0.5
61.98829	0.8
66.26331	0.6
73.02935	2.5
77.14670	0.6
148.21843	0.6
193.00897	0.7
285.13541	0.8
285.17099	2.9
309.36154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44803	0.1
59.01385	100.0
60.01719	0.1
61.98834	0.2
62.90383	0.1
71.05688	0.1
81.03465	0.6
83.05024	5.3
92.12328	0.2
95.73811	0.1
96.96003	0.6
106.53615	0.1
119.05032	0.2
120.99656	0.4
152.91826	0.3
169.17253	0.1
178.91011	0.2
207.15079	0.9
225.16107	13.0
235.68880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2436
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01878	1.4
55.18866	0.3
56.85320	0.4
78.95860	0.3
86.35076	0.4
118.53831	0.4
135.21877	0.4
211.20686	1.5
235.20752	0.8
237.22244	5.7
239.23805	79.2
240.24167	0.8
267.23273	1.8
285.24362	100.0
286.24637	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.30453	1.4
57.03433	1.4
57.16032	1.4
59.01109	1.9
59.01383	43.8
61.40575	1.6
61.98820	3.3
63.74717	1.4
64.31771	1.7
71.01385	17.3
71.05013	2.1
73.02936	16.0
78.03193	1.6
83.05019	4.0
85.02962	1.6
93.63779	1.6
93.75024	1.6
97.02944	4.2
97.06525	1.9
99.04507	2.3
101.06052	3.6
105.07767	1.6
115.03993	3.2
123.08128	2.3
126.11367	1.8
141.09213	17.2
145.05037	14.6
147.08179	7.0
183.10213	1.8
207.13945	8.8
227.20117	3.2
251.13000	2.4
269.13919	14.1
287.10339	3.3
287.15005	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	287.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40888	0.6
58.00596	1.6
59.01388	6.3
61.98822	1.5
64.45205	0.6
64.81384	0.7
70.91731	0.6
71.01382	0.7
79.74982	0.7
81.47661	0.8
97.06593	1.5
99.08145	8.6
111.08175	1.1
115.07665	1.6
122.05586	0.7
127.07654	3.9
129.09227	3.4
134.02457	1.1
136.04039	0.9
141.12846	10.7
153.33478	0.7
161.23225	0.8
171.01111	0.7
171.13962	3.0
227.20122	1.0
241.21759	1.4
249.18843	0.8
269.21198	5.2
285.20743	3.3
287.22324	100.0
288.16040	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	287.2228
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
58.00599	4.6
59.01385	6.7
61.98817	0.9
83.05033	2.7
85.06596	14.4
97.06590	0.7
101.06052	1.5
113.06078	5.1
115.07633	9.9
155.14421	18.4
175.40309	0.7
185.15408	5.8
186.18175	0.7
211.13062	0.7
211.20682	2.9
216.40453	0.8
223.20599	0.8
241.21716	4.6
252.04555	0.7
269.21182	3.7
277.93906	0.7
285.20697	1.3
287.22293	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	287.2231
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.64057	0.1
52.37189	0.1
59.01385	1.1
60.50924	0.2
61.98831	0.3
63.57196	0.1
72.33851	0.2
78.17340	0.1
85.06615	0.1
99.00886	0.2
99.45390	0.2
104.33843	0.2
113.09728	2.8
123.34089	0.2
125.09741	0.7
127.11272	3.1
141.12857	0.9
143.10753	1.1
155.10785	0.2
157.12422	0.3
187.13354	0.2
206.21939	0.2
211.20686	0.2
223.20702	0.2
239.20058	1.2
241.21768	2.3
269.21167	3.4
285.20746	2.2
287.22305	100.0
288.22617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.223
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.73643	0.3
58.00597	0.9
58.49939	0.3
59.01374	2.4
61.98813	0.3
71.01356	0.4
72.54880	0.3
78.57967	0.4
92.11723	0.8
95.05026	0.7
97.06599	3.8
99.08155	7.6
101.64803	0.4
109.06564	0.7
111.08157	0.8
115.07656	3.3
117.95165	0.4
119.30919	0.4
125.06128	0.7
127.07654	2.8
129.09171	2.0
134.02505	0.6
141.12860	11.5
143.07135	2.8
155.14421	0.7
169.12350	2.9
171.13899	2.2
211.20724	0.9
223.20708	0.7
227.20113	0.6
241.21681	1.6
249.18515	1.5
251.20125	1.5
267.19690	1.6
269.21265	5.0
285.20746	6.6
287.22311	100.0
288.16080	1.6
288.22696	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17173	0.2
57.45969	0.2
58.00604	0.6
59.01391	2.3
79.21574	0.3
92.11758	0.5
97.06537	0.3
112.83595	0.3
113.09715	6.9
125.09686	1.1
127.11284	5.0
138.91641	0.3
141.09187	0.4
141.12778	0.4
143.10806	4.4
155.10768	1.4
157.12338	1.4
159.96970	0.3
162.17021	0.3
171.10292	2.5
199.06474	0.2
201.11328	1.5
211.20695	0.3
251.20161	2.2
257.70914	0.3
267.19711	1.4
269.21246	11.8
283.19040	0.4
285.20767	5.7
287.22299	100.0
288.22681	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	288.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.0
61.01815	0.1
61.98835	100.0
68.53243	0.1
92.11793	0.2
124.08468	0.1
135.21970	0.1
193.77287	0.1
229.06554	0.1
256.02527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1608
Annotation	Mesembrine
Peak:m/z	Relative Intensity
57.85834	0.3
59.01374	1.4
79.14805	0.3
81.03449	1.2
85.49731	0.3
88.69320	0.3
92.05031	0.6
93.03456	1.3
97.14505	0.3
102.25642	0.3
108.02176	0.4
108.04568	3.9
109.02940	4.9
118.23749	0.3
121.02958	0.5
124.01641	0.5
134.02480	51.5
135.03271	11.0
136.04037	41.7
137.02463	2.9
148.04050	1.2
149.04868	2.4
151.08211	0.3
152.01154	0.3
176.03532	6.9
177.04335	0.7
181.03848	0.6
190.05096	0.6
275.45862	0.3
287.22272	2.7
288.16098	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	289.0832
Annotation	Indole-3-acetyl-L-aspartic acid
Peak:m/z	Relative Intensity
57.94835	0.3
59.01384	2.8
59.82615	0.4
70.03003	0.4
71.01388	10.4
87.04539	0.5
88.04038	100.0
96.22379	0.4
114.01967	1.7
115.00367	16.8
130.06613	2.7
132.03020	46.5
132.79460	0.4
146.06122	8.2
156.04544	8.8
170.28998	0.4
173.07195	10.9
174.05589	10.1
189.07744	0.4
214.42651	0.4
245.09335	6.4
271.07288	0.9
289.08298	32.7
289.16580	2.0
311.32706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	9.6
58.00595	2.6
59.01396	26.9
61.98824	1.4
63.51678	1.0
63.84981	1.1
67.87443	1.1
68.67818	1.1
69.03469	1.8
71.01379	6.0
71.05054	2.0
73.02940	13.0
79.95712	1.6
83.05020	6.1
85.02950	1.8
85.06615	8.6
95.05022	2.5
96.96009	35.0
97.06597	11.3
99.08164	2.0
101.06085	1.6
109.06614	4.4
111.08176	9.1
113.06067	5.8
115.04018	13.2
115.07662	9.8
126.05563	1.2
127.07632	7.4
127.97500	20.4
129.05524	2.5
129.09196	2.3
131.07144	5.3
132.43523	1.2
133.02982	1.5
135.04489	2.0
145.05064	2.8
145.08739	4.8
147.11790	7.0
153.99857	1.2
155.07135	4.8
155.10818	1.2
161.02400	3.0
209.15475	1.8
247.05099	1.3
253.07184	2.5
271.15527	5.4
289.16586	100.0
290.16840	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	289.1661
Annotation	oscr#14
Peak:m/z	Relative Intensity
50.79201	0.6
52.33678	0.6
52.51981	0.8
55.01870	1.7
57.03443	1.7
58.00594	1.1
59.01390	82.9
61.98825	2.1
65.03953	1.3
67.01878	1.0
67.05541	0.8
69.03100	1.1
69.03458	28.0
72.99280	1.0
81.03449	5.8
83.05028	31.8
84.04617	1.0
87.00880	7.2
91.05521	13.0
92.12384	1.4
93.03442	5.4
99.08131	3.2
107.05025	5.3
108.05801	0.8
109.02928	1.2
109.06595	53.6
109.07358	1.8
110.03751	1.6
111.04520	66.1
124.10291	0.8
129.09203	1.4
153.05569	1.8
157.12328	1.9
203.12953	10.3
233.81723	0.8
249.84845	0.9
289.16602	100.0
296.12805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29837	1.1
53.18126	1.0
59.01382	6.8
64.17368	1.0
65.60307	0.9
67.03087	0.9
71.05019	21.8
73.48766	1.2
79.35827	1.2
88.19282	1.2
97.06561	9.3
108.10506	1.3
133.13600	1.3
153.12874	1.2
181.12354	1.9
191.64328	1.2
219.13945	2.4
223.18726	1.3
235.16953	1.4
291.19678	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04001	0.5
57.03448	0.8
59.01370	2.6
85.18539	0.5
85.29742	0.5
88.04133	0.5
93.07088	0.6
97.06569	1.2
100.24124	0.5
109.51057	0.6
113.07716	0.6
121.10215	17.8
122.33501	0.7
125.09702	8.5
141.12827	1.2
160.14954	0.6
185.11827	15.2
197.11810	3.7
209.11766	0.9
211.13405	2.6
223.13574	1.0
259.65030	0.5
291.19678	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99980	0.7
57.03440	1.4
62.72841	0.7
62.84806	0.7
76.00041	0.6
80.35542	0.7
92.11723	1.7
97.06554	1.0
113.79828	0.8
121.10234	17.4
122.18022	0.8
123.08121	1.4
125.09713	9.0
185.11823	15.7
197.11848	3.9
211.13438	1.0
273.18549	1.3
291.19672	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01378	1.4
61.86790	0.4
66.02729	0.6
76.99730	0.5
92.12434	1.5
125.93345	0.6
148.08961	1.0
150.10489	0.8
150.46819	0.6
163.11269	0.6
165.12830	22.2
172.47552	0.5
177.12784	0.7
191.14388	0.7
247.20660	14.6
266.74933	0.6
273.18616	7.7
286.08212	0.6
291.19681	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10676	0.3
57.51033	0.4
59.01382	1.8
60.84845	0.5
61.98819	0.8
63.71590	0.4
72.15146	0.4
79.95728	0.6
93.17695	0.4
95.34129	0.4
108.36879	0.4
109.06573	0.7
119.04977	0.5
121.02963	1.8
127.07648	0.7
148.08936	2.3
151.11275	2.5
153.12871	0.8
175.11308	0.7
177.12851	0.9
193.16069	0.7
203.14453	2.3
223.13336	0.8
237.15080	0.5
239.62981	0.5
247.20749	6.0
273.18661	1.1
291.19687	100.0
292.19913	0.7
301.08530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.95697	0.7
54.64455	0.7
59.01380	1.3
73.02942	58.6
80.88199	0.8
81.48093	0.8
117.46840	0.9
119.29532	0.9
121.02905	0.9
126.46073	0.9
130.93660	1.2
170.01627	0.9
246.45956	1.0
291.19690	100.0
292.19971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45237	70.8
61.98838	93.5
81.92912	80.3
92.11664	89.7
107.81029	74.3
151.96883	93.7
179.52623	94.0
205.42957	80.7
222.81816	91.9
302.88684	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	292.1307
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
52.57743	1.1
53.86828	1.2
58.02710	1.8
58.02988	45.3
59.01383	7.4
61.98835	19.7
68.98907	1.1
70.02982	50.1
75.65058	1.2
82.90237	1.2
95.02486	1.9
96.00912	24.4
113.03552	6.3
114.01971	26.2
157.64828	1.3
160.42361	1.4
177.10339	100.0
189.10344	2.5
197.65166	1.5
203.11844	2.9
213.16486	1.5
230.12944	10.4
248.14053	88.8
274.12006	62.4
292.13055	77.7
314.32477	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	292.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	1.3
59.01374	1.1
61.98835	0.3
68.99555	0.2
118.70470	0.2
156.13936	100.0
157.14301	1.0
200.12984	2.9
221.15605	0.3
292.19238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1922
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.30053	0.2
56.31116	0.2
58.02973	1.2
63.75701	0.2
69.46985	0.2
92.64827	0.2
105.84367	0.2
108.86755	0.2
119.95274	0.2
146.93517	0.2
156.13939	100.0
157.14293	0.5
200.12856	1.9
200.88058	0.2
225.61916	0.3
234.38844	0.3
292.19165	0.3
293.21277	1.6
302.92300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31744	0.5
55.01893	1.0
56.36221	0.5
57.03486	0.8
58.00608	1.2
59.01394	60.5
67.01136	0.7
71.01384	23.6
72.08534	0.9
72.99358	0.8
73.02951	1.3
83.01383	1.3
85.02967	5.6
85.06110	1.4
85.06592	24.4
89.02442	26.2
95.01398	1.2
100.00346	1.0
101.02432	14.1
106.95750	0.7
113.02441	8.1
113.06060	4.7
115.07617	1.6
119.03497	7.9
124.51362	0.7
127.07633	1.6
131.07127	68.7
145.00429	0.8
156.46120	0.7
173.08168	1.2
179.05673	1.0
293.12439	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03444	0.9
58.00592	0.9
58.86465	0.6
59.01382	56.0
59.31400	0.6
60.60437	0.6
60.66739	0.6
71.01379	22.7
72.99299	1.2
73.02930	1.0
83.01385	1.3
85.02946	6.1
85.06586	18.6
87.00843	1.2
89.02439	26.0
91.37147	0.7
92.11735	1.3
95.01369	1.3
100.00397	4.7
101.02430	13.3
103.03342	0.7
113.02467	9.2
113.06066	3.5
115.07617	3.9
119.03488	7.2
127.07626	0.8
131.07132	66.6
131.90034	0.7
143.49281	0.7
144.03038	0.8
148.06271	3.4
170.59453	0.7
173.08102	1.2
182.68066	0.9
190.68440	0.8
216.42120	0.8
283.66653	0.7
293.12448	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11657	0.4
55.01879	2.5
56.75176	0.5
57.03447	2.2
58.00597	0.6
58.16604	0.4
58.48790	0.4
58.49091	0.5
59.01386	100.0
71.01384	17.1
73.02950	7.6
74.36292	0.5
83.01395	4.5
85.02951	10.9
86.27444	0.5
87.00854	0.6
89.02432	4.4
95.01398	0.8
99.00880	1.2
101.02435	17.6
113.02451	8.0
119.03482	1.0
143.03488	0.6
147.26596	0.6
155.47636	0.5
159.02991	0.6
161.04518	8.1
175.51147	0.5
239.08090	0.5
251.11382	21.1
278.47311	0.6
309.08447	0.5
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
59.01389	1.1
73.45145	0.8
76.02027	0.9
78.98146	0.8
92.11678	1.1
107.95263	0.9
141.71019	0.9
195.13857	14.3
195.73219	0.9
223.13373	13.3
256.13235	6.6
275.20267	10.2
293.21246	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
72.18795	0.9
72.83778	1.1
88.74847	1.1
121.10210	28.9
171.10271	43.3
183.13873	1.5
213.62521	1.1
213.94267	1.1
231.21133	4.5
275.20181	100.0
293.13477	1.1
293.21249	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06179	0.6
54.42028	0.5
54.82840	0.6
59.01386	0.7
67.18561	0.6
73.24376	0.7
79.95736	0.9
96.95997	57.3
119.47486	0.6
142.01985	0.6
150.10446	1.2
165.12831	1.5
170.60086	0.6
205.65886	0.6
221.15474	3.9
228.99861	0.6
248.42938	0.7
249.22180	8.6
269.55554	0.7
293.17950	36.5
293.21255	100.0
294.18338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18625	0.3
70.14452	0.3
72.10257	0.3
82.18121	0.3
90.08819	0.4
96.96001	15.8
103.90144	0.4
115.66129	0.4
151.11305	0.5
172.65184	0.4
177.12851	4.6
178.13617	0.9
200.05289	0.5
215.28914	0.4
249.22191	4.4
293.17987	10.8
293.21204	100.0
294.21515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01372	4.0
71.01369	1.2
71.05006	6.0
83.04987	0.9
91.66757	0.8
92.12370	1.2
96.95426	1.1
96.95998	19.9
101.15115	0.8
124.63614	1.0
124.66361	0.9
129.28276	0.9
176.16817	0.9
195.65985	0.9
211.65572	1.0
223.17073	5.7
231.21155	2.2
235.17032	43.8
237.18671	1.1
275.20175	50.0
293.17975	12.1
293.21188	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	293.2125
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
52.65789	1.6
59.01377	8.5
61.98809	10.4
65.49086	1.7
68.99557	3.5
71.01366	2.2
92.12347	2.2
92.92799	2.3
95.51620	2.2
96.95982	9.9
99.08147	43.8
116.92828	11.1
137.01990	2.1
185.11803	2.5
193.12352	17.4
211.13326	3.3
220.14624	11.9
221.15480	19.5
236.10587	12.3
256.86139	2.2
293.18054	6.9
293.21228	100.0
303.94940	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.6
68.99593	0.7
69.03430	0.8
71.01363	1.1
88.97655	0.7
89.02444	0.7
92.11690	1.4
111.27347	0.7
112.98550	0.9
123.08109	0.8
151.11261	0.9
169.12317	3.3
192.11516	1.1
197.11821	38.9
220.14662	3.6
221.15469	7.7
231.21196	1.8
236.10529	3.3
275.20203	35.3
293.21219	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.5
61.98842	1.3
63.07837	1.0
71.01388	2.5
80.12270	1.1
83.05025	1.2
92.11662	3.8
92.63817	1.1
114.38823	1.2
119.90174	1.1
178.17917	1.1
187.94543	1.2
193.16008	1.4
209.15494	100.0
220.14813	3.9
221.15465	6.6
231.21181	5.1
236.10587	2.1
275.20184	76.3
275.82397	1.2
280.18411	1.1
293.21234	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93880	0.6
56.93118	0.6
57.03455	7.1
59.01388	1.3
68.36882	0.5
70.64546	0.6
96.95985	1.5
97.06543	0.8
113.09718	25.7
116.42716	0.6
121.10235	1.2
139.11281	1.6
149.09697	0.8
167.10786	2.5
171.10300	5.6
177.12851	1.1
179.10788	1.1
180.56017	0.7
191.76817	0.7
195.12357	0.7
195.13965	4.1
231.21288	1.1
249.22165	3.0
275.20175	9.5
293.21262	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11109	0.4
60.35912	0.5
69.03445	0.5
76.80530	0.5
83.56480	0.5
84.15170	0.4
92.11749	0.7
96.58218	0.5
97.06589	0.8
123.08194	1.0
125.09692	5.6
141.12863	0.7
149.09743	1.3
157.84212	0.4
166.15895	0.5
167.14429	0.6
185.11829	10.2
192.42236	0.5
197.11819	2.8
198.11151	0.5
274.03879	0.6
293.21243	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47109	0.4
57.03444	2.0
58.60049	0.4
61.17147	0.4
62.23837	0.4
65.35649	0.4
75.58355	0.4
76.57307	0.5
97.06572	0.9
125.09721	5.3
129.69075	0.5
141.12872	1.0
149.09735	2.2
167.14479	0.6
185.11829	11.5
197.11838	2.3
249.22203	0.8
293.21249	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49399	0.3
50.93675	0.3
57.03452	0.9
61.08905	0.3
72.21306	0.3
77.67575	0.3
92.65231	0.4
113.09731	0.6
135.08151	0.4
139.11304	4.3
139.28786	0.4
150.23900	0.3
155.14404	0.8
164.84659	0.5
165.12874	0.7
178.69875	0.3
199.13419	9.2
211.13451	3.5
214.88913	0.4
217.27785	0.4
221.15442	0.5
249.22316	0.7
293.21280	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.3
59.01385	3.3
60.70961	0.3
61.98824	0.6
71.01390	0.4
97.06561	0.9
102.14445	0.3
103.14240	0.4
109.06612	0.7
110.89270	0.3
112.98518	0.4
113.09727	25.1
120.83624	0.3
139.11287	2.2
144.50229	0.4
149.09688	0.5
167.10854	3.0
177.09200	0.5
177.12851	0.8
177.94048	0.4
179.10762	2.3
195.13884	3.6
211.13554	0.5
220.14751	1.6
221.15526	2.5
236.10631	1.6
249.22281	2.2
293.21265	100.0
294.21539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49399	0.3
50.93675	0.3
57.03452	0.9
61.08905	0.3
72.21306	0.3
77.67575	0.3
92.65231	0.4
113.09731	0.6
135.08151	0.4
139.11304	4.3
139.28786	0.4
150.23900	0.3
155.14404	0.8
164.84659	0.5
165.12874	0.7
178.69875	0.3
199.13419	9.2
211.13451	3.5
214.88913	0.4
217.27785	0.4
221.15442	0.5
249.22316	0.7
293.21280	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	293.2488
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
50.15405	0.5
56.09757	0.6
65.84521	0.6
67.28289	0.6
75.03177	0.6
80.85909	0.7
85.63589	0.7
90.50880	0.7
99.68867	0.7
105.27104	0.6
114.15756	0.7
116.92790	0.6
177.61176	0.7
220.14691	1.3
221.15527	0.9
236.10526	2.6
293.24866	100.0
294.25348	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	294.1195
Annotation	2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitol
Peak:m/z	Relative Intensity
57.37236	0.4
58.00605	0.7
59.01394	39.6
61.46901	0.4
71.01385	33.7
72.99310	0.8
78.95890	1.1
85.02948	2.7
89.02438	38.6
94.45296	0.5
95.01382	0.6
101.02425	5.2
113.02451	7.1
114.05597	100.0
115.00324	0.7
119.03470	5.5
122.40533	0.5
126.01926	0.6
131.03537	0.7
132.03003	0.6
143.03519	1.1
161.04527	3.0
166.97839	0.5
179.05609	9.9
228.02361	0.5
271.58563	0.6
295.10379	0.7
296.14691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90575	0.4
57.03440	0.9
59.01389	25.9
69.03442	3.1
71.01380	1.0
72.99317	2.4
74.99103	0.6
76.43916	0.5
83.01379	1.3
85.02962	4.0
93.03453	1.3
95.05024	2.3
101.02430	0.5
113.02461	2.7
117.03456	3.4
119.05022	98.9
129.01941	0.6
131.03505	18.6
135.04596	0.6
137.06062	0.9
139.07664	3.7
145.02956	12.7
146.04622	0.8
149.04561	61.6
163.04018	100.0
164.04330	1.3
171.10182	0.7
181.05019	0.6
223.07957	0.6
233.11913	1.2
265.03482	0.6
277.21832	2.0
280.05988	1.1
295.08264	5.6
295.11572	0.8
295.22839	6.6
318.14630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03459	0.9
58.00600	3.8
59.01383	100.0
71.01377	52.9
72.99303	3.7
73.02927	3.7
74.29663	0.8
75.00883	1.6
83.01360	1.9
83.90921	0.8
85.02943	9.3
89.02438	51.0
91.55951	1.0
95.01362	1.8
97.95645	1.0
101.02437	21.9
113.02435	14.9
114.05592	21.2
115.00365	10.8
115.04077	1.0
115.05954	7.4
117.01942	1.3
119.03493	16.4
131.03503	1.4
133.05040	1.2
143.03467	1.0
148.90022	0.9
161.04509	1.0
179.05620	2.2
215.05087	1.0
220.41310	1.0
280.14990	1.0
295.10355	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86383	0.8
53.47078	0.9
53.97388	0.8
54.82476	1.0
57.00085	0.8
57.03440	2.1
58.00576	1.1
58.02977	1.3
59.01382	89.0
61.39502	1.0
71.00987	1.5
71.01378	37.3
72.99314	2.0
73.02932	2.5
74.02461	5.0
75.00861	4.2
83.01386	2.4
85.02946	14.9
87.04498	2.1
88.04038	5.8
89.02437	36.6
90.28946	1.1
92.80866	1.2
95.01327	1.7
97.02917	1.8
101.02430	22.6
113.02468	13.4
115.04013	7.6
117.44234	1.2
119.03474	14.9
130.05057	1.7
130.08713	2.7
133.05074	15.3
134.04686	1.9
137.55827	1.0
159.03030	1.8
160.03349	1.7
160.06169	11.8
161.04640	1.5
179.05548	1.2
254.81761	1.2
295.10345	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45200	0.9
54.75237	0.7
55.01863	0.9
58.00596	1.6
58.49253	0.7
59.01384	100.0
71.01378	40.2
72.99300	2.1
83.01367	1.7
85.02936	10.2
89.02438	48.1
95.01392	3.6
99.00890	1.1
101.02431	23.4
110.96564	0.8
113.02442	15.1
119.03485	20.0
143.03497	0.9
173.31624	0.8
179.05611	1.4
295.10345	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
54.97973	0.4
59.01375	0.7
63.51326	0.5
71.73399	0.5
83.06476	0.6
83.87226	0.4
86.83057	0.4
86.99676	0.5
96.17020	0.5
125.09706	0.9
141.12883	0.7
151.11276	1.1
169.12340	4.4
197.11882	3.0
251.23921	0.5
277.21686	9.9
295.22803	100.0
296.22946	1.0
311.62064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
57.70300	0.8
59.01376	5.2
85.47468	0.8
209.15475	59.6
223.17035	19.9
233.22726	1.3
277.21729	88.9
295.22787	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.31119	0.6
59.01384	0.6
64.34177	0.7
65.38054	0.5
83.11483	0.7
125.09758	0.9
145.89983	0.6
171.10278	22.2
195.13905	9.2
197.96591	0.6
239.93205	0.6
277.21747	45.7
278.73053	0.8
295.22794	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.82608	0.5
54.98859	0.5
57.03422	0.7
59.01381	1.4
92.11716	0.9
133.49057	0.7
171.10263	35.4
184.93564	0.7
247.07242	0.7
247.75854	0.8
248.03258	0.8
249.37917	0.9
260.88864	0.7
277.21725	69.0
278.22089	1.3
295.22784	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	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82610	0.3
55.06402	0.3
55.48112	0.3
57.03450	0.6
59.24581	0.3
72.87987	0.3
73.11467	0.3
73.28577	0.3
75.90111	0.4
111.08141	0.7
113.09705	1.3
127.11292	1.9
165.12865	2.4
179.14404	0.4
240.43105	0.4
251.23891	0.6
277.21790	0.6
295.22784	100.0
296.23022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82806	0.7
57.03450	0.9
59.01387	1.9
59.85739	0.7
65.87117	0.9
73.25304	0.6
74.94534	0.7
99.08141	1.4
113.09729	2.0
177.12851	1.0
179.14302	1.2
183.13904	3.5
195.13904	24.6
238.60178	0.8
277.21747	27.5
295.22803	100.0
296.23038	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	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04592	0.6
53.42210	0.6
54.82409	0.7
59.01398	1.2
60.91826	0.7
65.33079	0.7
92.11674	1.2
94.39647	0.7
116.38692	0.8
155.10777	1.3
171.10265	47.7
183.10283	5.0
277.21725	73.3
293.21497	1.0
295.22781	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	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82361	0.5
58.84116	0.4
59.01370	0.5
64.51780	0.4
68.18900	0.4
76.56925	0.5
92.12312	0.5
92.65070	0.5
98.14734	0.4
109.06638	0.5
127.11276	2.1
136.64032	0.4
141.12854	11.3
155.14401	4.6
195.13637	0.4
249.22250	12.0
270.31091	0.5
277.21725	1.1
295.22791	100.0
296.23062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81757	0.6
59.01384	100.0
68.69370	0.7
97.13219	0.8
98.76891	0.7
109.25360	0.9
117.16909	0.7
118.52916	0.8
137.14098	0.8
162.71950	0.7
171.10326	1.2
277.21820	5.4
295.22800	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2643
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
50.26506	0.4
53.30084	0.5
56.91965	0.4
56.99216	0.4
62.08035	0.4
90.35561	0.4
135.25919	0.4
138.46968	0.4
192.99097	0.4
228.08488	0.6
295.26425	100.0
296.26672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0997
Annotation	2'-O-Methylguanosine
Peak:m/z	Relative Intensity
52.67012	0.6
59.01137	0.9
59.01386	13.3
61.98827	3.8
66.00956	1.6
71.01360	4.0
73.92848	0.8
75.06290	0.7
78.95884	1.1
80.96510	0.8
82.04106	1.2
89.02435	3.3
96.95992	1.0
103.99101	0.8
106.02843	5.6
107.03630	6.3
108.02034	11.2
116.92845	7.9
117.05545	1.1
119.03557	1.7
121.05127	1.2
125.04720	1.1
126.03087	16.5
133.01550	45.0
134.03592	0.9
149.03421	8.0
150.04211	100.0
151.02617	21.4
151.04520	1.1
162.04205	2.0
164.05788	19.5
164.07121	1.4
191.04501	4.1
206.06810	2.8
295.09964	1.3
296.10037	85.8
297.08279	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03325	0.2
53.81521	0.2
55.01872	0.2
59.01391	2.0
60.33179	0.2
71.01381	1.2
73.02944	56.1
89.02445	1.3
99.00879	6.6
115.00332	0.2
116.07192	1.2
116.92873	0.9
117.01937	100.0
117.07513	0.3
118.02288	0.4
151.48447	0.2
181.07210	0.3
224.50006	0.2
239.93234	0.2
297.11520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
55.82230	0.2
59.01386	4.3
61.98835	0.4
71.01388	1.4
73.02948	57.2
74.03313	0.3
78.95896	0.3
84.23221	0.2
89.02453	1.2
92.12392	0.4
96.96042	0.8
99.00870	7.6
101.02427	0.8
116.92860	2.9
117.01940	100.0
119.03398	0.2
120.74536	0.2
135.06676	0.2
186.43172	0.2
224.52832	0.2
237.09770	0.4
297.11667	1.0
297.24442	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	297.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45929	0.3
56.08005	0.3
57.03431	0.3
57.37935	0.2
59.01387	4.9
61.98833	0.6
62.36291	0.3
71.01367	0.6
72.00890	1.4
73.02926	0.3
73.16440	0.3
84.79087	0.3
89.02455	0.4
95.73452	0.4
96.96017	1.9
101.02377	0.4
108.02045	13.3
116.92835	1.5
117.05569	5.3
120.09921	0.3
126.03096	1.6
133.01596	0.4
135.64616	0.3
143.28983	0.3
147.04547	0.6
150.01796	1.3
150.04268	0.5
151.02618	100.0
163.02623	2.0
163.94348	0.5
164.05841	0.5
164.07169	1.3
192.02907	1.3
207.05278	2.8
217.03784	0.4
220.90106	0.4
247.04752	0.4
265.05804	0.6
297.08414	42.7
297.24323	1.9
298.01627	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	297.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
57.03443	9.0
59.01112	2.9
59.01384	63.5
61.98821	3.6
66.97942	1.6
69.03442	6.9
71.01379	60.7
72.99295	2.6
73.02945	21.1
83.01389	2.0
85.02940	21.9
89.02429	9.7
93.51067	1.5
96.95975	1.9
97.02937	9.4
101.02433	90.8
113.02429	9.2
115.04001	7.0
128.90123	1.5
131.03479	2.2
133.06586	1.8
159.09941	1.9
161.04506	2.5
163.06107	100.0
176.54147	1.5
177.86960	1.7
180.06703	2.0
218.33600	1.7
248.12943	1.5
289.90784	1.5
297.13553	13.6
297.24384	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	297.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.4
57.03452	11.5
59.01386	65.2
69.03457	2.3
70.89589	2.0
71.01388	70.2
73.02944	19.2
77.07830	2.4
81.03461	2.1
83.01401	2.5
83.05022	16.6
85.02940	26.1
89.02452	5.2
97.02957	10.0
101.02440	100.0
113.02446	15.2
131.03526	4.6
133.06615	3.3
145.04994	2.4
161.04608	3.0
163.06113	79.8
173.97659	2.6
181.15961	2.4
215.10732	4.2
237.16112	4.9
259.09900	2.8
297.13474	59.7
297.24316	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	297.1346
Annotation	Pseudoanisatin
Peak:m/z	Relative Intensity
50.05858	1.1
55.01910	1.5
56.70330	1.2
57.03459	9.7
59.01391	19.3
59.58451	1.4
61.98820	1.5
69.03476	2.6
71.01392	2.0
71.05033	2.7
73.02951	10.2
79.05518	2.5
81.03458	3.1
83.05017	7.5
85.02958	1.6
85.06607	1.5
89.02438	1.6
93.03459	8.5
95.01382	1.9
95.05016	26.0
96.96010	2.1
97.02962	3.5
97.06595	14.7
99.04538	3.0
100.99330	1.3
107.05040	2.8
109.02928	3.4
109.06586	8.0
111.00841	2.4
111.04526	5.9
111.08170	22.0
113.06094	9.4
115.03993	6.2
121.02966	2.2
121.06560	16.1
121.38984	1.4
122.03748	27.9
123.08147	6.5
124.05309	5.9
125.06057	6.8
127.07680	1.8
131.18243	1.5
133.06578	1.7
135.04512	2.3
135.08163	8.1
136.05368	2.1
137.02458	9.0
137.06093	63.3
137.09727	6.8
139.07655	100.0
147.08156	1.6
149.02487	5.9
149.06155	2.4
149.09769	2.0
151.07654	7.2
151.53940	1.7
153.09265	3.5
155.07149	6.7
161.09621	2.5
163.07684	1.9
164.04774	5.8
169.10263	13.6
171.08028	1.8
171.10286	2.6
174.05550	3.0
175.11261	7.5
177.12801	1.9
179.07037	2.6
185.09772	1.7
187.11316	31.3
193.12331	3.7
199.11298	2.0
203.10797	3.0
205.12366	24.5
217.12335	6.8
223.13409	2.4
235.13422	18.1
253.14471	95.1
254.14786	2.8
297.10071	2.1
297.13428	50.0
297.24429	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	297.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12965	0.3
54.82948	0.3
59.01355	0.5
65.98438	0.3
79.95731	1.8
109.01351	0.3
109.29026	0.3
119.04989	1.4
120.29772	0.3
133.82193	0.3
137.66399	0.3
170.00426	1.1
183.01205	71.3
184.01897	2.0
197.02777	1.6
198.03551	1.3
216.01004	0.6
225.05940	0.6
230.02669	0.6
239.07521	0.6
297.15305	100.0
298.15585	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	297.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46675	0.4
57.01384	0.4
119.94202	0.5
148.91350	0.4
157.76314	0.5
164.06416	0.4
183.13960	1.9
199.13377	4.7
279.23279	8.9
295.22815	1.1
297.24350	100.0
298.24759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04338	0.4
54.15971	0.5
58.83838	0.5
58.84159	0.4
71.90296	0.4
76.52402	0.4
140.50345	0.5
155.10770	4.5
171.10248	6.8
265.97723	0.5
279.23303	12.3
297.24359	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	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.68059	0.5
57.86391	0.5
59.01390	100.0
72.99691	0.6
93.63402	0.8
116.92835	3.2
165.46764	0.6
183.01193	5.5
264.75595	0.6
297.15332	5.5
297.24356	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.48615	0.2
56.67602	0.2
92.11702	0.5
125.09709	0.4
127.11276	2.4
153.12878	0.4
171.10278	12.2
179.37308	0.2
183.01117	0.3
183.13890	0.3
251.23808	0.4
261.22250	1.0
279.23315	15.8
295.22818	0.9
297.24387	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	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42861	0.1
79.88641	0.1
82.64596	0.1
109.65508	0.2
115.39019	0.2
124.12274	0.2
183.01204	0.4
251.23836	1.4
279.23441	1.4
295.22845	1.1
296.23215	0.2
297.24374	100.0
298.24646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33593	0.7
76.36173	0.7
92.12473	1.0
128.16753	0.9
183.13902	58.6
195.26059	0.8
279.23315	9.0
281.75589	1.0
297.24368	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	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
57.03444	1.4
59.01369	2.2
59.86035	0.3
64.13068	0.4
65.54381	0.3
88.27701	0.3
90.02329	0.3
96.61365	0.3
111.08155	0.6
113.09719	6.2
114.38178	0.4
116.92856	1.9
121.06604	0.4
132.21393	0.3
139.11296	2.1
157.08702	12.7
167.14391	0.4
183.01221	3.4
183.10278	0.5
183.13898	0.6
199.13426	4.8
201.96094	0.4
251.23810	0.7
279.23303	14.1
295.22629	0.5
296.23138	2.6
297.15524	4.0
297.20773	4.0
297.24341	100.0
298.24817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09326	0.5
59.01394	9.5
61.98826	2.0
71.01375	1.1
72.00920	10.4
72.99332	0.5
74.02485	18.0
89.02457	0.6
93.03464	6.4
96.95998	0.9
101.02407	0.5
114.61387	0.5
116.05068	55.1
116.92844	0.7
130.06628	2.5
137.02464	8.6
142.06641	15.1
157.07732	0.7
159.09293	12.2
161.04785	0.6
174.99225	2.1
176.06961	0.6
179.03523	3.9
183.29596	0.5
186.05611	2.0
194.00121	0.5
203.08302	100.0
217.00285	4.6
222.46346	0.6
239.05730	2.0
240.85883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
55.01873	0.3
57.93238	0.3
59.01107	0.5
59.01386	12.0
60.31358	0.3
65.03954	0.3
68.15802	0.2
71.01385	2.2
73.02940	0.4
85.02951	1.3
92.11794	0.4
93.03451	89.0
96.95936	0.3
97.19873	0.2
101.02446	0.6
113.02439	0.6
133.91713	0.3
137.02444	100.0
141.98254	0.3
161.04526	0.4
172.59230	0.3
174.99248	3.5
179.62209	0.2
217.00319	9.2
299.07629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
61.98844	0.8
74.99084	1.6
76.77102	0.4
79.95734	8.3
80.96513	6.7
84.86100	0.3
85.02967	0.3
87.45520	0.3
92.23179	0.3
92.92828	0.5
96.39077	0.3
103.34258	0.3
106.98100	0.5
108.02189	0.5
109.02964	2.0
115.66069	0.4
123.00873	4.3
124.00744	17.4
124.01653	2.5
138.03206	3.1
139.03987	3.3
143.64986	0.4
160.01701	0.5
174.99222	2.6
175.11322	0.5
177.09215	0.4
195.03516	0.4
204.06726	0.6
204.96646	0.4
211.04323	0.5
217.00330	5.9
221.11876	0.6
239.13013	0.8
247.10970	0.8
248.11723	2.1
263.14148	2.2
285.03192	4.0
299.06769	0.4
299.15149	1.3
300.05481	14.3
300.08551	0.6
319.97992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2017
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
59.01132	0.3
59.01380	4.2
59.99941	0.3
61.62501	0.4
62.07835	0.3
69.15518	0.3
69.95830	0.3
72.31651	0.3
77.60397	0.3
79.96037	0.3
86.37952	0.3
107.25408	0.3
116.92828	1.7
126.48051	0.3
168.60269	0.3
174.99202	1.2
179.57362	0.3
198.33881	0.3
217.00252	2.9
239.20094	0.4
271.84314	0.4
281.24936	0.3
299.20169	100.0
299.25806	4.6
300.20486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	(S)-2-Hydroxystearate
Peak:m/z	Relative Intensity
57.03450	2.7
59.01110	0.6
59.01387	13.9
71.01369	0.5
71.05022	12.0
73.17632	0.5
85.06592	0.8
94.98402	0.5
113.71396	0.5
116.92860	4.2
117.92924	0.6
174.99310	0.9
211.20697	9.6
217.00334	1.0
225.22253	14.5
228.32616	0.6
239.20184	80.7
240.20624	0.7
253.25377	24.5
281.24847	2.6
297.24335	3.1
299.25934	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	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.01855	0.8
62.46017	0.5
88.24756	0.7
92.01895	0.7
118.46797	0.6
225.22235	0.7
248.93901	0.7
249.22215	0.8
251.23769	6.0
253.25380	70.3
281.24924	2.2
298.59857	0.6
299.25931	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	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01388	3.5
59.91031	0.3
60.08731	0.2
84.99715	0.3
87.74303	0.3
97.04402	0.3
99.03931	0.3
104.13677	0.4
116.92850	0.6
119.15369	0.3
123.46477	0.3
137.70837	0.3
141.12859	2.8
142.08575	0.3
155.14491	0.5
174.99301	0.4
217.00359	3.8
244.45079	0.4
250.40666	0.3
253.25320	1.7
281.24829	3.2
297.24368	0.6
298.24829	0.4
299.20227	8.2
299.25922	100.0
300.26187	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	299.2595
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
53.13950	0.5
54.82860	0.5
55.92392	0.5
57.70543	0.5
59.01388	100.0
60.81476	0.5
61.98820	0.5
64.51746	0.5
70.13163	0.5
75.92192	0.5
81.60342	0.5
85.18217	0.5
87.26241	0.5
99.92532	0.6
116.92860	6.1
137.25557	0.5
253.25397	0.9
299.25943	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05135	0.4
59.01389	10.0
61.98826	0.5
77.84306	0.4
89.87128	0.4
90.09769	0.4
94.42525	0.4
109.08315	0.5
110.12077	0.4
116.92860	3.9
125.09720	0.5
127.11286	1.8
155.14464	2.7
174.99216	2.3
217.00316	8.8
253.25401	2.1
281.24878	1.6
297.24265	1.0
298.24768	0.4
299.25940	100.0
304.28732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0551
Annotation	Fenhexamid
Peak:m/z	Relative Intensity
53.45971	0.8
54.78117	0.7
55.85913	0.8
56.84521	0.7
59.01387	48.8
60.01705	1.4
60.59393	0.8
61.98815	0.9
69.37475	0.8
79.62943	0.8
79.95734	50.5
80.96514	33.1
91.97060	1.0
92.92778	1.5
94.58739	0.8
95.37281	0.9
96.96058	0.9
106.98078	4.7
119.12019	0.8
119.18507	1.0
120.99654	0.9
121.99126	1.0
124.00730	100.0
134.03793	1.0
160.05406	1.1
201.91077	1.1
203.05966	2.1
204.06664	1.8
218.00603	1.6
285.03143	26.4
287.26163	1.0
295.80005	1.1
300.05502	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78959	0.1
61.71126	0.1
61.98838	100.0
71.66637	0.1
82.34327	0.1
119.05042	0.2
123.90811	0.1
145.02896	0.2
185.22701	0.1
246.58347	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	300.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93336	0.1
55.99537	0.2
59.01389	0.3
59.27548	0.1
59.65018	0.1
61.98833	100.0
73.91084	0.1
116.64825	0.2
133.02957	0.6
190.25122	0.2
261.74649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82602	0.3
58.02925	0.2
59.01382	100.0
59.33258	0.3
60.95528	0.2
64.96502	0.3
114.92035	0.3
115.02496	7.3
117.00429	16.1
141.00383	0.4
156.90363	0.3
156.93105	1.6
157.03574	2.5
158.92836	1.2
159.01483	95.7
160.01616	0.7
201.02548	22.7
203.02444	0.4
217.00569	1.2
257.03531	0.3
259.01639	3.2
272.23291	0.3
301.02686	42.7
302.02863	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0715
Annotation	Gnetifolin A
Peak:m/z	Relative Intensity
59.01371	1.0
84.62611	0.4
112.38051	0.4
121.02941	0.5
136.01678	0.7
136.17206	0.4
143.04982	0.6
144.54910	0.4
149.02356	3.4
152.96095	0.4
159.04523	0.6
171.04514	2.6
173.05963	0.4
184.14110	0.4
185.06088	0.5
186.03183	0.8
187.03983	6.2
195.39305	0.4
198.34499	0.4
199.03996	3.5
200.46013	0.5
201.05592	2.1
211.04007	2.6
212.04779	10.5
213.01968	0.9
214.02605	0.5
215.03491	18.3
227.03455	7.6
228.04124	0.8
229.05060	3.7
230.05934	0.5
239.03477	16.3
240.04271	8.1
241.05016	0.9
242.02173	2.2
243.02943	22.4
253.05052	1.6
254.02170	5.5
255.02957	1.0
256.03839	0.6
257.04529	16.1
258.05243	1.9
267.02893	5.1
268.03781	7.9
269.04517	31.6
270.01578	0.7
271.02472	10.0
285.04019	53.5
286.04810	65.4
287.05200	0.7
301.07156	100.0
302.07455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Hesperetin
Peak:m/z	Relative Intensity
59.01367	0.6
59.66332	0.2
63.02400	12.2
65.00323	18.3
68.93747	0.2
69.42459	0.2
74.06411	0.3
79.53045	0.3
80.02669	2.8
83.01381	13.0
92.11738	0.6
107.01383	32.8
108.02169	18.8
108.02901	0.6
121.02933	0.4
123.00832	0.6
123.04498	3.3
124.01664	0.7
125.02414	0.6
132.02129	0.3
134.03726	53.8
135.04532	2.2
136.01648	11.6
137.44975	0.3
149.06075	29.7
151.00366	59.2
152.01024	0.3
163.89117	0.3
164.01146	19.0
165.01936	3.2
169.01440	3.8
174.03189	2.1
175.04085	1.1
175.29161	0.3
177.01918	8.4
196.00128	6.8
199.03937	0.5
201.01978	1.7
215.03537	1.2
216.04370	0.4
241.05095	0.5
242.05923	0.6
268.03717	0.3
285.04074	2.0
286.04819	2.6
301.07193	100.0
302.07559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82563	0.4
56.29822	0.5
59.01370	2.3
59.04974	0.4
61.98823	0.7
63.11984	0.5
67.85331	0.4
80.75438	0.4
82.39290	0.4
100.69456	0.4
109.06611	0.4
116.05047	0.5
119.05051	0.8
120.99646	100.0
134.03775	0.5
138.96049	0.5
145.49379	0.5
160.81189	0.4
213.05939	1.1
263.19354	0.4
264.93106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.8
61.98825	0.8
80.03362	0.4
82.04092	0.5
82.95416	1.0
86.84251	0.4
92.65399	0.4
96.95981	2.2
99.37103	0.4
107.03617	1.8
107.90555	0.4
108.02041	0.9
121.95054	0.4
125.04676	100.0
126.03091	2.8
126.04995	0.5
137.02449	0.7
241.05937	0.6
241.09497	13.2
278.31070	0.5
283.41827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97510	0.5
61.75725	0.2
61.76248	0.2
62.59977	0.2
69.24225	0.2
74.99052	0.4
81.35459	0.2
118.96238	0.3
134.99390	7.2
136.97318	3.4
141.07388	0.3
150.98871	0.6
159.08452	2.1
161.06387	8.7
166.48985	0.3
180.20961	0.3
201.04149	0.5
203.05679	4.1
205.03610	1.3
213.04297	0.3
215.05716	1.6
217.07225	100.0
218.07364	1.5
235.08240	0.6
250.84192	0.3
261.06232	0.4
283.11826	0.5
285.13489	42.1
286.13705	0.5
301.16620	90.2
302.16739	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	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
54.82297	1.1
57.03455	0.7
58.00579	1.5
59.01382	6.4
61.98824	2.7
63.02387	0.6
65.00314	0.6
71.84561	0.6
72.99326	0.6
73.02933	1.2
74.02087	0.7
74.02464	4.5
95.05022	1.3
97.06576	16.1
99.08145	10.9
100.00375	1.1
108.02173	1.0
108.70926	0.7
109.06590	3.4
111.08138	1.1
113.28191	0.7
123.08189	1.0
125.06056	3.4
125.09658	1.1
126.40559	0.7
127.07673	2.9
127.11263	4.0
129.09218	1.5
133.58537	0.7
134.03775	2.7
137.02405	1.3
137.06082	8.7
139.11290	7.1
143.07132	36.2
149.06087	1.3
151.00357	1.5
155.07150	6.6
155.10768	3.7
157.08650	1.4
173.08163	10.4
187.09602	0.7
215.93565	0.7
219.97781	0.7
247.17036	1.0
255.13493	4.2
265.14517	0.7
265.18045	4.2
283.19135	3.3
301.07205	5.1
301.20203	100.0
302.20465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21553	0.7
59.01409	8.3
61.98830	4.3
65.32632	0.7
67.22438	0.7
71.02485	0.9
74.02458	2.0
80.08075	0.9
85.83916	1.1
97.06598	14.0
99.08154	10.7
107.01427	1.0
109.06583	4.9
111.08176	1.1
121.10221	1.1
122.83179	0.8
125.06087	2.2
127.07629	1.8
127.11294	2.1
128.92802	0.9
129.09128	1.1
134.03714	1.6
136.54791	0.9
137.06082	7.6
139.11299	7.6
143.06081	1.7
143.07146	35.5
151.00342	1.3
155.07094	7.2
155.10818	0.9
156.21577	1.1
157.08734	1.3
160.05904	0.9
173.08202	11.9
219.69060	0.9
255.13509	1.9
255.16982	0.9
265.14511	1.4
265.18182	1.4
276.59308	0.9
283.19171	4.3
301.07114	4.0
301.20212	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	301.2024
Annotation	Koninginin G
Peak:m/z	Relative Intensity
50.99100	0.5
57.03440	2.4
59.01392	4.0
61.98834	1.4
67.96853	0.5
69.03449	1.0
71.05029	0.9
73.12737	0.6
83.05029	1.3
84.02179	0.6
85.02932	0.7
95.05003	1.0
97.06582	8.2
99.04511	0.5
99.08148	12.0
109.06586	1.1
127.07631	0.8
127.11252	4.3
128.14281	0.5
129.09236	1.2
132.08194	0.6
137.09743	2.5
139.07703	0.7
139.11288	7.1
143.07112	2.3
155.10796	6.0
155.53731	0.6
165.09123	0.7
183.10262	33.1
183.74683	0.7
201.11337	15.6
217.09776	0.5
247.66937	0.6
265.18201	2.0
267.18976	0.6
283.19214	0.6
286.04916	1.2
301.07251	2.6
301.20230	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	301.2025
Annotation	Emedastine
Peak:m/z	Relative Intensity
57.03468	2.1
59.01397	6.9
60.43823	0.9
61.98836	2.0
69.03495	1.0
83.05006	1.0
83.31270	0.9
85.02966	1.2
97.06567	7.9
99.08160	11.6
126.75891	1.1
127.11273	4.9
137.09706	1.3
139.11264	11.8
143.07115	9.3
155.10814	7.1
179.72946	0.8
183.10258	27.5
201.11322	15.2
301.20224	100.0
302.20566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.0
64.31768	0.7
101.64742	0.7
116.57473	0.9
134.69832	0.6
204.99466	0.7
215.90230	0.7
227.20114	0.8
259.20349	0.7
301.21747	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	301.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
60.28890	0.2
64.34707	0.3
80.42513	0.3
85.61588	0.3
89.05138	0.3
92.11725	0.3
92.50374	0.3
95.87239	0.4
99.62539	0.3
105.34052	0.3
126.26971	0.3
249.46111	0.4
277.38141	0.3
301.21732	100.0
302.22147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2172
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
51.12012	0.2
52.33853	0.2
67.87784	0.3
82.72930	0.2
92.11816	0.4
170.09889	0.3
301.21747	100.0
302.22113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.8
61.98827	2.2
66.32827	0.4
76.36619	0.4
84.04542	100.0
88.40530	0.3
89.43848	0.4
96.04517	0.4
166.12361	51.6
188.76010	0.4
200.21701	0.4
208.98181	0.4
210.11505	0.6
302.95221	0.5
316.52209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.3
60.92737	0.7
61.98838	1.8
74.02469	0.8
84.04549	1.5
85.02964	0.8
96.53534	0.8
102.05605	100.0
116.05051	4.6
121.02869	0.8
128.03534	69.8
130.06651	1.0
144.04556	4.1
146.04604	67.7
146.06097	6.9
156.04562	4.3
173.07201	1.2
174.05615	9.2
215.08278	0.8
259.07294	1.0
259.10870	5.1
281.96078	0.9
285.08893	5.9
303.06271	1.6
303.09888	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06894	1.2
53.10386	1.1
55.78563	1.4
59.01153	1.3
59.01389	22.9
61.98830	3.6
73.17638	1.3
87.92561	1.7
103.92058	1.8
104.40604	1.5
113.07160	1.8
116.05057	2.2
125.94712	1.4
137.09740	5.6
155.10771	100.0
171.10263	33.2
179.14828	1.3
199.09769	32.1
217.10822	84.2
259.11932	21.0
282.34363	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	303.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65180	0.3
59.01366	1.6
86.40282	0.4
87.95776	0.4
88.33747	0.3
95.47349	0.4
99.89046	0.3
114.09436	0.3
116.05091	3.9
118.06610	0.9
128.05014	6.5
130.08723	100.0
131.03745	0.8
132.04541	6.4
144.04546	30.5
146.06114	47.0
147.06450	0.4
156.06641	1.9
158.45267	0.4
160.04201	0.4
162.05560	4.1
172.04044	11.9
180.93561	0.4
189.06708	1.5
198.12907	0.6
241.13518	0.8
259.14551	3.3
285.12793	0.4
303.13525	39.2
303.21527	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	303.1352
Annotation	NSC 177499
Peak:m/z	Relative Intensity
57.14401	0.4
59.01384	1.0
61.98834	1.0
63.90832	0.4
66.17821	0.4
71.94299	0.5
75.04974	0.6
80.54774	0.4
83.32333	0.4
102.59241	0.4
116.05042	4.6
118.06668	0.7
128.05075	6.2
130.08734	100.0
131.03763	1.0
132.04570	7.6
144.04555	30.9
146.06125	44.8
156.06631	0.9
162.05598	2.5
172.04047	13.7
189.06726	1.9
191.33781	0.5
210.21597	0.5
241.13387	0.8
259.14474	3.5
278.32803	0.5
303.13535	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1968
Annotation	1,2,4,5-Tetrahydrotestolactone
Peak:m/z	Relative Intensity
51.94355	0.2
59.01378	1.2
60.99326	1.5
61.98832	0.4
92.11767	0.4
103.92052	0.3
116.08577	0.2
130.85239	0.2
159.99196	0.2
161.96227	0.2
168.08629	0.2
243.17503	1.7
259.20691	13.2
267.89243	0.2
277.21747	10.3
278.22290	0.3
303.19681	100.0
304.19925	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46841	0.3
57.92988	0.3
59.01389	3.0
60.99308	1.7
61.98833	0.6
72.19750	0.3
147.15959	0.4
180.02731	0.4
199.93979	0.5
211.33955	0.3
220.99481	0.5
227.14546	0.4
234.71407	0.4
243.17520	8.1
259.20663	15.2
277.21683	7.8
280.31720	0.4
303.19681	100.0
304.19995	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	303.2331
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
51.73422	1.0
54.82378	1.3
58.89502	1.1
59.01384	1.3
61.60063	1.2
61.98816	1.1
88.69849	1.3
99.04481	2.6
117.56329	1.4
118.47798	1.3
163.11789	1.4
167.01489	1.3
186.47395	1.3
199.65959	1.3
220.05783	1.5
222.51486	1.4
303.23285	100.0
304.23602	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	85.9
60.01716	7.1
61.01811	0.8
61.98834	100.0
66.19151	0.6
78.95882	3.4
89.49338	0.8
96.95987	1.0
103.93661	0.7
115.02516	1.6
117.00407	4.0
117.02267	1.1
118.00564	3.7
119.00157	8.4
136.94000	1.1
159.01486	18.7
160.01604	24.7
161.01198	29.9
161.98947	19.8
162.01620	4.9
168.13930	0.9
178.95076	0.8
201.02562	3.5
202.02751	7.0
203.02235	6.0
203.99969	4.6
204.02734	1.5
261.01437	0.8
303.02444	12.1
303.99976	10.5
304.02728	24.4
304.32535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75430	0.2
55.94555	0.1
59.01381	0.7
61.98834	0.2
76.30383	0.2
78.95901	5.1
79.95741	1.8
85.02950	0.2
87.92554	0.3
93.33856	0.2
96.96005	100.0
96.96896	7.5
103.92010	0.3
104.92757	0.2
118.43877	0.1
119.05004	0.3
120.04583	0.2
123.03297	0.2
123.94750	0.2
126.47565	0.2
130.08777	0.8
134.06099	0.2
145.96738	0.2
147.03319	1.0
152.89455	0.2
156.10277	0.2
160.04033	6.9
162.05609	12.7
178.05116	0.2
188.03528	0.4
205.18599	0.2
206.04605	8.1
215.99805	0.7
218.01389	0.7
224.09297	0.3
233.00031	0.4
234.00841	0.2
244.00211	0.2
248.99481	0.3
258.00787	0.2
260.02420	0.2
262.00394	0.9
282.73944	0.2
304.01447	2.4
304.14127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98832	100.0
67.48962	0.2
71.34575	0.1
85.67090	0.2
87.92529	1.0
96.96021	0.2
103.92003	1.9
104.92802	0.7
105.93555	0.2
109.67879	0.2
116.92832	1.6
117.05645	0.2
123.94640	0.4
145.96750	1.5
147.04550	0.3
147.55840	0.2
160.04091	0.3
161.96237	0.3
164.07195	0.3
193.16109	0.2
199.94243	0.9
231.35959	0.2
270.31528	0.2
302.06973	0.2
304.49228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01153	1.1
59.01390	17.8
59.93488	1.0
61.98833	1.1
66.36747	1.0
71.01377	29.6
71.82249	1.0
73.02950	1.2
78.91868	2.0
83.05016	1.1
85.02934	6.0
85.55636	1.1
88.04037	97.9
96.95991	1.6
98.02474	1.7
104.92944	1.0
105.11016	1.1
111.04523	1.2
114.01941	1.9
114.99564	1.8
115.00359	42.9
116.03498	1.0
116.05048	13.4
128.05058	13.0
131.03789	2.0
132.03021	48.1
132.04488	9.1
141.09189	1.3
144.04552	76.7
145.08597	1.3
146.06123	100.0
162.05612	13.7
171.05644	9.5
172.04054	28.6
184.41772	1.1
188.90256	1.2
189.06699	71.3
190.05106	19.7
199.08784	5.3
219.12343	1.2
243.07845	1.7
261.08832	24.3
287.06714	2.5
305.07831	86.4
305.15878	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	305.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37221	0.9
54.42118	1.2
59.01388	9.2
69.29964	1.2
71.01393	30.2
72.90421	1.1
74.02455	1.9
81.21919	1.1
82.76725	1.1
88.04044	100.0
96.96014	1.2
98.02432	1.7
114.01943	2.4
115.00379	42.4
116.05075	14.9
128.05070	12.7
131.03773	1.7
132.03032	45.0
132.04515	10.9
144.04553	75.3
146.06125	90.6
162.05644	12.0
171.05627	7.4
172.04065	23.7
189.05037	2.7
189.06703	69.8
190.05127	16.4
199.08850	2.7
243.07709	1.4
261.08835	22.6
287.06802	2.8
305.07822	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.5
64.34563	1.2
71.01382	29.9
78.91882	1.1
81.60758	1.3
88.04037	100.0
96.01463	1.3
99.56068	1.3
114.01962	2.4
115.00374	39.8
116.05094	11.9
128.05028	13.7
131.03749	2.9
132.03027	44.1
132.04523	10.9
138.65575	1.2
144.04549	68.8
145.04912	1.3
146.06131	92.1
147.06514	1.6
151.10741	1.1
153.97879	1.4
160.86557	1.4
162.05632	12.5
166.73628	1.3
170.04926	2.7
171.05661	8.1
172.04028	24.8
177.41806	1.4
189.06688	68.0
190.05119	16.1
192.73459	1.3
199.08791	2.5
235.73268	1.3
243.07719	1.3
261.08798	20.4
284.98615	1.2
287.06921	2.5
305.07843	83.3
305.15759	1.5
306.08087	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90895	0.5
54.40641	0.6
54.82610	0.6
59.01368	3.0
61.98826	1.5
66.59450	0.7
71.01378	9.6
72.00906	16.7
72.04536	4.2
82.66731	0.6
83.05058	0.8
88.04037	6.5
92.12415	2.2
98.02451	6.1
100.04065	5.7
109.84489	0.6
115.00357	7.8
116.05051	14.7
121.02987	0.9
126.01966	1.5
128.05055	13.4
130.06615	100.0
131.06960	1.1
132.03006	3.9
141.04587	5.5
143.06158	2.8
144.03035	11.3
144.04552	13.2
145.04939	0.7
146.06122	23.2
156.04535	13.3
156.08192	1.2
171.05647	30.1
172.03999	3.3
172.05765	0.8
188.02075	6.0
189.06758	7.5
190.05141	5.4
199.08765	14.9
202.35925	0.7
226.05037	3.9
243.07703	3.8
272.09561	0.7
287.06729	12.5
305.07806	26.1
306.07870	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1299
Annotation	N-Cinnamoyl Serotonin
Peak:m/z	Relative Intensity
52.89135	0.1
52.95837	0.1
53.58710	0.1
57.72760	0.1
59.01379	1.0
91.75868	0.2
92.11696	0.7
93.03454	0.4
103.79952	0.2
110.71117	0.1
116.05086	0.3
117.03462	4.7
119.05019	100.0
120.04541	0.9
120.05369	1.2
121.02939	0.4
127.95825	0.2
129.05849	1.3
130.06618	1.2
131.05045	0.3
132.05804	4.7
144.04553	0.4
145.02956	19.8
157.07704	0.8
159.09279	42.2
160.04027	0.2
160.09636	0.2
161.04791	0.8
162.05608	7.7
174.05582	1.7
180.99231	0.2
185.07210	0.2
235.00024	0.2
271.26910	0.2
305.12988	50.3
306.13251	1.6
306.69220	0.2
329.20978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.5
61.98820	2.5
62.30499	1.3
66.51192	1.3
71.01374	2.1
74.02448	2.3
74.29501	1.3
77.20520	1.4
79.95669	1.8
92.20660	1.5
92.21212	1.5
96.12035	1.3
96.96006	5.9
116.07191	13.3
119.05023	2.6
120.99596	1.6
121.02923	9.1
128.03490	2.3
132.04518	2.3
133.02950	11.7
134.03728	73.8
135.04530	17.0
137.02435	3.0
147.04478	2.2
148.05286	9.5
149.06076	73.4
150.03186	2.2
160.03999	9.8
161.02493	12.9
161.04678	3.0
161.06052	17.2
162.03293	1.6
162.05602	19.6
163.03847	1.5
173.33534	1.5
175.02692	10.1
176.03564	17.7
180.21065	1.7
188.03491	11.3
190.05101	20.3
194.02182	2.1
195.33110	2.0
201.11304	3.1
204.06664	34.8
209.04436	2.6
218.08113	2.0
245.24911	1.4
247.10658	2.8
289.11972	100.0
290.12762	37.3
299.50098	1.6
305.11200	11.2
305.15033	85.7
306.15555	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	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03425	2.7
58.92458	1.9
59.01389	73.1
61.98818	2.8
62.89012	1.7
64.17172	1.8
65.03962	3.0
67.26584	1.9
69.20899	1.8
71.05026	13.2
71.23730	1.8
79.05524	19.0
97.06586	18.1
105.85191	2.4
106.04230	8.9
106.55360	2.0
120.05824	4.1
121.02930	3.9
121.06667	6.1
123.08174	9.5
123.09196	1.9
125.09653	14.2
135.08162	100.0
137.09735	2.9
141.01704	18.1
146.86705	1.9
163.11357	2.1
189.12938	2.4
205.16017	4.9
207.10141	2.4
209.04568	2.4
209.11967	2.3
249.14952	48.4
287.16547	9.0
305.17606	57.4
305.21292	16.8
328.41614	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	305.2124
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
57.30194	0.2
59.01382	16.6
61.98822	0.6
71.01360	1.6
85.02952	0.3
94.48462	0.3
101.02433	0.3
113.02430	0.5
118.29449	0.3
121.02937	0.6
141.01709	2.1
143.10774	2.4
161.04518	1.2
184.67061	0.3
188.05728	0.4
203.14378	1.4
209.04564	0.3
247.13629	0.4
249.30968	0.3
305.21240	100.0
306.21588	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
50.53619	0.5
59.01384	12.3
61.98827	2.8
71.32923	0.5
74.82801	0.6
79.22234	0.6
88.58536	0.6
92.12385	0.8
97.06547	1.0
101.02426	0.6
137.27431	0.7
141.01563	0.7
161.04579	0.7
257.37747	0.8
305.24890	100.0
306.25214	2.4
315.53250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.249
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
52.91017	0.4
55.32266	0.3
57.97403	0.4
59.01112	0.7
59.01387	13.6
59.21259	0.4
60.10980	0.4
61.98817	1.4
71.01389	1.0
73.00285	0.4
92.02509	0.4
116.92859	0.9
128.07120	0.4
141.01706	1.3
141.02710	0.4
150.63815	0.4
155.18668	0.4
161.04553	1.8
188.96603	0.4
305.24896	100.0
306.25095	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	305.2492
Annotation	Decaryiol
Peak:m/z	Relative Intensity
59.01111	3.9
59.01387	100.0
61.98833	5.3
66.49736	1.7
75.63426	2.2
78.19129	2.1
81.53158	1.9
82.84526	1.8
82.95429	2.3
86.62437	1.8
92.11791	3.5
97.08467	2.3
116.92826	2.9
141.01703	25.8
161.04604	8.3
251.65472	2.2
305.24860	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	306.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02755	1.0
58.02988	16.8
59.22320	0.9
61.98818	1.1
70.02975	4.3
72.00900	4.4
74.02477	31.3
79.12128	1.0
82.02967	6.6
83.26993	1.0
84.04530	1.7
86.02479	12.6
86.06133	2.1
86.99091	1.7
87.05647	17.8
88.04016	1.3
90.00176	2.5
94.50645	1.1
97.04076	4.9
99.05639	33.3
101.01691	1.1
101.07198	2.4
102.05598	5.4
107.32048	1.1
109.04050	4.2
111.05571	1.7
111.40949	0.9
112.04038	4.5
113.03578	1.6
113.77546	1.1
115.48226	0.9
117.16436	1.0
122.71461	0.9
123.05633	2.1
124.04006	2.3
125.03526	4.0
127.05103	6.4
128.03529	67.7
128.04489	2.4
131.04611	4.3
135.05650	5.9
137.07149	1.8
140.37100	1.1
141.06685	9.1
143.04617	100.0
145.06151	4.3
146.04579	7.3
153.06693	6.0
155.08383	1.3
160.00731	21.5
166.09833	2.3
167.04617	9.8
167.08261	1.9
177.03389	8.7
179.04626	15.9
180.07845	1.3
181.06100	1.3
184.10968	1.1
185.05618	2.5
189.25894	1.0
189.28281	1.1
192.98486	1.1
197.05670	2.0
198.08942	1.6
210.08847	14.3
242.07899	2.3
253.87375	1.2
254.07808	18.3
272.08868	29.6
288.06705	7.3
306.07684	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	18.9
61.98832	2.9
62.83157	1.5
64.37357	1.3
69.14323	1.4
74.02080	1.6
74.02467	33.4
76.57219	1.4
82.02978	2.4
84.04558	1.6
86.02462	15.3
87.05628	13.8
88.05318	1.4
90.00177	2.4
97.04053	6.3
99.05624	36.0
101.07172	3.2
102.05594	2.5
107.26962	1.7
109.04047	3.2
112.04044	3.7
112.20151	1.8
114.23438	1.4
116.01765	1.7
123.05627	3.8
124.04001	1.8
125.03566	3.6
127.05147	7.3
128.03526	81.8
135.05667	2.2
141.06717	11.0
143.04613	100.0
145.06190	2.4
146.04619	8.2
153.06735	3.7
153.76091	1.6
160.00740	23.6
166.09863	2.6
167.04633	7.9
177.03398	11.2
179.04616	16.4
181.06158	2.1
197.05702	1.9
198.08702	2.0
202.06010	1.5
210.08875	16.9
217.39606	1.6
242.07838	2.2
254.07828	25.5
272.08871	39.1
288.06583	10.2
306.07690	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	2.7
59.01392	63.3
61.98836	3.4
71.01387	3.3
75.83495	1.4
86.20461	1.4
89.03967	6.5
99.05625	1.6
111.97221	1.6
113.02472	1.8
117.03458	14.7
121.02988	2.9
126.09196	5.8
128.03566	1.9
134.03731	100.0
135.04541	14.1
136.05287	12.0
137.02463	2.0
137.66670	1.6
138.23726	1.6
143.04601	3.1
149.06088	8.0
156.06618	3.3
161.02409	13.2
161.04512	12.3
162.03192	25.0
163.04008	2.4
177.05591	21.6
190.05153	3.3
192.11542	2.2
194.02319	2.6
204.11752	2.1
218.08202	2.4
219.12659	7.5
234.15022	2.9
246.11417	3.4
247.12146	2.1
251.09621	1.7
262.14484	50.2
275.13385	1.6
306.13510	56.2
306.17032	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	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
56.96911	0.5
58.00584	1.3
59.01384	55.5
71.01382	25.4
72.99317	2.4
73.02924	1.2
74.19965	0.5
76.86922	0.6
83.01385	0.7
85.02942	5.9
85.38796	0.6
89.02449	20.7
94.66346	0.6
95.01375	2.2
99.08154	32.4
101.02435	14.7
113.02456	9.5
117.76009	0.6
119.03484	7.6
127.07640	6.5
129.09225	1.5
131.03580	0.6
133.33763	0.6
138.87460	0.6
141.09195	2.7
143.03482	0.7
145.08702	75.1
187.09746	1.1
307.14011	100.0
308.14337	1.1
313.69983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01872	1.0
55.32236	0.7
58.00580	0.7
59.01384	64.8
59.36430	0.7
65.43577	0.7
71.01378	23.5
72.00760	0.7
72.39269	0.6
73.02943	1.0
83.01375	1.7
85.02938	4.7
86.25159	0.7
89.02438	20.7
95.01385	1.7
99.08149	31.1
101.02422	14.5
113.02448	7.4
117.66035	0.7
119.03448	7.0
127.07664	5.3
129.09206	1.7
141.09259	1.4
145.08705	72.1
187.09854	1.4
307.13998	100.0
308.14218	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.8
59.01387	37.7
61.98828	5.2
63.74313	3.8
65.03967	76.0
71.01385	16.5
71.05022	51.0
80.10477	3.4
84.23579	3.6
96.95998	5.0
97.06580	86.4
110.77364	3.8
119.08640	16.4
121.06599	100.0
125.09700	52.2
151.11304	6.7
163.11403	3.8
185.11830	84.9
209.11765	42.6
211.13391	38.8
235.13383	95.9
235.28729	4.4
249.14977	6.6
285.19611	3.9
289.18130	22.0
307.10913	7.1
307.16129	4.0
307.19138	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82778	1.5
55.01877	2.4
55.90683	1.4
57.03451	4.2
59.01384	19.4
61.98841	2.4
65.03967	69.2
69.03471	3.0
71.01392	3.5
71.05021	51.4
72.82153	1.6
90.22685	1.8
91.14085	1.7
93.03453	2.2
97.06585	89.7
103.04011	1.8
109.06589	2.9
115.87984	1.6
119.08659	15.3
121.06582	99.1
123.08144	4.4
125.09714	49.0
137.09697	8.4
165.12796	2.1
185.11830	93.7
191.14436	2.6
192.12477	1.8
197.11926	2.3
209.11862	34.0
211.13428	38.1
223.13402	2.1
235.13393	100.0
235.15778	4.0
245.19072	2.0
249.14966	3.0
250.92706	1.8
289.18097	38.4
291.00174	1.6
307.10983	18.1
307.19144	29.3
329.81070	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	307.2283
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
52.20740	0.2
54.82555	0.2
58.19756	0.2
59.01364	0.3
59.39933	0.2
67.05404	0.2
78.57367	0.2
85.12337	0.2
91.31048	0.2
97.51070	0.2
112.62798	0.3
162.18521	0.2
169.10211	0.3
213.14986	0.3
226.31004	0.3
307.22812	100.0
308.23203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2645
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
52.92789	0.2
59.01375	0.4
61.98838	1.0
64.34388	0.2
71.01385	0.2
105.02290	0.2
116.92858	0.3
118.30696	0.2
142.34119	0.2
155.14977	0.2
220.80800	0.3
304.78458	0.2
307.26468	100.0
308.26822	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	309.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15112	0.9
52.72473	0.9
53.02719	0.8
57.71973	0.8
59.01393	7.8
59.03382	0.9
61.98827	6.9
64.34123	0.9
71.01382	5.1
72.99311	1.5
73.02952	34.5
75.33516	0.9
81.03460	2.1
83.01402	4.4
83.05029	5.3
90.67840	0.9
93.03443	1.6
96.96003	1.3
99.04501	8.2
117.03506	1.7
119.05019	92.2
125.73317	1.0
127.04005	4.2
142.82066	1.0
145.02975	11.3
145.05055	19.1
163.04018	100.0
163.06128	65.6
164.04254	1.4
273.17068	5.6
309.10120	8.3
309.13046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1127
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
58.02982	4.2
59.01389	10.2
63.96244	4.4
64.97033	5.4
67.00913	0.4
70.02995	0.7
71.01374	2.1
71.05016	21.0
72.00923	0.7
77.36040	0.5
82.78784	0.5
83.54865	0.4
85.02966	0.9
86.06123	0.8
87.05623	5.7
89.02447	1.8
91.00495	0.4
94.75278	0.5
97.04050	0.6
98.06080	0.4
99.04507	6.5
101.02423	2.2
108.01222	0.5
108.16161	0.5
115.05111	2.3
116.07174	4.9
125.74570	0.5
129.05540	3.4
146.08235	100.0
147.06679	0.5
147.08514	0.7
154.71017	0.5
186.35570	0.5
189.08167	0.6
217.11943	20.6
243.13536	1.1
245.15030	2.3
249.09883	0.7
309.11307	70.4
310.11533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21376	0.4
55.01869	0.6
58.02970	0.7
59.01385	100.0
61.98838	5.7
71.01369	7.6
72.00902	1.2
73.02929	2.2
78.95903	1.1
82.02962	0.7
85.02937	3.2
87.00847	2.1
87.02759	4.1
88.98792	1.3
89.02433	4.5
93.03447	1.1
96.95979	1.0
99.00898	0.8
101.02421	4.1
101.07187	0.9
109.04060	2.2
111.14149	0.6
111.76653	0.6
113.02415	2.7
117.03788	2.8
119.03486	2.5
119.05025	4.3
127.05138	4.9
128.03535	23.0
135.04840	2.6
136.66144	0.5
146.08240	0.7
151.91905	0.5
153.54387	0.6
156.45778	0.6
161.04607	2.8
163.04018	4.7
164.07256	1.0
167.04654	3.2
180.06657	13.6
249.09706	1.0
291.09830	4.1
309.11877	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01873	1.2
57.03438	3.6
58.00594	1.3
59.01383	100.0
70.12846	0.7
71.01378	39.0
71.05010	1.2
72.99295	3.9
73.02928	6.1
74.72433	0.6
83.01363	3.9
83.05003	3.2
85.02938	11.1
86.92884	0.7
87.00865	1.5
89.02433	29.4
90.44453	0.6
95.01370	2.8
96.96974	0.8
98.82585	0.6
99.00840	1.4
99.04491	0.9
101.02429	24.7
101.06078	3.7
111.04527	0.9
113.02446	12.7
114.05591	1.0
117.01932	4.2
119.03480	12.6
128.03531	0.8
129.05577	16.6
130.08743	5.8
146.08215	5.9
147.06621	15.3
161.04527	5.7
179.05618	1.5
202.43851	0.7
217.11887	1.0
249.09848	4.5
267.10901	3.3
278.59796	0.7
309.11905	94.1
310.12387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22412	0.2
59.01387	100.0
61.98840	2.2
71.01389	2.1
73.02950	0.5
78.95911	1.3
83.01356	0.4
85.02967	1.2
89.76245	0.3
99.00893	0.4
101.02448	2.3
113.02470	0.6
133.07030	0.3
134.03729	2.1
147.88347	0.3
160.02295	2.3
164.01794	0.6
193.05136	1.2
227.12923	2.6
249.13414	4.5
281.04700	0.3
309.20667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1711
Annotation	8beta-acetoxy-9(12)-capnellene-2beta,5alpha,10alpha-triol
Peak:m/z	Relative Intensity
57.03450	2.3
59.01385	5.9
61.98825	2.4
69.03450	0.5
71.05002	0.5
73.02934	0.6
74.25071	0.3
79.05502	0.6
89.11604	0.4
95.05016	11.1
97.06564	0.6
97.66006	0.4
105.23146	0.5
113.09751	4.5
120.57234	0.5
121.06554	1.8
133.10246	0.7
149.09721	10.9
151.11288	3.4
165.09215	1.1
175.11708	0.4
177.09274	1.9
183.13933	0.5
185.11778	0.8
185.13348	0.6
195.10188	3.4
201.12921	0.9
203.14452	3.0
205.15979	0.7
214.55817	0.5
237.14566	0.5
247.13420	0.5
249.14970	100.0
250.15352	2.7
291.16714	0.6
291.19733	11.4
299.10870	0.4
309.10635	2.8
309.17465	1.0
309.20700	15.8
310.21176	0.4
330.30267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.171
Annotation	8beta-acetoxy-9(12)-capnellene-2beta,5alpha,10alpha-triol
Peak:m/z	Relative Intensity
57.36851	0.3
59.01384	4.7
61.98824	2.0
65.08466	0.3
66.52422	0.3
80.96504	0.4
85.02928	0.7
86.98431	0.3
95.05029	1.5
97.02942	29.9
99.41617	0.3
113.06067	2.9
125.09740	0.4
151.11285	92.1
152.11606	2.0
161.19269	0.3
185.11821	0.5
190.04268	0.3
195.10320	0.8
203.14394	4.3
205.15993	37.6
206.16269	0.7
249.14980	100.0
250.15381	3.3
251.98151	0.4
291.19745	3.7
309.10602	1.5
309.17404	0.7
309.20703	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	309.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63896	0.3
54.26352	0.3
72.15556	0.3
76.57107	0.3
79.95741	11.7
80.96491	1.6
94.98093	1.8
95.95231	3.4
96.96009	100.0
114.14642	0.3
122.97594	3.9
137.09692	4.3
138.97054	0.5
171.10281	4.5
177.01656	0.5
183.17519	0.5
309.17471	98.7
309.20706	9.4
310.17740	2.1
332.49365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
52.73377	0.7
53.92843	0.7
59.01377	3.8
61.98808	1.4
66.13441	0.7
80.02673	0.8
89.92041	0.9
96.96040	1.2
97.06574	1.3
102.81055	1.0
104.86954	0.8
123.08154	4.6
125.09745	9.1
139.11295	4.2
141.09190	1.2
145.24635	1.0
153.09218	1.4
155.14456	3.3
161.86223	0.9
165.43575	0.9
171.10326	1.4
183.13867	6.2
206.57268	0.9
209.89053	0.8
247.20714	16.7
265.21783	5.2
273.18668	1.4
281.21280	1.1
291.19687	22.7
309.20740	100.0
323.05145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82535	1.3
57.03437	2.8
59.01383	1.5
65.32686	1.1
66.56902	1.1
69.03447	1.4
71.01406	1.3
71.05019	32.7
72.70032	1.2
78.83456	1.3
80.30038	1.2
86.01281	1.4
95.05022	3.2
97.06576	12.4
121.10204	9.9
123.08131	2.3
125.09717	11.6
137.09715	35.9
141.12866	2.4
168.46562	1.4
171.10269	90.6
177.57996	1.4
180.51489	1.5
181.12363	3.0
185.11823	14.3
197.11810	1.7
207.13828	2.0
219.13992	1.8
233.15567	2.2
235.17073	2.7
237.14935	5.7
250.12424	1.5
251.16542	30.3
273.18707	2.5
291.19684	100.0
309.17310	2.5
309.20743	60.9
318.79468	1.4
328.58463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03447	9.2
59.01382	2.8
60.61895	1.8
67.01882	1.7
69.03444	8.6
75.99120	1.9
82.36144	1.9
83.05015	2.9
84.04074	2.1
85.06548	2.2
92.12424	2.3
97.02921	21.9
97.06543	2.1
99.79642	1.8
111.08158	2.9
116.80433	1.8
119.08535	2.3
122.80139	2.2
128.54124	2.0
137.09731	4.8
141.03310	1.9
151.11238	2.5
152.06291	2.5
165.12749	3.0
167.10780	2.7
171.10245	18.6
179.14406	2.5
193.12366	3.7
195.13907	12.3
197.11754	3.1
205.15945	4.2
221.15477	12.8
223.13441	3.1
227.12839	4.4
231.13945	2.7
234.11617	2.2
247.20612	4.6
249.14999	58.5
291.19669	100.0
309.17273	4.7
309.20721	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03450	2.0
59.01384	2.4
61.23691	1.5
69.03456	13.8
69.69810	1.4
71.05016	10.6
78.63156	1.6
83.05051	2.6
97.06580	4.0
108.05823	2.9
111.08157	15.6
118.54133	1.9
119.08653	11.9
125.09678	6.5
127.11259	2.1
134.38838	1.7
135.08153	3.1
137.09703	37.0
169.12334	2.8
171.10268	100.0
171.53418	1.5
181.12439	1.6
185.11816	7.6
197.11832	47.2
201.11340	3.9
211.13431	3.9
225.14986	2.5
251.16556	12.2
263.20081	2.5
279.44241	1.8
291.19659	41.2
302.12827	1.8
309.20688	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
50.04915	0.5
57.03447	1.0
57.16899	0.5
74.29795	0.6
83.05018	0.6
90.95576	0.6
92.12362	0.9
97.06586	1.2
103.20818	0.5
105.10735	0.6
123.08168	1.4
125.09714	6.5
127.11275	2.5
137.09686	1.3
139.11301	0.9
141.09198	3.0
144.67755	0.6
153.09161	1.0
153.12851	0.6
155.10741	1.0
164.55598	0.6
171.10292	5.6
199.09750	5.7
200.10577	6.7
201.11325	6.6
213.11313	1.1
242.79845	0.6
247.20552	6.3
263.20184	0.9
265.21783	2.5
273.18393	0.7
281.20966	0.8
291.19666	16.0
309.20749	100.0
310.21072	1.4
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	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
50.07762	0.6
57.03451	1.2
59.01370	4.2
59.64986	0.7
61.98822	1.4
80.25376	0.8
92.12350	0.9
96.95996	1.3
97.26808	0.8
111.08168	1.0
123.08154	1.3
125.09715	1.8
137.09621	1.1
139.11252	6.9
141.12842	1.5
167.10773	2.9
169.12328	3.7
183.10254	3.2
185.11832	1.5
193.12315	1.1
193.15956	3.7
219.17621	1.2
247.03621	0.8
247.20667	5.1
265.21762	1.6
273.18680	1.4
276.55362	0.9
281.21326	1.0
291.19659	24.8
291.22693	1.4
309.20740	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34326	0.8
51.68917	1.0
54.84687	0.8
55.72094	0.8
59.01387	1.6
59.98859	0.9
63.69413	0.9
64.92865	0.8
71.05016	16.2
73.02942	2.0
79.04934	1.0
79.40973	1.0
95.05013	1.2
97.06582	2.2
114.24836	1.1
119.08547	1.1
121.10202	4.9
122.04475	1.1
125.09686	2.0
137.09689	14.0
171.10258	36.3
171.45287	1.1
183.13928	4.9
184.09097	1.0
185.11816	9.1
195.13908	1.1
207.13974	1.4
219.13826	1.1
235.17081	1.6
237.14806	1.5
251.16461	13.5
273.18561	1.9
291.14709	1.3
291.19678	51.2
309.20721	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	309.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18979	1.0
56.42279	1.1
59.01375	6.8
60.96061	1.2
61.13212	1.1
61.98810	5.3
74.59949	1.2
74.64067	1.1
80.36153	1.2
91.92174	1.3
97.06519	1.5
97.41641	1.2
99.00864	1.3
116.92854	1.6
143.65617	1.2
144.75806	1.3
151.11282	14.3
153.12869	1.7
167.14444	1.8
179.14406	6.4
251.16188	1.4
277.21744	26.4
279.23340	5.4
291.19720	1.6
309.24368	100.0
310.24652	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68204	0.7
55.52067	0.7
57.03440	1.0
57.90195	0.7
59.01373	5.2
60.78416	0.8
61.98819	3.8
74.92397	0.8
86.34518	0.8
111.19249	0.8
113.09700	1.4
116.92825	1.2
148.63373	0.9
149.00705	0.8
179.14426	16.1
233.22699	0.9
259.20499	1.1
277.21722	72.9
286.78769	0.9
309.24368	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	309.2437
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.98329	0.6
53.72350	0.6
54.01480	0.7
59.01380	4.6
60.78675	0.7
61.98825	1.5
65.06682	0.8
76.57198	1.0
90.13934	0.8
104.04137	0.8
116.92820	1.2
125.09682	1.4
151.11279	1.3
186.35759	0.9
205.93567	0.8
227.20259	0.9
277.21719	100.0
278.22119	1.5
296.88937	0.8
309.21005	2.7
309.24350	79.2
323.08612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2801
Annotation	Delta2-cis Eicosenoic Acid
Peak:m/z	Relative Intensity
54.53502	0.4
62.18729	0.4
62.22769	0.4
81.32053	0.4
121.45834	0.4
122.97269	0.4
129.21585	0.4
197.05328	0.4
246.13902	0.5
268.52231	0.5
269.71048	0.4
309.28024	100.0
310.28384	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	310.1159
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
57.90826	0.5
59.01370	3.3
61.98810	3.4
63.13020	0.4
64.94342	0.5
75.26511	0.5
78.00967	0.5
80.89010	0.5
83.84468	0.5
92.11731	0.7
133.01552	41.1
135.03107	1.1
144.60822	0.6
151.02589	1.2
158.77530	0.5
163.04974	3.2
178.07333	100.0
220.08388	0.6
245.67830	0.5
260.80087	0.5
278.68228	0.5
310.11588	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98842	1.6
63.19012	0.3
67.37460	0.3
71.01379	1.9
72.99314	0.5
78.95911	0.5
83.01394	0.4
84.24624	0.3
84.84309	0.5
87.00871	0.5
87.02744	0.6
87.04523	1.7
88.04065	0.4
89.02460	0.5
96.96036	0.6
99.10399	0.3
103.94710	0.4
111.00909	0.9
114.05655	0.4
128.03563	0.8
131.03491	2.8
134.04715	7.0
152.08165	0.4
160.06328	0.6
180.06746	0.6
191.02016	0.9
240.81512	0.4
250.09377	4.0
267.21878	0.5
309.11975	0.5
310.12167	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	0.4
59.01384	21.5
64.51574	0.2
71.01378	16.2
72.57352	0.3
72.99283	1.1
73.02926	1.3
84.08176	0.4
85.02942	2.1
86.00675	0.3
87.04495	1.6
88.04014	0.6
88.98766	0.3
89.02430	20.0
101.02414	4.3
103.67636	0.3
113.02434	4.5
117.01899	0.6
119.03470	3.0
119.05035	0.6
119.66982	0.3
128.03499	1.3
130.05049	1.1
130.08716	100.0
131.03510	2.3
131.09058	0.3
140.03607	0.4
143.03493	0.6
146.26520	0.3
147.06665	0.3
148.04364	1.1
149.02710	0.4
149.04509	0.3
150.50650	0.3
161.04517	1.3
179.05589	4.0
180.06685	1.7
250.95547	0.3
310.12241	1.9
311.07925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
69.25973	0.2
70.95353	0.2
76.57226	0.2
79.95737	1.7
88.22440	0.3
96.96015	0.3
99.77635	0.2
103.62998	0.2
117.67670	0.3
119.05006	1.5
146.02307	0.3
153.97452	0.3
159.43761	0.2
170.00458	1.3
183.01204	57.1
184.01895	3.8
197.02731	2.7
198.03503	0.3
211.04436	0.3
216.00984	2.1
225.05896	0.5
230.02579	0.4
239.07481	1.0
247.20532	0.4
293.21271	1.1
311.16891	100.0
311.22562	2.5
312.17227	3.4
327.12576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
63.14606	0.3
67.37380	0.3
79.95741	1.9
98.95563	1.1
119.04998	1.9
170.00401	2.5
172.58696	0.3
183.01213	75.9
184.01999	2.6
197.02782	1.8
213.15059	1.2
216.00984	0.6
225.05867	0.7
239.07379	0.5
269.21219	2.2
278.90393	0.3
293.21252	1.7
311.16907	100.0
311.22067	9.1
312.17142	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	311.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08463	1.9
59.01383	33.1
59.76692	1.9
61.82912	2.1
61.98827	3.5
68.25745	2.1
69.14783	2.0
73.48475	2.0
77.18593	1.9
85.01173	4.1
99.73688	2.2
111.02731	3.0
112.79139	2.9
116.92872	2.8
141.07535	2.6
149.09668	3.6
161.04498	2.9
167.10843	3.9
171.10297	4.0
183.01207	36.7
185.13615	3.6
251.11388	2.9
251.20187	30.7
265.21790	3.4
277.21735	100.0
293.21332	12.8
311.16879	67.1
311.20602	94.3
311.26306	4.8
311.29727	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	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.83093	0.6
57.03444	1.0
59.01383	10.0
61.53203	0.5
71.01365	1.1
71.58400	0.5
73.02979	0.7
79.43000	0.6
80.00076	0.6
97.06565	0.6
101.02444	0.8
125.09681	5.3
139.11353	1.4
141.09210	3.3
141.12839	1.1
153.09218	1.5
155.14415	3.1
157.12358	0.9
169.12367	0.8
171.10260	1.4
181.15956	1.0
183.01218	15.7
184.02045	1.0
200.10547	1.2
249.22241	4.1
251.11418	1.2
265.21765	3.0
267.23267	1.5
275.20081	1.2
293.21332	10.7
301.35855	0.7
311.16965	27.9
311.22305	100.0
328.59625	0.7
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	Unknow
Peak:m/z	Relative Intensity
51.19698	0.4
55.01876	0.4
57.03452	8.7
58.00586	0.8
59.01387	1.0
59.05016	0.6
85.02962	3.7
86.12637	0.5
87.04509	19.9
88.18666	0.5
91.05037	0.5
176.19667	0.5
193.60397	0.5
205.16153	0.7
223.17046	57.7
235.17055	4.3
275.20096	4.2
293.21347	7.7
311.22305	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82544	0.5
57.03457	9.4
58.00591	1.2
59.01377	2.4
60.43636	0.4
71.04999	0.4
75.36742	0.6
85.02972	3.8
87.04519	20.2
89.08545	0.5
118.47661	0.5
223.17061	53.8
235.16992	4.5
275.20218	4.9
285.74536	0.5
293.21262	6.1
311.22318	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79061	0.8
53.53354	1.0
57.03197	0.9
57.03455	23.2
59.01386	13.4
62.68618	1.0
64.34632	1.2
71.01376	1.1
75.42947	0.9
76.57787	1.0
83.05003	0.9
97.06583	2.1
109.06551	1.2
113.09723	53.8
133.36331	1.0
135.62621	0.8
139.11276	5.9
155.10802	1.5
159.29660	1.0
167.10808	8.3
171.10324	2.0
177.12865	1.7
179.10759	8.7
179.14406	1.2
183.01176	19.7
195.13866	10.6
195.17575	1.2
205.12352	1.1
215.54903	1.1
223.13364	12.4
248.96855	1.0
249.22191	6.7
249.87376	0.9
251.11270	1.3
286.84860	1.1
293.21246	100.0
311.16891	26.6
311.22198	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97411	0.3
51.17660	0.4
52.15804	0.4
53.68361	0.3
57.03455	1.8
65.82129	0.4
66.61548	0.4
71.31612	0.4
82.00706	0.4
97.06586	2.5
113.09715	2.8
123.08142	0.5
124.10183	0.4
125.09731	4.4
139.11301	6.1
141.12874	1.0
149.09712	0.6
156.34444	0.4
167.14438	1.0
171.10265	5.8
171.54070	0.4
185.11835	7.8
197.11900	2.3
207.41986	0.5
211.13423	37.7
223.13396	2.1
249.22176	0.5
274.40799	0.4
282.04456	0.5
293.21259	100.0
294.21545	0.9
311.22189	3.7
325.86688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32728	0.5
56.32745	0.6
57.03453	1.4
59.01396	0.7
69.03456	0.8
83.05032	1.0
97.02937	4.1
97.06551	1.5
99.08159	2.8
113.09728	3.4
121.10232	1.6
125.09673	1.6
127.11224	1.0
139.11261	6.7
144.24948	0.8
163.11157	0.9
165.12903	0.9
167.10762	0.8
171.10246	24.8
171.92445	0.7
185.11838	2.7
193.12360	12.6
211.13397	6.4
249.22202	1.1
293.21268	20.9
311.22293	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02661	0.6
57.03449	0.9
64.49236	0.6
72.65263	0.6
86.82727	0.6
97.02914	0.8
97.06594	1.0
113.09733	6.0
121.10220	3.3
125.09725	2.9
127.11280	1.0
137.12741	0.6
139.11295	17.8
155.10757	2.7
163.11317	0.8
167.10782	1.1
171.10265	27.5
185.11842	1.1
193.12357	1.0
195.13901	1.0
197.11914	0.8
201.11353	1.0
211.13409	2.8
225.15042	0.8
242.38774	0.9
249.22253	1.3
268.07315	0.8
275.20233	1.0
293.21262	38.5
311.22314	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23846	0.9
57.03453	1.5
58.00594	1.1
75.67126	1.0
79.54195	1.0
87.48625	1.1
123.08194	1.3
125.09709	2.2
127.11284	6.5
129.09274	1.6
139.11299	13.2
155.10834	1.2
169.54849	1.1
171.10274	78.4
183.10332	1.6
185.11810	5.9
197.11833	2.1
199.13379	1.4
201.11345	18.2
211.13367	6.5
275.20230	6.2
293.21320	17.6
311.22302	100.0
311.84277	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01384	1.1
60.69437	0.4
63.29968	0.4
67.55127	0.4
97.07561	0.4
99.08114	0.8
113.09717	1.8
115.07597	0.8
125.09720	0.5
127.07647	0.7
128.08475	0.6
129.09151	0.7
167.14413	3.6
169.12422	0.5
171.10297	0.7
181.12419	0.6
183.01215	7.5
183.13905	4.0
195.13895	9.8
197.02809	5.1
197.11824	1.6
211.13440	4.6
213.14963	2.1
219.21770	0.5
222.34923	0.4
242.15143	0.6
249.22263	0.6
265.21817	0.7
267.23349	0.6
275.20065	0.6
293.21228	11.0
311.17020	17.9
311.22308	100.0
312.17227	0.5
312.22601	0.7
333.83237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57105	0.9
73.17108	0.8
116.73058	1.0
125.09699	3.9
139.11281	1.7
141.09210	1.9
153.09256	1.1
155.14426	1.8
171.10316	2.0
183.01205	24.3
200.10579	2.3
233.38589	1.1
249.22226	3.7
293.21204	9.5
311.16858	49.5
311.22290	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01393	0.5
63.23821	0.5
79.95756	0.5
84.86043	0.6
86.14185	0.5
96.95994	0.8
97.06631	0.5
98.95556	1.2
112.24624	0.5
125.09740	5.1
133.20155	0.5
137.50192	0.6
139.11285	1.2
141.09206	1.4
141.12965	1.9
153.09192	2.1
155.14409	2.6
157.12352	1.1
169.08655	0.6
171.10286	3.1
180.60934	0.6
183.01216	18.7
184.01961	2.7
188.25391	0.6
200.10667	3.8
216.01001	1.1
230.58289	0.6
239.23880	0.6
249.22072	3.9
265.21783	2.9
267.23340	1.0
269.17731	0.6
275.20087	0.9
283.68552	0.6
293.21317	9.1
311.16861	31.6
311.22305	100.0
312.17426	0.8
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	Unknow
Peak:m/z	Relative Intensity
52.69587	0.4
55.40193	0.4
56.93024	0.4
59.01431	1.1
60.49084	0.5
70.65311	0.4
71.08862	0.4
71.14330	0.5
120.19299	0.6
130.43654	0.5
133.07635	0.4
146.59781	0.6
183.01195	7.7
183.02454	0.4
184.02011	0.5
221.14655	0.5
249.22307	1.2
267.23315	100.0
268.23639	2.0
293.21320	4.0
311.16974	10.1
311.22275	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01380	4.2
61.98799	0.8
66.95858	0.4
104.48265	0.5
138.69734	0.5
139.11267	7.9
183.01201	9.5
197.02655	0.7
203.34851	0.6
216.46875	0.5
249.22249	14.2
261.63605	0.6
265.21729	1.3
267.23315	35.9
293.17987	1.0
293.21234	27.0
311.17047	14.5
311.22302	100.0
312.22733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
69.38941	0.8
71.11317	0.7
74.20140	0.8
76.57034	0.8
86.43639	0.9
99.08122	3.8
113.09718	3.1
125.09658	1.5
129.09192	4.2
137.09843	1.1
139.11266	4.1
155.10887	1.1
169.12343	1.3
171.10291	18.5
181.12352	4.9
183.13893	1.9
185.11784	3.9
193.12370	2.0
197.11815	9.5
199.13416	3.3
205.59698	0.8
211.13406	19.6
217.74820	0.9
225.00476	1.0
249.22153	1.1
265.37000	1.0
275.20157	1.2
293.21255	19.1
311.22296	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	311.2232
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.06995	0.3
57.03437	0.7
59.01381	2.3
81.28912	0.3
84.32869	0.3
97.06589	0.8
123.08151	1.7
125.06020	0.4
125.09705	5.9
139.11295	2.0
141.09189	3.7
141.12842	1.8
143.10786	0.5
149.09674	0.4
153.09216	2.3
155.14465	3.3
157.12312	1.9
169.08717	0.4
169.12277	0.4
171.10291	2.1
181.15977	0.6
183.01213	1.8
183.13855	0.6
200.10579	0.7
239.23775	0.5
249.22227	4.2
265.21732	1.5
267.23288	1.9
275.20163	1.4
283.22989	0.7
293.21277	8.0
311.16611	3.0
311.22311	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	311.2233
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.08681	0.5
54.82455	0.7
56.76125	0.5
57.03450	0.9
59.01389	10.7
71.01366	0.6
74.59028	0.6
76.44545	0.5
98.44906	0.6
117.20650	0.6
125.09730	1.3
137.09724	0.5
139.11276	4.9
141.12885	3.0
143.10762	1.1
149.09712	11.9
155.10803	3.9
167.10776	8.4
171.10237	1.2
183.01181	13.1
183.10277	1.0
184.01888	1.2
185.11804	2.2
197.02876	0.6
249.22270	0.6
251.11449	1.1
267.23248	1.1
292.28552	0.6
293.21289	10.2
295.50073	0.6
311.17078	18.8
311.22366	100.0
312.22714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11601	0.4
56.53408	0.3
59.01383	1.5
70.14955	0.4
73.30517	0.4
80.77602	0.3
92.65990	0.3
107.05090	0.4
108.80525	0.3
119.05035	0.4
133.02966	0.8
133.05348	3.2
134.03732	6.0
134.53690	0.4
135.04523	28.7
136.04018	1.5
136.04947	0.4
136.07692	0.6
137.02504	0.8
147.04539	7.3
148.05321	100.0
149.06013	1.7
150.03267	0.8
161.02443	0.7
162.03210	0.7
162.05695	0.6
175.02699	0.4
176.03542	6.5
177.04337	2.2
178.05107	48.6
179.05513	0.6
190.05118	26.5
241.65706	0.4
248.40067	0.4
253.08720	2.6
296.09506	0.6
297.10089	14.7
312.12466	88.4
313.12692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19577	0.2
78.51034	0.2
90.75290	0.2
91.79454	0.2
93.03485	0.2
102.04150	0.2
105.03458	0.2
107.05031	0.4
109.02931	0.2
109.91787	0.1
119.05053	1.3
124.01672	0.4
132.05840	0.3
133.02942	1.3
133.05307	2.2
134.03725	4.6
134.06093	0.2
135.04518	24.6
136.04012	1.7
136.07645	0.4
137.02457	0.9
147.03346	0.3
147.04524	9.6
148.05309	100.0
149.06071	1.4
150.01987	0.3
150.03230	0.7
155.14282	0.2
160.04021	0.8
161.02444	1.8
162.03207	0.7
162.05592	1.2
163.03996	0.3
175.02768	0.2
176.03516	6.0
177.04329	1.8
178.05096	39.9
179.05489	0.2
187.68721	0.2
190.05104	27.1
191.05884	0.8
192.06645	0.3
194.02261	0.2
206.04572	0.2
239.07133	0.2
253.08662	2.2
270.11288	0.3
296.09418	0.4
297.10086	14.4
312.12454	73.8
313.12860	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	313.0722
Annotation	Sylpin
Peak:m/z	Relative Intensity
53.52990	0.2
53.79904	0.2
59.01373	0.5
77.03970	0.2
83.95691	0.2
91.01890	0.2
92.12436	0.4
106.05767	0.2
116.72301	0.2
121.02948	100.0
122.03300	0.5
162.23012	0.2
180.05829	0.9
181.06575	5.1
209.26930	0.3
217.06499	0.2
225.05589	6.5
313.02292	2.2
313.07217	14.6
313.23663	0.5
334.08795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0931
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
53.98376	0.9
54.13436	0.8
54.97802	0.9
55.01876	5.2
57.03442	4.7
59.01149	1.0
59.01389	15.4
61.98832	1.3
62.30023	0.8
71.01378	36.6
72.99303	1.4
73.02942	11.6
78.95902	1.4
83.01374	4.5
85.02931	20.8
89.02428	0.9
93.03450	1.4
95.01375	3.8
99.00850	1.7
101.02438	17.2
106.04260	7.6
107.05025	100.0
108.02168	1.9
113.02451	11.0
119.04910	1.0
120.29491	1.0
121.02953	1.5
138.03195	1.6
143.03545	1.2
150.40831	1.0
151.04016	45.0
159.02985	1.8
161.04579	12.0
172.49013	1.1
252.89737	1.0
253.09315	1.4
303.83725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0933
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
55.01880	5.8
57.03449	1.7
59.01381	10.6
65.47095	0.8
71.01379	35.8
73.02949	13.5
83.01391	4.6
85.02940	22.0
87.00841	1.4
89.02448	1.7
93.03416	1.4
95.01363	3.7
99.00880	4.2
101.02432	16.2
106.04255	11.5
107.05028	100.0
108.02188	2.0
113.02441	14.0
119.11522	0.8
121.02931	1.0
143.03590	1.2
149.06122	1.1
151.04012	46.0
159.03035	1.4
161.04556	11.2
277.00671	1.7
313.12799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
55.52269	0.7
56.50766	0.8
59.01385	100.0
61.32004	0.8
76.60584	0.8
79.23045	0.9
79.23506	1.1
91.02186	4.4
93.00163	1.3
153.96582	0.9
185.00778	1.2
185.11804	1.5
201.11305	0.9
225.22331	1.4
230.17317	1.0
252.95387	1.0
253.21767	6.2
271.22784	56.6
313.16803	2.0
313.23859	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81230	0.4
54.88052	0.4
58.00601	5.6
58.53557	0.4
59.01365	2.1
64.08688	0.4
72.59034	0.5
97.06549	1.9
99.08147	29.9
101.09698	0.5
108.05329	0.4
113.09716	0.6
127.07639	3.7
129.09203	28.7
135.83057	0.5
183.13890	45.2
195.13866	5.3
212.13687	0.9
221.81209	0.4
236.85321	0.4
256.84760	0.5
277.21765	4.7
288.91486	0.5
293.21320	0.5
294.21732	0.7
295.22778	12.6
313.23871	100.0
314.24216	0.9
316.02533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95554	0.8
57.80182	0.8
58.00576	2.2
59.43619	0.8
75.35888	1.1
77.74845	0.9
92.11751	0.9
95.00931	0.8
99.08142	23.8
127.07608	3.7
129.09200	21.7
183.13876	37.5
183.15416	1.6
195.13924	4.2
223.68764	0.9
253.56541	1.0
277.21729	3.8
295.22812	7.8
308.63376	1.0
313.23859	100.0
314.24210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49622	0.6
59.01360	0.8
61.61912	0.6
79.69164	0.6
84.50443	0.6
94.53058	0.6
97.06519	0.9
98.10403	0.6
99.08149	1.8
105.99891	0.7
125.09689	3.1
127.11288	6.9
131.03992	0.8
141.12860	1.0
155.10768	1.4
160.32465	0.7
165.09219	1.3
171.10228	5.4
200.84183	0.7
201.11330	25.6
277.21771	3.6
293.21292	1.3
295.22742	6.4
313.23865	100.0
313.84525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09599	0.6
57.03435	3.3
59.01384	5.7
74.98661	1.2
74.99068	23.8
89.53448	0.6
89.94819	0.7
91.02200	100.0
92.02130	1.1
93.00124	36.5
102.50002	0.7
127.11281	4.2
139.11249	1.1
141.12828	5.3
149.00932	1.0
155.10812	3.1
157.12315	1.4
162.89836	0.6
167.10770	1.0
171.10271	16.5
184.01611	1.1
185.00664	7.5
185.11804	10.9
196.59941	0.7
199.13483	7.3
201.11368	1.2
233.43063	0.7
277.21765	4.7
295.22784	15.1
296.05566	0.7
297.04486	0.9
313.16843	14.0
313.23877	73.1
315.05536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80227	0.6
59.01390	6.3
61.98827	1.5
73.31977	0.6
76.09419	0.5
97.06581	0.7
99.08145	5.3
101.33308	0.6
121.02948	0.8
171.10243	7.5
185.11839	3.0
195.13908	22.0
213.15021	6.8
243.16071	3.7
277.21732	4.1
295.22769	6.5
313.23889	100.0
314.24164	2.8
314.28006	0.7
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
53.28380	0.6
59.01393	7.2
59.25235	0.7
61.98829	1.2
63.62134	0.6
74.44577	0.7
77.65778	0.7
111.08138	0.9
132.90187	0.7
169.12341	8.6
183.13876	0.7
207.09627	0.7
253.09454	0.9
277.21805	0.9
295.22784	16.2
313.14725	1.8
313.23874	100.0
314.24332	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
56.37234	0.8
59.01376	7.8
61.98833	1.9
71.24084	0.9
76.16022	0.8
79.50876	1.0
89.02452	1.1
125.09647	1.3
155.10768	7.8
169.12354	1.4
171.10251	5.5
183.13855	1.3
277.21732	1.5
295.22845	17.0
313.20459	4.8
313.23874	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	313.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60847	0.4
56.21284	0.4
57.03462	0.5
57.67104	0.4
59.01391	4.0
66.38026	0.5
78.89946	0.4
87.65265	0.4
87.78957	0.5
97.41602	0.4
125.09705	0.9
127.11267	0.8
139.11296	0.6
155.10764	3.8
156.96713	0.4
171.10262	4.9
202.11804	0.9
221.75880	0.4
253.09323	0.7
295.22797	10.8
311.22418	0.9
312.22568	2.7
313.23874	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	313.275
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
51.99733	1.0
56.82907	1.0
57.30743	1.0
61.48805	1.0
64.34739	1.1
75.00849	1.5
75.50775	1.1
91.02210	2.2
92.11752	2.5
100.37401	1.3
100.75130	1.0
116.92777	1.1
127.24483	1.1
140.40367	1.3
182.04797	1.1
185.00830	1.5
223.62802	1.1
257.38528	1.6
265.25391	4.6
267.26917	70.4
268.27518	1.4
313.16782	6.3
313.27518	100.0
328.90298	1.4
335.60193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35975	0.1
53.40898	0.1
59.01385	2.7
60.01719	0.2
61.01819	0.2
61.98834	100.0
62.41201	0.1
71.01385	0.3
78.05454	0.2
89.02437	0.2
96.96008	0.2
101.66724	0.2
109.02921	0.3
133.05118	0.2
137.44847	0.2
238.71701	0.2
315.07474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
58.00604	6.5
58.00836	0.7
59.01385	10.9
61.98829	0.7
62.32646	0.5
63.26796	0.6
74.06427	0.6
75.00854	1.1
76.17673	0.6
76.57060	0.7
97.06627	0.9
99.08150	23.9
100.08489	9.2
101.09758	0.9
105.14639	0.6
127.07656	4.6
129.09219	20.5
130.09534	10.5
143.68002	0.7
144.34709	0.6
145.08731	0.7
163.10619	0.6
174.99261	3.6
183.13914	28.0
184.14244	26.4
195.13988	3.4
196.14253	4.3
204.27579	0.6
213.33191	0.6
217.00288	4.5
232.99744	0.7
244.78383	0.6
255.23347	1.1
271.20627	5.6
277.21735	0.8
278.22055	6.5
294.21591	0.7
295.22659	3.4
296.23193	11.5
306.60074	0.6
313.23874	20.4
314.24228	100.0
315.19699	13.4
315.25354	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	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
54.82532	0.3
59.01389	4.6
65.03967	7.6
67.01893	2.8
71.01383	2.7
75.00848	0.4
78.95898	0.4
81.30213	0.3
82.24842	0.3
83.48425	0.3
85.02961	0.4
96.96008	1.7
101.02442	0.5
103.92020	0.4
109.02942	100.0
110.03232	0.5
113.02421	0.5
122.89395	0.4
135.00864	5.0
150.86998	0.3
153.01935	46.0
161.04550	0.5
174.99271	0.6
217.00348	1.4
219.84561	6.6
243.88165	0.4
254.85681	1.5
255.23317	6.6
261.88980	0.5
279.85654	2.2
315.07239	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	315.1967
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
50.04871	0.1
51.24459	0.2
58.68099	0.2
59.01380	0.2
60.99300	0.9
63.08175	0.2
86.76848	0.2
125.16990	0.2
136.13712	0.2
167.36018	0.3
227.14375	0.2
253.19650	0.3
255.23383	0.8
267.17450	0.2
269.19101	2.4
269.53799	0.2
271.20651	5.1
289.21750	11.3
290.22229	0.3
315.19684	100.0
316.19952	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28795	5.4
55.93277	6.0
55.93820	5.9
59.01385	17.1
70.04471	6.0
72.06254	6.5
75.62614	5.8
116.92865	36.7
117.99021	6.7
207.74927	7.2
255.23337	100.0
279.23206	14.1
300.25491	7.1
310.51917	8.9
315.19424	11.0
328.85083	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	315.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28795	5.4
55.93277	6.0
55.93820	5.9
59.01385	17.1
70.04471	6.0
72.06254	6.5
75.62614	5.8
116.92865	36.7
117.99021	6.7
207.74927	7.2
255.23337	100.0
279.23206	14.1
300.25491	7.1
310.51917	8.9
315.19424	11.0
328.85083	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	315.2542
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
58.00587	1.2
59.01367	0.4
61.12938	0.2
65.23800	0.2
68.82964	0.2
87.94427	0.2
101.15495	0.2
124.65410	0.2
125.09709	1.3
127.11272	5.1
141.12860	6.2
143.10782	1.4
155.10770	1.3
157.12340	0.8
169.12349	0.4
171.10263	3.4
171.13823	1.6
201.11288	1.5
218.10857	0.2
235.37715	0.2
239.23827	0.4
255.23259	1.3
279.23322	2.0
297.24365	10.6
298.24710	0.3
311.22324	0.3
313.23901	5.1
315.25424	100.0
316.25748	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	315.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89053	0.2
58.00597	0.5
58.61533	0.3
67.37192	0.3
87.70546	0.3
102.46422	0.3
108.66681	0.3
113.09708	1.9
127.11273	1.8
141.12868	3.5
143.10770	1.5
153.12944	0.3
155.10785	1.3
155.14383	1.4
170.68513	0.3
171.10249	2.8
171.13914	1.3
199.13435	1.4
201.11328	1.6
229.14551	0.4
251.23758	0.4
255.23260	0.6
279.23291	3.3
289.21826	0.5
295.22757	1.2
297.24347	9.3
298.24591	0.5
311.22385	0.4
313.23904	8.6
314.24091	0.4
315.20117	8.4
315.25409	100.0
316.20081	0.4
316.25717	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2539
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
53.43711	0.5
57.03449	1.1
59.01159	0.6
59.01387	11.6
61.79605	0.4
61.98818	1.0
66.02934	0.6
75.00864	1.2
78.95890	1.0
83.05008	0.9
99.08175	1.3
127.11320	1.2
130.09584	0.6
137.09784	0.7
141.12897	0.7
153.13966	0.6
174.99261	2.3
177.21027	0.6
181.54091	0.6
183.13808	0.6
185.11803	2.8
197.15422	1.2
217.00308	6.4
218.00763	0.7
219.84662	0.8
241.33722	0.6
255.17615	1.2
255.23302	14.5
271.20694	6.1
279.23096	0.7
297.24466	4.9
313.24011	5.2
314.24323	1.1
315.19940	20.6
315.25381	100.0
316.20010	2.4
316.25720	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	316.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90998	0.2
59.01380	2.1
61.98834	100.0
63.99250	0.3
79.01907	0.2
81.88515	0.2
87.25225	0.2
87.25779	0.3
89.02438	0.6
91.03976	0.9
91.04990	0.3
105.09448	0.3
105.45547	0.3
133.02939	8.0
134.03745	1.5
135.04517	21.0
137.02487	0.5
143.82761	0.3
161.02438	36.4
163.04059	0.3
178.02797	0.4
179.03488	6.5
253.07181	51.9
254.07669	0.5
255.23360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43220	0.3
52.94637	0.3
59.01383	2.9
61.25783	0.3
61.98843	100.0
62.28627	0.3
70.70541	0.3
73.17152	0.3
78.95905	0.5
89.02450	0.5
133.02956	12.6
134.03709	2.9
135.04526	10.4
137.02512	2.3
139.04076	0.5
144.04593	0.6
147.26488	0.3
160.04105	0.8
161.02451	56.7
162.05640	2.7
178.02837	1.4
179.03522	4.3
188.03598	3.1
206.04686	0.7
242.07912	0.4
253.07199	56.7
254.07591	0.6
255.23288	3.2
256.23804	0.7
279.96875	0.4
280.08344	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	316.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89523	0.2
59.01385	2.1
61.98841	0.5
64.91134	0.2
65.84824	0.2
67.91068	0.2
71.01379	0.5
71.05024	0.4
78.95906	9.9
79.49499	0.2
79.95733	1.6
88.04032	4.9
96.96007	100.0
96.96926	17.3
97.93133	0.4
109.02985	0.4
114.04366	0.2
114.93414	1.2
116.92922	0.3
146.08228	2.7
168.04288	0.3
218.10358	6.5
219.84602	1.2
237.44919	0.3
242.08058	0.4
255.23340	2.6
256.23657	0.9
261.89160	0.4
279.85785	1.2
316.03561	0.4
316.07184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24554	0.2
55.74340	0.2
59.01382	3.5
61.60821	0.2
61.98811	0.4
62.44415	0.2
63.92633	0.2
64.91775	0.2
71.01371	0.9
71.05009	0.6
78.95901	10.7
79.95731	1.7
88.04031	6.1
89.02435	0.3
96.96001	100.0
96.96920	18.7
99.04552	0.3
109.02934	0.3
114.93393	1.0
146.08183	3.0
154.02327	0.3
163.45183	0.3
168.04301	0.6
174.99228	0.3
214.00255	0.5
216.34479	0.3
218.10342	7.7
218.12366	0.4
219.84517	2.8
242.07991	1.7
255.23207	2.6
256.23608	1.0
261.88947	0.4
279.85757	1.6
280.11163	0.4
316.03531	0.6
316.07431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.9
57.46017	0.7
59.01380	7.7
61.76939	0.7
63.02390	4.5
64.33779	0.7
65.00320	8.7
68.99786	0.8
74.68424	0.8
81.03442	1.1
83.01379	10.9
83.05013	4.1
93.03438	1.3
94.16830	0.7
95.01377	8.2
107.01379	6.1
108.04479	0.9
109.02937	1.0
109.06611	0.8
111.00864	3.3
119.05003	1.3
122.03728	1.5
123.00851	4.4
123.04597	0.9
124.01650	20.0
125.02431	100.0
125.09690	4.4
139.00357	1.8
146.03754	1.8
148.01637	1.2
149.02455	6.2
150.03212	1.9
151.00340	12.8
152.01149	30.9
153.01903	3.2
154.98021	0.8
163.11346	0.9
164.04787	1.0
165.01854	1.0
169.01439	1.0
178.99876	12.1
187.04034	1.0
188.04832	3.4
189.05673	0.8
189.09241	1.6
192.04263	11.1
197.23358	0.9
199.13448	0.9
201.12900	1.8
207.06650	8.4
213.05736	0.8
214.06354	3.0
216.04295	3.3
219.13968	1.8
225.11557	0.9
230.05818	4.0
231.06619	8.9
243.06595	0.8
245.08099	1.1
257.04202	1.0
258.05356	4.3
263.12823	5.0
273.07623	10.0
274.04834	6.3
281.13928	10.8
282.11292	4.5
289.07181	52.7
299.05612	1.8
317.06674	56.2
317.16162	0.9
317.19492	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	317.0666
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
57.03450	14.9
57.46017	0.7
59.01380	7.7
61.76939	0.7
63.02390	4.5
64.33779	0.7
65.00320	8.7
68.99786	0.8
74.68424	0.8
81.03442	1.1
83.01379	10.9
83.05013	4.1
93.03438	1.3
94.16830	0.7
95.01377	8.2
107.01379	6.1
108.04479	0.9
109.02937	1.0
109.06611	0.8
111.00864	3.3
119.05003	1.3
122.03728	1.5
123.00851	4.4
123.04597	0.9
124.01650	20.0
125.02431	100.0
125.09690	4.4
139.00357	1.8
146.03754	1.8
148.01637	1.2
149.02455	6.2
150.03212	1.9
151.00340	12.8
152.01149	30.9
153.01903	3.2
154.98021	0.8
163.11346	0.9
164.04787	1.0
165.01854	1.0
169.01439	1.0
178.99876	12.1
187.04034	1.0
188.04832	3.4
189.05673	0.8
189.09241	1.6
192.04263	11.1
197.23358	0.9
199.13448	0.9
201.12900	1.8
207.06650	8.4
213.05736	0.8
214.06354	3.0
216.04295	3.3
219.13968	1.8
225.11557	0.9
230.05818	4.0
231.06619	8.9
243.06595	0.8
245.08099	1.1
257.04202	1.0
258.05356	4.3
263.12823	5.0
273.07623	10.0
274.04834	6.3
281.13928	10.8
282.11292	4.5
289.07181	52.7
299.05612	1.8
317.06674	56.2
317.16162	0.9
317.19492	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	317.1969
Annotation	oscr#16
Peak:m/z	Relative Intensity
51.38362	0.9
58.00599	2.0
59.01387	100.0
61.97565	0.9
71.01384	1.0
73.02949	18.7
78.13691	1.1
83.05015	2.3
89.89230	1.0
92.11693	2.0
94.27150	1.1
95.05018	4.9
95.81017	1.0
97.06555	2.6
99.04530	1.4
99.08154	1.9
101.06065	1.7
113.06092	1.6
124.71875	1.0
124.95211	1.1
125.02399	2.6
125.09718	1.9
127.07670	2.3
127.11276	7.1
131.07124	21.1
139.10280	2.2
139.11287	37.6
139.12367	1.2
155.10768	7.2
158.92284	1.0
175.60823	1.1
191.32326	1.1
239.16707	1.3
255.19620	2.4
257.17545	9.2
299.18744	5.9
317.19724	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2121
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
56.94605	0.2
59.01387	0.3
59.45395	0.2
71.26917	0.2
78.44014	0.3
84.76498	0.3
92.11710	1.2
123.81125	0.3
213.59282	0.3
235.87067	0.3
267.58813	0.3
306.31192	0.3
317.21225	100.0
318.21637	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	317.2124
Annotation	CAY10410
Peak:m/z	Relative Intensity
50.67638	0.1
51.48943	0.1
59.01373	0.5
60.99303	0.8
61.08620	0.1
68.25661	0.1
77.11907	0.1
85.95237	0.1
100.53924	0.1
103.80386	0.2
136.67336	0.1
154.49506	0.2
161.25003	0.1
273.22247	10.7
274.22855	0.1
291.23312	10.1
292.23816	0.2
309.92734	0.1
317.21231	100.0
318.21606	2.6
335.21973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10477	0.7
53.89009	0.7
59.01380	1.8
60.81976	0.8
61.98820	4.5
70.55140	0.9
78.95889	2.0
96.96019	12.7
96.96961	2.1
98.95585	15.5
98.96336	1.7
99.92584	26.3
100.93341	3.8
115.92080	34.9
116.92862	100.0
117.92831	1.9
120.99661	1.4
125.92888	2.1
127.05126	1.1
145.06194	1.3
170.94023	1.4
198.95782	1.2
212.00200	1.8
221.84276	5.3
238.01822	1.7
251.99704	8.5
252.07626	1.1
281.85272	1.1
282.00748	5.2
318.02878	47.0
318.11093	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82725	3.2
56.49395	2.7
59.01396	35.0
70.02980	3.5
71.01376	5.7
72.00904	6.0
73.02954	3.6
80.91718	2.7
89.02429	3.6
93.03456	79.6
109.01678	14.0
110.02492	13.4
113.06068	4.2
116.05032	19.7
117.03477	6.1
119.05029	33.7
124.47466	3.0
130.08699	3.4
137.02437	100.0
145.02946	31.3
145.35985	3.0
150.55144	3.4
157.08661	3.5
160.03995	4.8
163.04016	18.3
169.64326	3.2
199.09793	4.9
203.08311	18.7
237.07669	22.9
283.07300	16.1
301.08313	14.3
319.14117	3.8
319.21179	4.2
334.96146	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.1
62.75007	0.6
71.01427	0.6
84.39011	0.6
96.59286	0.6
116.05095	1.6
118.03005	3.2
120.04534	2.8
128.10793	1.2
130.08728	100.0
131.09076	0.7
132.04552	3.1
134.06102	1.0
144.04547	35.2
146.02513	6.9
146.06146	3.4
147.03256	2.9
148.04070	4.1
154.33948	0.7
156.06642	1.2
160.04036	38.3
162.05605	67.8
163.05910	1.0
172.09781	19.0
178.05135	1.6
178.13350	0.7
188.03535	48.3
205.06129	2.6
239.11690	0.8
241.07396	0.7
257.12976	13.5
275.14059	4.7
301.11957	13.1
319.13028	56.6
319.21259	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	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
52.77258	0.2
54.19213	0.2
58.02968	0.2
59.01382	0.9
61.24737	0.2
62.49276	0.2
68.92279	0.2
76.00490	0.2
80.79520	0.2
140.49814	0.2
177.13501	0.2
211.94063	0.2
274.74008	0.2
288.16068	0.4
304.15234	1.4
319.22821	100.0
320.23093	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	319.2281
Annotation	19S-HETE
Peak:m/z	Relative Intensity
53.15084	0.2
54.82475	0.2
55.84702	0.2
59.01372	1.3
61.98820	0.2
80.36233	0.2
152.44118	0.2
194.98245	0.3
266.98016	0.3
319.19449	5.0
319.22797	100.0
320.23117	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	320.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59219	0.2
59.01389	2.0
61.60043	0.3
61.98840	100.0
68.43468	0.3
72.76630	0.3
78.95927	1.6
81.35811	0.3
87.04531	1.7
87.50819	0.3
88.04037	0.8
96.96007	16.2
96.96996	1.7
113.81406	0.3
114.05585	0.5
116.92918	0.5
118.92664	0.4
119.05051	1.4
128.03580	0.4
131.03531	2.0
134.06113	0.3
150.05666	0.5
160.04036	3.0
162.01991	1.8
203.66199	0.4
222.04037	2.6
275.96716	0.4
319.95367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38005	0.9
50.69939	0.9
53.80287	0.8
58.00568	0.8
59.01390	86.1
59.28112	1.1
61.98838	100.0
71.01392	43.0
71.46547	0.9
72.99313	4.8
78.95901	1.1
81.09234	1.0
85.02949	10.5
87.00893	1.3
88.04046	1.5
89.02448	53.0
95.01385	2.4
96.96003	20.4
96.96947	1.0
101.02444	16.8
113.02448	17.0
114.05607	23.0
119.03491	15.7
125.03561	1.2
128.03549	2.2
131.03471	1.3
143.03513	2.3
156.06636	1.5
160.04089	3.9
161.04547	3.7
162.01971	1.2
179.05629	8.8
234.09790	2.4
293.59378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56377	0.3
57.15710	0.3
59.01360	1.4
66.44347	0.4
71.01380	0.4
71.56583	0.3
81.44578	0.3
91.93259	0.3
92.69878	0.4
94.93008	0.4
97.87051	0.4
123.10120	0.4
144.76186	0.4
155.37193	0.4
277.21732	100.0
278.22012	1.8
335.28384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10674	0.5
54.31810	0.5
59.01386	100.0
61.98819	3.0
99.58483	0.5
130.08717	5.4
141.01649	0.7
320.18881	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83155	0.4
58.02978	1.9
59.01378	4.9
61.98823	2.1
71.01382	8.6
72.00907	10.1
72.04550	2.5
72.99306	1.1
73.02952	0.5
82.79368	0.4
85.02955	0.5
86.02512	0.4
88.04035	50.7
96.95992	0.6
98.02464	3.0
100.04021	2.4
114.01954	5.2
115.00369	16.1
116.05033	5.0
119.05022	2.4
126.01990	1.1
130.05096	0.6
132.03021	100.0
133.03307	0.5
136.38336	0.5
139.64316	0.5
144.03030	6.3
144.04552	13.0
146.06114	7.3
160.04036	7.1
162.05603	3.0
163.04047	0.7
168.96809	0.6
172.04053	2.0
174.04065	2.7
175.03876	0.7
187.05128	4.3
188.02037	8.7
188.03542	1.6
215.08307	5.9
259.07382	1.1
277.86890	0.5
285.18375	0.6
303.06250	1.9
303.94485	0.5
321.07269	2.5
321.15451	2.9
327.91348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83657	1.0
55.05569	0.9
59.01389	16.2
71.01392	1.1
85.02963	4.3
87.04527	2.6
87.08607	1.1
98.84545	1.2
113.09732	1.3
115.04005	24.9
117.03455	16.9
119.05022	100.0
120.62437	1.3
130.04248	1.3
133.05067	27.8
145.02963	79.1
149.42564	1.3
150.88405	1.1
152.13638	1.2
159.10275	2.1
163.04013	94.7
175.06082	8.3
202.02823	1.5
217.08774	1.4
222.44765	1.3
279.08923	1.5
300.03317	1.1
316.00494	1.2
321.15643	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.16956	0.9
56.94176	0.9
59.01385	50.9
69.77833	0.9
71.00990	1.3
71.01376	23.6
85.02952	7.7
87.00863	1.0
87.89405	1.3
89.02425	18.9
92.11727	1.2
92.57450	0.9
95.01376	2.3
101.02426	17.8
112.40366	1.1
113.02466	7.6
113.09724	36.1
113.17302	1.0
119.03519	7.9
122.15231	1.1
132.16519	0.9
141.09178	7.3
143.10699	1.6
148.55579	1.0
155.10765	4.2
159.10257	71.9
201.11372	1.6
205.15799	1.2
321.15579	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	321.205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08654	0.4
54.20023	0.4
59.01388	23.6
76.57500	0.4
90.73643	0.4
92.11735	1.3
92.65651	0.6
109.49725	0.4
141.01663	0.5
221.19057	0.5
239.20175	100.0
240.20544	1.8
275.27203	0.6
321.20514	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	321.2438
Annotation	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol
Peak:m/z	Relative Intensity
54.82666	1.1
59.01392	100.0
61.98817	2.1
62.45351	1.1
62.66923	1.3
64.34592	1.3
72.64207	1.2
77.43621	1.3
87.61949	1.4
88.44823	1.4
92.11719	2.5
96.95416	2.3
96.95998	44.3
110.91481	1.2
116.92780	1.6
141.01709	6.3
225.18614	1.8
275.20224	2.8
321.20959	32.2
321.24371	56.8
322.24707	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	322.0937
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
53.10046	0.7
55.01866	1.2
57.03436	0.8
58.00600	1.7
59.01389	100.0
60.01703	0.8
61.98834	3.1
63.13761	0.7
64.34807	0.7
71.01385	47.3
72.99302	5.0
73.86575	0.6
74.92638	0.7
75.00884	0.8
83.01394	1.7
85.02949	11.0
86.47385	0.7
87.00884	1.7
89.02444	42.8
92.68114	0.7
95.00222	0.7
95.01386	4.5
99.00899	1.0
101.02439	22.4
113.02464	16.5
115.32839	0.8
116.05066	34.3
119.03482	13.4
119.04970	1.1
131.03513	0.8
132.03001	1.0
134.03775	1.2
143.03487	1.0
144.04541	1.2
146.06111	0.9
149.06140	1.2
159.03152	3.2
160.01909	1.0
160.04053	40.4
162.05637	2.9
179.05656	1.3
194.45525	0.7
202.05148	20.5
227.12817	0.8
232.06148	3.5
262.07202	28.5
272.72879	0.8
322.09399	51.9
322.12753	2.8
323.09814	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	2.6
58.21754	0.5
67.27829	0.4
91.43050	0.4
92.11797	0.6
121.02936	0.7
128.10808	10.1
130.08731	100.0
151.23151	0.5
167.73117	0.4
172.09825	2.8
211.58818	0.4
322.20279	34.9
337.42920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.5
64.83894	0.4
65.37644	0.4
71.30296	0.4
72.45972	0.5
73.79398	0.4
85.72401	0.4
110.57706	0.4
115.25333	0.4
142.05630	0.4
171.80447	0.5
196.44878	0.4
279.23306	100.0
280.23663	2.1
284.47220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09855	0.6
56.81228	0.6
58.00610	0.8
59.01388	52.4
61.98826	3.2
69.03461	0.6
71.01382	9.8
72.99302	1.5
74.91646	0.6
76.83675	0.7
89.02442	9.2
92.11682	0.8
96.96011	1.0
101.02451	4.4
119.05059	1.0
127.40494	0.8
141.01877	0.8
145.07721	1.5
159.03015	1.7
160.06425	26.8
161.07210	86.8
162.07573	1.1
175.08768	59.4
176.09189	1.2
187.08780	1.1
189.06703	100.0
190.07172	0.8
203.08296	32.9
203.10103	1.4
229.09801	0.8
305.11636	1.2
307.33588	0.8
320.78607	0.9
323.08676	1.2
323.12534	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09998	0.6
55.01873	4.0
57.03445	1.1
58.00595	3.4
59.01387	100.0
61.98814	0.9
71.01381	44.6
72.99291	3.7
73.02950	1.5
83.01372	3.7
85.02946	12.6
89.02440	45.6
92.11700	1.5
95.01375	1.7
99.00873	1.8
99.04518	0.9
101.02444	29.1
104.95079	0.9
113.02455	16.7
119.03490	19.7
119.04958	1.7
131.03468	1.1
143.03426	1.5
145.02916	1.7
161.04584	2.0
163.04051	1.5
179.05620	1.6
181.39906	0.9
323.13501	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58481	0.7
51.60809	0.5
55.01881	0.9
57.03444	1.2
58.00600	1.4
59.01386	100.0
63.12056	0.6
71.00983	1.3
71.01380	38.8
72.99290	3.2
73.02927	1.2
82.70506	0.7
83.01389	1.1
85.02936	8.5
87.86938	0.6
89.02438	44.4
95.01353	3.0
96.96024	7.5
99.08083	0.7
101.02436	18.7
101.12829	0.7
113.02438	14.6
119.03490	16.8
141.26508	0.6
179.05627	1.7
198.86661	0.8
308.74881	0.7
322.24774	0.8
323.13489	69.2
324.13733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97743	0.6
55.01881	1.5
56.57144	0.6
57.03434	0.8
57.68101	0.6
58.00596	1.3
59.01384	100.0
67.27149	0.7
71.01381	36.2
72.99289	1.7
73.02922	1.3
83.01383	1.0
85.02936	10.7
89.02435	46.0
92.12419	2.5
95.01379	4.3
96.95979	4.8
101.02422	21.9
113.02448	17.4
119.03498	17.9
127.60404	0.8
131.03519	0.8
153.98228	0.7
161.04514	0.8
174.79008	0.8
179.05597	1.6
323.13510	70.0
324.13876	1.6
326.72809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97440	0.3
59.01388	100.0
61.98850	0.5
70.87860	0.4
71.01393	2.2
73.02953	0.5
85.02963	1.8
89.02492	0.5
92.65543	0.4
96.96034	0.4
101.02478	1.5
127.49638	0.4
161.04626	0.7
170.05228	0.4
263.14969	3.9
281.35617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
76.58067	0.5
78.95891	0.5
87.30719	0.4
92.11742	0.5
109.02953	0.5
119.34251	0.5
126.90795	0.5
137.06108	1.0
141.09154	0.6
145.34003	0.5
156.04276	0.9
165.09212	2.4
165.12837	1.9
166.85428	0.5
191.14417	0.6
198.09097	0.6
261.22318	4.9
279.23431	0.7
291.16034	0.6
305.21246	100.0
306.21582	1.0
323.22333	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	323.2229
Annotation	TOFA
Peak:m/z	Relative Intensity
57.03447	0.7
57.22096	0.5
59.01378	2.0
61.98816	0.4
70.47199	0.4
113.09713	0.8
119.05013	0.6
137.09746	0.6
139.11305	0.7
175.45007	0.5
190.35716	0.6
223.17143	0.8
247.20415	0.7
291.19675	11.6
305.24994	4.0
323.22351	100.0
323.25861	7.9
324.22885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2592
Annotation	(plusmn)11-HEDE
Peak:m/z	Relative Intensity
57.03453	0.9
59.01366	2.9
99.74960	0.6
111.94815	0.5
113.09727	1.2
138.92702	0.6
178.13797	0.5
197.09247	0.6
199.13406	11.4
207.17746	0.6
223.17050	12.9
305.24887	32.9
306.25323	0.6
323.25949	100.0
324.26312	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2592
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
51.30386	1.4
52.58875	1.4
53.78367	1.3
53.82875	1.4
59.01374	9.7
59.18545	1.3
59.69570	1.4
60.01009	1.3
60.58466	1.7
61.98838	4.1
71.01357	1.9
85.25093	1.7
89.95775	1.6
156.61159	1.8
199.13329	3.0
223.17006	21.7
227.93340	2.0
241.21725	10.0
272.79022	1.7
277.21487	8.1
305.24893	22.5
323.25912	100.0
324.26089	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	324.2184
Annotation	Broussonetine W
Peak:m/z	Relative Intensity
58.02978	0.6
59.01387	0.3
59.44814	0.2
61.98838	0.3
65.84827	0.2
94.44612	0.3
105.54942	0.2
114.44125	0.3
118.17177	0.2
128.10817	2.3
130.08727	100.0
131.09045	0.4
171.10263	0.3
180.11401	0.2
218.36555	0.2
227.12903	0.4
260.77612	0.3
262.21753	0.3
306.20731	2.2
324.21841	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17030	0.8
58.56435	0.7
59.01374	1.0
67.86285	0.8
79.95702	1.0
80.36566	0.8
86.53993	0.9
92.12370	2.0
105.77600	0.8
109.99007	0.8
116.92877	1.2
139.76770	0.9
148.70598	1.0
155.95360	0.8
170.00430	1.2
171.10223	0.9
182.11896	3.9
183.01204	37.3
272.29163	1.1
279.26776	6.1
281.24857	100.0
282.25113	1.6
325.14621	1.8
325.18436	53.5
325.27368	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	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48285	0.8
59.01384	27.9
61.31543	0.9
63.29134	0.8
71.01378	16.5
73.02959	1.0
78.95903	1.7
85.02938	2.2
87.00874	1.6
89.02431	9.2
93.03445	4.3
96.96062	1.1
101.58084	0.9
117.03464	4.0
119.05029	11.0
121.02948	12.8
132.02161	13.5
133.02965	7.8
134.03731	84.3
135.04619	1.4
137.02443	6.2
143.05048	1.1
145.02930	6.4
147.04535	2.2
148.05345	3.7
149.06064	24.6
152.99583	1.7
154.79527	0.9
160.01651	70.1
163.03999	7.7
175.03987	55.2
176.04721	6.6
177.01970	1.9
178.02676	23.1
179.03421	1.5
191.07181	7.6
193.05055	100.0
194.05507	0.9
207.06544	1.4
209.04639	4.1
217.05060	3.7
219.08145	12.2
219.23514	1.0
221.08083	1.1
235.06081	10.2
236.08377	1.4
237.09349	29.8
263.07162	5.3
265.07187	66.6
279.23300	1.3
281.08170	16.0
284.03137	1.9
287.15015	1.0
289.16577	1.9
299.05829	1.3
325.06699	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	325.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34475	0.3
58.88110	0.3
59.01389	8.4
66.70776	0.3
70.23541	0.3
71.01395	3.1
71.09899	0.3
85.02956	0.5
89.02428	3.3
101.02426	1.4
104.38670	0.4
113.02428	0.6
117.03459	28.2
119.03430	0.4
119.05016	4.9
131.22668	0.4
133.06432	0.4
145.02960	100.0
146.03290	1.3
161.06061	1.3
163.03998	5.1
180.47963	0.3
187.04071	2.2
205.05121	0.8
216.76236	0.3
228.74014	0.4
265.07150	1.3
289.16599	0.4
325.09299	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	325.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96305	0.6
55.01882	2.6
57.03443	4.2
58.00595	0.9
59.01387	42.5
61.98826	0.8
71.01382	26.5
71.46486	0.6
72.99308	1.2
73.02934	4.6
78.95895	0.8
79.94168	0.9
83.01402	3.3
85.02949	10.0
85.20776	0.7
87.00922	0.7
89.02441	15.3
95.01392	1.3
96.96008	0.8
96.96969	0.7
99.00884	1.5
99.04480	1.0
101.02436	16.9
101.62456	0.7
105.03422	1.5
105.89108	0.7
106.46236	0.7
113.02465	10.2
115.03997	1.3
117.03414	0.9
119.03530	6.2
119.04998	5.8
133.02931	10.7
133.05011	0.9
134.04773	0.9
145.02940	5.3
161.04539	2.8
163.04346	44.9
164.04576	0.8
177.01952	1.5
183.79327	0.7
205.05435	0.9
211.80568	0.7
325.09677	100.0
326.10153	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	325.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03448	3.5
59.01385	40.0
64.29472	0.5
71.01379	23.0
72.99314	0.7
73.02924	3.8
74.53355	0.5
75.38327	0.6
77.76741	0.6
83.01365	3.4
85.02949	9.9
87.00860	1.2
89.02431	12.9
92.12231	0.8
93.65314	0.5
95.01345	1.2
96.95983	2.8
98.95579	2.7
99.00856	3.0
99.04513	1.0
100.58952	0.7
101.02430	14.2
105.03451	3.6
113.02435	7.8
115.03985	1.5
119.03483	3.7
119.05003	2.8
133.02943	12.1
133.05070	1.5
145.03188	1.4
151.03999	0.7
159.02931	0.9
161.04559	3.0
163.04340	38.2
177.01917	3.5
278.59885	0.7
279.23227	0.9
325.09650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1073
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
53.33694	0.3
54.82534	0.3
56.05291	0.3
59.01156	0.3
59.01384	5.7
60.01702	0.4
60.15464	0.3
61.60303	0.3
61.98811	0.4
68.96516	0.3
71.01376	2.5
71.05016	0.7
72.99307	4.3
73.02956	3.9
75.00854	0.5
79.95726	13.6
80.96075	0.6
80.96514	9.0
83.01398	0.5
85.02944	0.5
85.59272	0.4
89.02440	1.9
96.96011	2.0
99.64812	0.4
101.02403	1.6
106.98093	12.8
112.04071	0.6
113.02421	0.6
114.05616	2.1
115.05116	1.7
119.03529	0.6
124.00733	59.9
131.08282	0.5
134.04736	0.5
134.21312	0.4
146.08244	1.7
178.01813	5.9
190.15144	0.4
192.06442	0.4
195.04448	32.4
221.28755	0.4
223.03961	20.2
245.73476	0.5
251.03477	0.9
257.77646	0.4
280.05856	0.4
307.09769	0.8
324.13779	0.9
325.10782	100.0
326.11203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69135	1.9
58.02983	34.1
59.01376	11.6
61.53671	1.7
61.98823	8.4
70.02985	37.1
71.02514	7.0
76.11559	1.7
77.26465	1.8
79.95736	3.4
81.03455	2.6
83.05022	3.7
87.05624	3.8
95.02486	3.9
96.00917	35.1
96.96008	18.3
101.75903	1.9
113.03575	55.4
114.01968	66.2
121.03051	2.3
131.04619	82.1
134.03751	3.0
134.04710	8.4
149.04541	2.8
175.72577	1.9
192.13954	7.9
210.15041	3.9
250.67535	2.2
251.48044	2.1
265.14511	3.3
279.23370	2.2
289.16577	2.1
294.52237	2.5
307.16675	60.8
325.09723	10.9
325.17712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74498	1.6
58.08676	1.9
116.07871	2.0
126.78899	1.8
130.49005	2.2
183.01208	67.4
197.02768	2.8
259.82648	2.5
272.21573	2.1
279.23322	16.0
325.18445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03438	2.4
59.01356	4.4
69.03439	1.2
71.04980	1.8
71.98450	0.9
73.02931	1.1
78.11186	0.8
80.02639	5.4
83.04981	4.7
84.02133	6.2
95.05008	1.3
97.06595	8.7
103.72601	1.0
113.09695	1.6
115.07587	5.2
121.02859	2.0
123.08080	3.9
125.06135	1.1
125.09715	47.3
126.71861	1.0
127.11209	5.0
134.04684	2.4
135.08124	1.5
137.09724	30.4
149.09691	1.1
153.09151	2.4
155.10773	12.5
163.11194	3.8
164.08371	1.2
165.12770	4.0
171.10245	2.5
178.09894	4.0
183.01208	16.4
191.10768	1.6
197.02802	22.7
198.03386	1.3
206.31708	1.0
209.11847	48.0
227.12885	1.2
279.19452	4.7
281.21246	1.3
289.17905	5.6
307.19177	100.0
308.19299	2.3
325.18253	52.5
325.24155	2.2
326.18692	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2017
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.13113	2.6
57.03442	10.2
59.01370	16.2
59.67966	2.5
63.35468	2.5
71.05001	3.3
80.02676	5.2
84.02143	6.0
95.05003	9.5
97.06561	16.7
98.03714	4.8
99.04480	2.7
99.31837	2.5
113.09736	18.1
123.08132	10.3
125.09713	73.0
125.28197	2.6
127.11290	3.5
134.04701	16.2
136.62012	2.5
137.09714	42.4
153.09229	11.3
155.10764	36.3
163.11203	2.4
165.12854	10.4
169.12318	4.7
187.09778	2.6
189.09265	2.4
191.14381	3.1
209.11876	5.6
227.12863	9.6
245.19040	11.8
289.18045	16.2
307.19165	100.0
313.83459	2.6
313.87399	2.5
325.20370	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
54.72288	0.9
54.82547	0.9
57.03441	5.2
57.22300	0.9
59.01382	4.8
69.03440	1.0
71.01379	1.0
71.05020	2.6
74.91408	1.0
80.02692	7.6
80.70866	1.1
83.05015	2.1
84.02163	12.2
85.02949	1.5
90.71098	0.9
92.35776	1.1
95.05015	1.4
97.06564	12.8
99.08144	1.6
110.03745	1.6
113.09718	1.6
121.06605	1.2
123.08149	9.7
125.09711	81.0
127.11265	4.0
127.21188	1.2
134.04674	1.8
137.09723	56.8
153.09193	10.1
155.10757	12.0
164.08408	1.5
169.08762	2.1
171.10266	11.4
187.09796	2.5
191.10732	1.2
201.11360	4.4
209.11832	9.5
213.11320	1.1
227.12877	5.1
263.20111	4.2
279.19669	6.6
281.21075	2.2
289.18237	9.0
307.19189	100.0
308.09805	1.1
308.19391	4.2
325.14554	1.4
325.20239	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2173
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
52.86716	0.3
54.28910	0.4
62.03670	0.4
64.33973	0.4
67.42957	0.4
67.71406	0.4
68.78518	0.4
72.67739	0.3
83.58716	0.4
112.11243	0.5
149.09709	95.1
163.11275	100.0
164.11603	0.7
183.01187	4.2
183.73492	0.5
325.18430	6.7
325.21753	80.6
326.22113	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2176
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
52.21207	0.2
61.98829	0.3
70.01392	0.3
87.28986	0.3
89.63426	0.2
99.10036	0.3
115.23672	0.3
119.22746	0.3
132.33371	0.3
133.06534	2.5
134.04715	0.5
147.08182	1.9
149.09711	95.7
150.09996	0.7
163.11276	100.0
164.11601	1.9
183.01154	4.7
325.18411	7.1
325.21744	81.6
326.22116	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	325.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01337	0.4
64.48449	0.3
70.37145	0.4
75.50673	0.3
90.20988	0.3
97.26360	0.3
97.42353	0.4
104.90321	0.3
112.55786	0.3
116.92864	0.4
133.06593	1.8
134.04738	0.6
149.09715	78.5
150.10071	0.8
163.11281	100.0
164.11630	0.8
182.99579	0.6
183.01196	17.2
184.01793	0.4
218.02621	0.4
278.21994	1.3
279.22235	1.7
280.83005	0.3
325.18286	22.6
325.21674	76.0
326.18692	1.2
326.21994	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	325.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41764	0.5
62.42774	0.6
70.83032	0.5
85.74640	0.5
94.26962	0.7
99.04996	0.6
101.17562	0.6
108.01104	0.6
117.17881	0.7
133.70169	0.7
136.41438	0.7
139.11342	0.6
153.12889	0.7
183.01196	1.3
193.12012	0.8
249.22369	1.0
265.21652	1.3
293.21222	10.0
310.21527	2.9
325.17929	3.0
325.23871	100.0
326.24185	2.8
333.57129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77414	0.2
53.09863	0.2
54.17076	0.2
58.88876	0.2
59.01377	0.5
60.98860	0.2
79.95725	0.6
116.92943	0.4
119.05035	0.5
124.10286	0.3
134.04713	0.4
141.36467	0.3
149.09634	0.3
150.71289	0.3
170.00403	0.6
179.23665	0.3
183.01216	28.8
184.01982	1.5
197.02733	1.9
216.01016	0.3
261.22205	0.5
279.23309	100.0
280.23676	2.1
325.18469	38.5
325.26968	2.7
326.18823	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.275
Annotation	alpha-Hydroxycycloheptanetridecanoic acid
Peak:m/z	Relative Intensity
65.57645	0.3
78.99352	0.4
80.70634	0.3
92.11662	0.7
110.00240	0.4
135.72037	0.4
156.71629	0.4
168.38846	0.4
182.99561	0.6
183.01204	16.9
184.01852	1.6
189.09439	0.4
197.02771	0.7
217.40561	0.4
277.25351	0.8
279.26950	45.8
280.27386	1.7
307.26358	2.0
325.18549	25.3
325.27493	100.0
326.18823	2.6
326.27856	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	325.275
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
51.70705	0.3
55.31323	0.3
61.98831	0.4
71.50783	0.3
116.92793	0.3
119.81545	0.4
134.04774	0.7
143.89514	0.4
155.14442	0.9
183.01204	3.5
183.13878	1.4
191.80623	0.4
193.20152	0.3
199.13402	5.1
220.92693	0.4
253.21710	0.5
307.26437	10.5
319.19916	0.4
323.25949	0.8
325.18762	9.2
325.27515	100.0
326.18814	0.6
326.27887	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	325.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02802	0.5
54.06693	0.5
59.01374	2.5
70.25201	0.5
71.17931	0.6
79.95715	1.2
96.95999	0.8
116.92870	1.1
119.05034	1.2
170.00435	1.5
173.24651	0.7
183.01215	68.4
184.01857	3.5
185.99672	0.7
197.02861	3.8
216.01010	2.2
279.23538	2.4
279.26932	39.5
281.24951	3.5
282.25226	8.3
297.24362	1.4
307.26535	1.3
325.18478	100.0
325.27463	84.8
325.31464	1.4
326.18747	8.4
326.27783	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2751
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
59.01375	1.0
61.98840	1.0
65.18361	0.7
88.81250	0.6
92.12365	1.3
99.85664	0.6
101.78649	0.6
134.04720	1.3
152.17645	0.9
153.12811	1.4
176.75734	0.8
183.01216	10.8
225.78429	0.8
253.21901	1.0
281.28354	1.0
307.26331	0.9
325.18668	19.3
325.27515	100.0
326.27649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.6
61.98825	4.4
69.18283	0.5
71.01379	2.2
72.00903	12.5
73.02946	2.4
75.00879	0.6
78.80852	0.5
78.95902	0.9
82.95417	6.2
84.95118	7.6
87.83665	0.5
89.02452	1.0
96.95998	2.8
96.96964	0.9
101.02435	7.8
106.94888	0.6
113.02446	0.8
134.04715	24.9
134.05661	1.1
144.08203	0.6
147.04523	45.1
149.06052	1.0
156.50789	0.6
161.04640	0.8
164.07169	100.0
165.07474	0.9
169.31938	0.6
206.08195	2.7
227.84361	0.6
236.09348	2.7
251.97693	0.6
281.41943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73348	0.2
59.01386	0.7
61.98834	100.0
62.36837	0.2
96.95995	5.7
96.96557	0.3
108.54402	0.2
119.05036	0.8
120.05391	0.3
134.04730	3.0
136.62668	0.2
145.02994	0.2
157.05130	0.2
162.05597	3.1
164.01871	0.2
167.01645	0.2
186.58253	0.2
191.00531	0.2
192.01286	1.0
206.04642	1.8
245.12863	0.2
247.31683	0.2
327.11176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22635	0.1
59.01389	0.6
60.60006	0.1
61.98831	0.2
63.72079	0.1
75.14574	0.1
75.46540	0.1
88.04037	100.0
89.04371	0.3
92.11746	0.2
98.06129	0.1
99.92592	0.8
111.14398	0.2
115.92078	0.3
116.92831	2.0
123.37867	0.1
129.93732	0.1
134.04715	0.3
194.48109	0.1
194.54521	0.1
227.20207	1.2
228.20506	2.3
249.96028	0.1
266.22137	0.7
282.28043	0.8
326.27045	36.0
327.12726	0.9
327.27350	0.7
345.72498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Paeonoside
Peak:m/z	Relative Intensity
59.01385	71.8
71.01384	26.3
72.99294	4.1
77.16286	0.9
83.01368	1.6
83.06920	1.1
85.02957	8.3
89.02436	25.8
95.01322	1.5
96.95995	2.2
101.01817	1.6
101.02428	13.1
113.02454	11.6
119.03490	8.4
119.05015	6.1
123.23734	1.0
147.04521	100.0
151.85147	1.1
155.00378	1.0
165.05571	17.3
277.54355	1.0
327.10883	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.93717	2.0
57.03448	6.0
59.01371	3.8
69.03424	4.1
72.02267	2.1
72.34431	2.4
80.02664	13.9
81.03410	8.8
83.05024	20.7
84.02155	14.8
85.02940	4.2
91.70142	2.4
97.02917	4.3
97.06573	10.1
99.08138	9.5
111.08164	3.1
113.09714	3.7
123.04523	5.6
125.09733	13.4
127.11279	4.4
130.88496	2.3
137.09703	100.0
139.11255	5.3
151.11240	5.0
153.09221	5.8
155.10820	24.7
163.11336	4.1
165.12856	3.8
167.10645	3.2
171.10268	81.6
189.08499	3.0
193.12329	14.4
204.12119	2.8
209.11842	9.6
211.13226	3.2
215.12967	5.8
221.11960	4.9
247.20717	5.2
263.20340	3.4
291.19650	40.6
309.20789	10.2
327.21747	12.9
331.73648	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82925	0.7
57.03457	0.6
58.00591	2.9
59.01392	5.9
63.12124	0.5
65.01598	0.5
69.11459	0.4
70.40132	0.4
83.04987	0.8
84.04778	0.5
97.06582	3.4
109.06479	0.5
111.08160	15.8
125.09737	0.8
127.07633	0.7
131.13689	0.5
137.09737	1.0
153.12871	1.0
155.99657	0.5
160.61942	0.6
169.12343	6.8
171.10271	5.5
179.10764	0.7
181.12387	0.8
183.01154	1.8
197.11855	55.1
199.13440	7.0
201.11404	1.0
209.11951	0.8
209.15582	0.6
211.13379	3.7
227.12936	1.0
251.16638	0.7
258.69238	0.5
263.20224	1.2
291.19711	4.3
309.20740	3.3
314.19666	0.6
327.21811	100.0
328.22073	2.2
339.11313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.04706	0.7
54.18703	0.6
56.44528	0.6
57.03442	3.5
61.04687	0.6
69.03448	4.0
70.08459	0.6
71.01384	0.7
71.10921	0.6
72.97091	0.7
82.00765	0.7
85.02946	10.0
85.10487	0.6
86.01218	0.6
91.96526	0.7
97.02907	0.9
97.06567	4.5
119.08640	0.8
125.09752	1.1
127.11282	1.6
134.74469	0.7
137.09732	1.5
153.32825	0.6
165.12949	0.8
167.14465	0.8
171.10257	25.3
183.13869	4.9
185.11836	0.9
189.49756	0.8
209.11671	1.3
211.13405	21.1
221.11896	1.5
229.14474	12.9
291.19757	1.3
327.21780	100.0
328.22101	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50281	0.7
51.11375	0.7
57.03442	4.9
57.79970	0.7
58.74673	0.7
59.01372	4.1
62.54962	0.9
69.03448	5.4
71.15321	0.9
77.10895	0.8
87.04501	1.9
89.26537	0.8
108.05805	2.0
117.47746	1.0
119.08640	5.2
125.09689	3.9
127.11261	4.0
137.09703	25.7
137.69022	0.9
140.80438	0.9
171.10260	89.0
172.10680	1.2
192.19972	1.3
195.10240	0.9
195.13921	3.4
197.11768	1.0
201.11325	18.2
221.15594	1.7
231.09010	0.9
233.50815	1.0
239.16522	36.9
290.72220	1.0
291.19656	7.3
309.20862	8.5
327.21771	100.0
328.22134	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	327.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82527	1.0
56.10938	0.9
57.03448	7.9
59.01383	2.6
62.83345	1.1
69.03448	1.5
71.01385	1.8
84.02164	5.8
84.35330	1.0
95.05007	1.4
97.06567	6.6
99.08150	7.6
111.08147	1.7
113.09719	7.1
123.08153	1.5
125.09720	40.1
127.11311	8.0
129.09244	1.7
137.09744	2.6
139.11305	1.7
143.10789	33.6
153.09285	1.4
155.10733	8.6
165.09241	1.8
167.10796	1.3
171.10263	25.9
183.10309	1.2
183.13972	1.3
185.11798	15.1
187.09779	2.1
197.11838	12.4
201.11351	28.8
209.11893	2.1
213.11368	1.1
227.12941	1.6
265.21744	23.1
282.29526	1.4
283.22754	9.0
291.19699	4.6
299.22430	4.4
309.20688	9.6
327.21838	100.0
328.22281	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82624	8.4
55.23080	8.8
57.03444	42.4
58.00594	18.2
58.05766	8.3
59.01386	80.8
60.55556	7.4
61.98844	11.1
62.13495	9.0
69.03446	10.1
71.01385	15.5
83.05015	10.9
85.28328	11.8
97.06528	13.6
113.09738	14.5
123.08166	10.3
125.09666	21.5
127.11227	16.7
137.09764	12.2
139.11305	12.0
151.11314	17.3
155.10765	43.2
159.23273	9.1
163.11374	11.0
165.12805	12.7
167.10678	20.6
171.10289	100.0
172.84099	10.2
181.12390	21.4
185.11859	59.7
197.11896	12.5
209.11957	15.7
213.73206	10.1
235.56178	10.2
236.86388	10.2
263.20157	17.3
282.40771	10.1
291.19556	36.6
309.20135	19.5
327.21765	14.2
327.25421	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25933	1.4
57.03449	6.5
58.00589	3.1
59.01381	3.8
64.11819	1.2
66.01157	1.5
67.13648	1.5
69.03436	1.9
70.74869	1.3
71.01358	1.7
71.26919	1.2
76.57604	1.5
77.20736	1.4
83.05038	1.9
84.02157	6.0
97.06583	8.1
99.08146	2.1
115.07663	2.4
123.08128	3.5
125.09704	54.4
127.07574	1.7
127.11286	8.0
137.09712	6.2
139.11282	8.0
143.10779	35.3
155.09659	1.5
155.10786	10.3
162.47595	1.4
165.09229	3.2
169.12340	2.1
171.10257	38.6
172.50432	1.7
183.10300	3.7
185.11926	12.5
185.13303	1.7
187.09753	7.9
197.11858	10.3
199.13326	3.4
201.11342	49.7
205.33766	1.5
209.11841	5.9
222.19720	1.7
227.12866	16.3
229.14481	2.3
243.77422	1.6
255.23332	1.6
265.21719	3.3
291.19693	8.1
299.22235	8.5
309.20673	15.6
327.21829	100.0
328.22372	1.7
331.95523	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	327.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45645	0.3
60.16639	0.4
68.74291	0.3
75.00861	0.4
92.11802	0.9
100.78099	0.4
142.01816	0.4
183.01241	0.5
185.00713	2.9
228.18639	0.4
229.14355	0.4
231.65463	0.4
269.21548	0.4
280.27368	0.5
281.24869	100.0
282.25247	2.5
299.25827	0.6
326.27884	1.9
327.18539	6.4
327.22183	0.7
327.28601	2.2
345.75140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01386	1.1
63.77290	0.2
73.38933	0.2
77.53111	0.2
90.00707	0.2
141.12877	1.8
145.85602	0.2
167.14424	0.2
169.15974	1.2
197.78452	0.2
265.21634	0.5
267.22372	0.8
281.28442	1.7
299.26004	0.3
309.28030	2.9
325.27356	1.5
327.29068	100.0
328.29324	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2906
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
55.01883	1.5
56.07632	0.3
82.62605	0.4
85.86469	0.5
92.12042	0.5
180.36633	0.4
249.17841	0.4
253.25525	0.7
277.25323	1.8
279.27042	5.0
281.28506	79.0
309.28009	2.0
327.29080	100.0
328.29514	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	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38655	0.4
56.32645	0.5
57.32038	0.5
57.50086	0.4
57.92899	0.6
59.01393	62.2
87.35623	0.4
99.50082	0.5
115.02508	2.1
117.00446	8.2
126.98850	0.7
136.58597	0.5
143.01994	0.8
144.99939	1.9
155.07318	0.5
157.03545	0.8
159.01495	100.0
168.99931	1.9
169.83847	0.5
175.12538	0.5
187.00989	89.8
201.02568	14.2
216.64238	0.6
329.02341	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.067
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
50.22659	0.3
50.24573	0.3
51.05259	0.3
65.00297	0.5
107.01360	0.5
125.09715	0.9
127.11254	3.3
151.00362	3.7
155.10664	0.5
161.02434	17.3
171.10303	3.3
177.25092	0.4
183.04515	1.9
185.02452	5.1
187.00375	1.8
199.04056	3.3
199.09865	0.4
201.01965	0.7
201.11349	13.1
203.03532	8.9
215.03496	2.7
227.03532	20.7
228.03746	0.5
229.01422	2.4
243.02934	6.8
255.03032	0.6
271.02487	56.5
272.02869	2.1
285.04083	2.5
293.21277	0.8
299.01993	100.0
300.02313	1.7
313.03549	5.3
314.04364	56.3
315.04803	0.8
329.06702	85.9
329.23358	23.6
330.06891	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78170	0.2
53.75116	0.2
54.82143	0.2
59.01397	0.3
61.98843	100.0
70.19128	0.2
86.58775	0.2
91.08392	0.2
95.39971	0.2
129.68608	0.2
134.04726	2.0
135.05115	0.8
184.09883	0.2
277.75372	0.2
305.00394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0883
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.66645	0.8
59.01374	2.1
61.98832	1.6
71.01374	1.3
96.96010	1.6
108.02178	94.8
123.04520	34.8
125.02283	1.0
131.62074	0.8
152.00130	1.1
152.01149	62.9
167.03494	100.0
212.28477	1.1
217.55960	1.0
222.90610	1.1
279.37189	1.1
329.08878	1.1
347.95459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
59.43972	0.4
61.98837	8.2
66.34247	0.3
70.28200	0.4
70.31859	0.3
71.01383	4.6
73.02939	0.6
75.00880	0.7
83.01385	0.7
85.02933	1.9
89.02411	0.4
91.18237	0.3
94.55350	0.3
96.96000	0.9
99.00867	0.7
101.02445	2.6
108.02171	1.6
109.02950	1.7
113.02457	3.0
121.02984	0.9
122.03742	100.0
123.04527	8.6
127.83936	0.4
131.03516	0.5
135.04474	1.1
137.02507	0.7
137.03580	0.7
137.06038	0.7
147.04536	0.5
149.06023	0.4
153.75597	0.4
159.02977	0.7
161.04564	7.3
165.05559	3.3
167.03551	0.5
167.43340	0.3
177.05585	1.9
285.09863	1.8
329.08890	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.93363	1.4
56.90902	1.3
57.06367	1.0
58.00614	1.7
59.01387	100.0
59.20097	1.2
61.98839	1.5
62.74101	1.2
63.17464	1.4
66.99843	1.3
71.00987	1.9
71.01382	49.6
72.96251	1.3
72.99297	3.5
73.02946	1.5
81.03437	1.5
81.19751	1.2
81.49609	1.3
83.23116	1.3
84.56998	1.4
85.02935	11.9
89.02448	39.4
90.97143	2.2
95.01363	3.4
96.95950	1.9
101.02440	23.9
107.01410	1.7
108.02171	8.4
113.02457	15.4
119.03479	9.0
123.00854	1.8
123.04551	14.3
132.98177	2.1
151.00378	7.8
152.01190	11.5
165.05614	1.8
166.02713	8.3
167.02150	2.9
167.03496	58.0
170.88364	2.6
181.05110	8.9
186.95578	8.6
190.74284	1.5
194.02219	2.7
202.88795	1.5
209.04565	30.8
225.28088	1.7
239.05621	1.8
244.31253	1.4
252.71945	1.6
254.85742	2.0
269.06680	6.4
308.16635	1.8
329.08838	89.3
336.46310	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	329.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.0
62.55990	11.1
67.42185	9.9
67.65694	12.1
97.09644	10.1
110.68932	11.1
112.31490	12.4
152.99684	13.5
193.40292	11.8
221.15453	18.5
236.10495	12.6
279.23471	15.0
293.18167	15.3
293.21173	100.0
329.23279	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93903	0.5
53.42710	0.6
58.00600	1.3
59.01366	2.4
63.49776	0.6
63.93259	0.5
68.99267	0.6
89.49769	0.5
91.65824	0.6
98.91540	0.6
99.08148	6.1
105.93703	0.6
125.09686	2.4
127.11269	4.8
129.09213	2.4
139.11298	3.9
155.10806	0.9
165.09396	0.8
169.12341	4.1
171.10271	21.4
181.12335	3.6
183.13866	1.0
197.11783	0.7
199.09785	0.8
199.13414	11.7
201.11357	15.3
211.13452	8.4
229.14430	0.7
248.92482	0.6
250.41351	0.6
275.20309	1.2
293.21240	4.4
296.47098	0.6
311.22281	2.5
329.23370	100.0
330.23596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27752	0.6
83.05014	0.8
97.06601	1.0
99.08144	8.9
125.09732	1.9
126.84605	0.7
127.11285	4.2
129.09195	0.9
139.11298	5.6
155.14371	1.0
165.12875	0.9
167.14436	1.5
171.10269	15.7
183.13908	8.8
193.12343	1.8
194.16000	0.7
209.11882	1.3
211.13435	43.9
225.69987	0.8
229.14473	18.4
292.15646	0.9
329.23373	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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.06951	0.6
55.84572	0.7
58.00603	1.3
58.20856	0.7
59.01389	3.1
92.11734	2.4
93.04684	0.7
111.92207	0.9
125.09676	5.1
127.11290	11.3
137.09698	1.1
139.11270	7.2
155.10826	3.3
165.09196	1.8
171.10277	40.4
185.11815	2.0
199.09703	1.2
199.13333	1.0
201.11334	32.2
202.90054	0.9
275.20099	1.4
279.17236	0.9
293.21216	3.7
311.22165	1.7
329.23361	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	329.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
58.84883	0.7
76.33788	0.6
81.48213	0.6
85.89268	0.6
88.51338	0.6
99.08156	10.8
124.58774	0.7
125.09698	1.3
127.11287	10.5
137.09770	1.3
139.11287	34.3
155.10806	1.5
157.12326	1.6
165.93758	0.6
171.10272	58.4
172.10655	0.8
201.11298	1.1
211.13409	6.6
213.64038	0.8
221.52415	0.7
229.14493	4.0
233.39323	0.7
249.63397	0.7
279.01300	0.8
293.21255	1.2
329.23380	100.0
330.23788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14241	1.4
55.01713	1.4
57.03448	2.3
59.01386	6.8
61.98839	2.1
92.11750	6.9
97.06557	1.9
97.08312	2.0
99.08175	6.7
125.09769	2.5
127.11273	6.9
128.11621	2.3
136.45731	1.9
139.11270	12.8
140.11617	6.2
171.10292	23.9
172.10593	13.0
183.14003	2.1
184.14223	2.5
201.11458	1.8
203.74794	1.6
211.13405	17.3
212.13776	20.0
229.14404	3.8
230.14680	4.0
294.21378	2.1
324.24548	1.7
329.23376	34.7
330.23700	100.0
337.41660	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1039
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
55.02889	0.6
59.01381	1.5
61.98848	1.0
68.61328	0.7
75.74937	0.8
77.11478	0.7
85.02985	1.0
96.95987	4.0
101.12611	0.7
101.70474	0.7
106.12137	0.8
110.00100	6.3
116.13812	0.7
121.34656	0.9
125.02434	5.1
129.92332	1.2
137.99577	8.6
139.00351	1.4
140.01085	0.7
145.96696	1.0
152.01115	1.3
153.01939	100.0
154.02699	1.5
167.03442	6.6
168.04266	37.7
169.05003	4.2
250.89099	0.8
271.01535	1.0
331.10193	2.6
345.83154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1337
Annotation	Chlovalicin
Peak:m/z	Relative Intensity
55.03004	1.7
57.21931	0.8
59.01376	4.1
59.80092	0.9
64.34360	0.9
65.93514	0.9
73.53145	0.8
74.02470	52.1
84.23070	0.9
111.05641	4.0
119.54166	1.0
125.07206	5.3
125.09767	1.1
142.78835	0.8
143.04681	1.6
148.11313	2.1
151.04189	1.1
152.02953	1.1
166.12320	9.9
178.12376	1.7
180.13940	6.2
182.11720	1.1
184.13458	1.0
189.12837	1.2
196.13461	14.5
206.11922	3.8
209.16609	1.9
210.11322	1.1
221.12929	2.1
224.12949	3.7
225.45335	1.1
235.14546	5.7
244.08136	1.0
253.15588	67.1
279.13336	1.4
285.14478	7.8
297.14575	100.0
331.13333	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.155
Annotation	Gibberellin A4
Peak:m/z	Relative Intensity
50.59317	0.5
51.24306	0.7
54.29682	0.6
59.01373	6.0
61.59450	0.7
61.98804	0.6
63.10013	0.6
71.05013	1.4
72.39262	0.7
73.24948	0.6
77.07824	0.7
83.05009	3.6
121.52464	0.7
147.11815	1.1
169.91664	0.8
173.09653	1.0
225.16371	5.2
228.18488	0.8
236.20840	0.7
243.17575	4.2
264.51392	0.7
269.15445	1.4
287.16458	25.3
289.55106	0.7
331.15506	100.0
331.18570	3.5
332.15909	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1916
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
59.01386	2.6
73.66338	0.3
82.61868	0.3
92.94131	0.4
103.34564	0.3
127.11282	0.4
155.10767	0.6
171.10274	2.2
199.13428	0.7
201.11313	1.4
229.14433	0.7
287.20187	0.4
313.23828	1.8
330.23792	1.6
331.19174	100.0
331.24860	15.4
332.19684	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	331.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74795	0.3
58.00612	0.4
60.22858	0.3
62.38014	0.2
77.03010	0.2
78.39006	0.3
80.32359	0.3
89.05511	0.3
100.69378	0.3
115.63488	0.3
125.09730	1.6
127.11279	7.8
136.03656	0.3
143.10773	1.1
155.10799	2.7
157.12335	4.8
171.10233	2.6
187.13364	1.3
201.11357	1.7
252.01779	0.3
295.22852	1.7
311.22479	0.6
313.23883	8.5
329.23285	5.6
331.24930	100.0
332.25305	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	331.2492
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
57.03463	1.2
58.00607	0.7
59.01383	2.8
61.98829	0.6
69.03452	0.5
71.01380	0.3
71.11195	0.3
99.08151	6.7
113.09703	0.4
125.09730	0.9
127.07655	0.5
127.11263	4.5
129.09201	2.8
139.11282	1.6
143.10817	0.5
155.10814	0.7
157.12343	0.6
159.93451	0.5
171.10260	7.1
183.13922	1.6
187.76724	0.4
195.13866	4.6
201.11330	2.8
201.14989	0.9
211.13490	0.7
213.15053	0.7
229.14435	0.4
231.58923	0.5
277.21793	0.5
295.22797	0.7
311.22479	0.5
313.23883	8.9
329.23349	9.8
331.24918	100.0
332.25229	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	333.0598
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
52.34444	0.2
53.02211	0.2
54.96659	0.2
57.30242	0.2
60.12094	0.2
78.95901	100.0
96.96046	2.7
96.96955	22.1
98.95581	0.5
107.04782	0.3
121.74745	0.3
150.98019	1.5
152.99593	69.0
171.00650	10.1
171.23120	0.3
223.00264	0.5
241.01204	33.5
247.15073	0.3
259.02277	2.6
333.05972	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10205	7.4
59.01389	95.7
61.98838	11.0
63.01897	8.3
112.83734	8.6
114.16839	8.4
129.09203	100.0
154.30144	8.8
171.10449	8.7
203.59357	8.7
273.16953	17.0
306.97629	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	333.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.0
59.01387	24.0
62.12463	0.6
77.25942	0.5
77.42844	0.5
88.95757	0.5
97.13832	0.6
155.28830	0.7
168.48149	0.6
180.62813	0.7
233.19086	1.0
251.20174	100.0
252.20415	2.8
270.61884	0.7
286.47989	0.7
313.47443	0.6
333.20502	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	333.2073
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
50.61060	0.2
59.01368	0.7
74.52424	0.3
120.83878	0.3
121.80206	0.3
168.81882	0.3
168.91402	0.4
218.69107	0.3
235.84036	0.3
247.78867	0.3
333.20746	100.0
334.21301	2.3
343.57709	0.4
351.52350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2073
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
59.01383	1.1
61.98820	0.9
64.57657	0.5
66.00034	0.5
84.52986	0.6
105.02522	0.7
123.20722	0.6
139.34961	0.6
150.09206	0.6
151.21515	0.7
179.68825	0.6
246.19098	0.6
269.19180	1.1
272.80261	0.6
283.05231	0.6
289.21741	22.6
302.16345	0.6
304.02765	0.8
333.20718	100.0
334.20807	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04911	4.2
59.01359	8.4
61.98825	4.8
93.44189	4.5
101.86768	4.7
116.92844	10.4
187.89952	4.9
209.07980	16.9
228.93053	5.6
246.54582	5.2
248.10405	5.5
249.61076	4.6
265.21811	4.9
278.34436	5.3
297.24347	8.1
302.30280	4.5
305.20880	6.0
333.20508	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	333.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.4
61.98815	3.8
62.74434	2.9
65.54746	3.2
68.28405	3.5
68.43802	3.0
76.62117	3.5
86.50697	3.8
90.37104	3.3
103.63409	3.2
116.92802	4.9
209.07906	6.3
248.10266	3.9
275.45450	3.7
297.24356	6.0
307.90710	3.7
333.20502	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	334.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09082	0.2
61.98832	100.0
67.44855	0.2
85.06902	0.2
109.33474	0.2
116.54134	0.2
159.39349	0.3
253.79642	0.3
277.21732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0518
Annotation	2,2-Bis(4-hydroxyphenyl)hexafluoropropane
Peak:m/z	Relative Intensity
52.02477	0.2
59.01370	0.5
61.98818	0.8
68.61607	0.2
68.99575	14.2
83.95087	0.2
108.02155	0.3
111.02525	2.6
131.39658	0.2
144.81296	0.2
149.04002	0.3
152.43364	0.2
161.02176	1.4
167.05052	0.3
167.66455	0.2
169.04655	0.3
170.91081	0.2
177.03474	1.7
187.05702	0.3
188.22484	0.2
192.95877	0.5
195.04512	1.9
197.04115	2.4
205.02998	1.3
215.05220	2.4
216.03949	0.4
225.03561	4.0
226.04283	0.3
227.03088	0.3
235.16812	0.2
244.03416	3.5
245.04190	5.6
250.99670	0.2
253.18089	0.9
265.04837	100.0
266.05255	1.9
275.03162	0.3
275.16382	0.4
295.03964	1.0
315.04468	1.1
335.05176	32.5
336.05600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82516	1.5
59.01373	12.2
71.01381	4.0
78.95898	1.9
82.95403	3.6
85.02952	2.1
87.00905	2.1
89.02404	2.3
92.11796	2.1
93.02894	3.3
93.03452	70.6
96.96003	4.1
115.92084	3.0
125.03545	2.6
128.80220	2.0
137.02448	100.0
173.08063	1.6
222.54396	1.6
288.92749	1.9
299.07785	3.2
335.13507	4.0
335.52142	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	335.104
Annotation	Daurioxoisoporphine B
Peak:m/z	Relative Intensity
53.77213	0.5
59.01397	0.8
61.98825	1.1
78.95892	0.8
83.34126	0.7
85.37221	0.6
96.95990	1.5
104.05074	1.0
111.27125	0.6
116.05051	1.1
117.03429	4.6
119.05000	38.8
131.03743	5.2
132.04520	9.8
133.02957	1.3
144.04530	6.8
145.02924	22.7
146.02434	1.5
147.03247	61.9
148.03995	1.1
150.05635	0.8
152.11194	0.7
153.57486	0.6
159.03232	21.4
160.04019	61.1
162.05586	21.8
172.04033	29.2
173.04823	14.2
174.05508	2.8
180.14774	0.8
186.05603	1.3
188.07213	1.6
189.06683	100.0
202.90060	0.7
215.04590	8.8
216.05518	1.0
249.79597	0.7
258.28488	0.7
268.50476	0.7
279.30469	0.6
335.10391	80.1
336.10611	0.8
349.65640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60953	2.2
58.00589	2.5
59.01389	82.2
61.98820	2.0
71.01382	38.3
72.99290	3.1
75.10188	1.6
78.95915	2.4
83.01399	3.0
85.02928	8.0
89.02443	35.6
93.03469	2.5
95.01389	2.5
96.96011	4.4
101.02445	23.0
113.02446	18.5
114.05577	4.5
116.92826	3.2
119.03465	18.9
137.02417	4.3
146.06039	1.8
155.07149	7.8
173.08177	3.3
173.92140	1.8
202.14644	1.8
225.24419	1.7
335.13477	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	335.1405
Annotation	21-Oxogelsemine
Peak:m/z	Relative Intensity
51.13326	0.2
54.82809	0.2
54.83068	0.2
62.76608	0.2
67.89859	0.2
72.09932	0.3
88.47466	0.2
96.96028	0.2
117.03484	0.3
132.45520	0.2
133.02956	1.2
134.03734	14.6
135.04524	13.2
135.05577	0.5
136.04022	1.0
137.02454	0.4
142.06595	0.6
147.03339	0.3
147.04527	9.6
148.05312	100.0
149.06085	9.2
150.03297	0.8
154.84372	0.3
156.06952	3.7
159.09279	8.3
160.01620	2.6
160.03951	0.4
161.02463	1.1
162.03206	0.4
162.05583	0.9
163.04001	0.3
175.02734	0.4
175.04013	4.5
176.03510	2.1
177.04361	0.4
178.05103	19.9
190.05106	26.5
191.05882	0.3
192.06671	0.3
194.02046	0.3
194.21284	0.3
262.08804	0.2
276.10284	1.3
279.86334	0.3
319.10959	0.4
320.07965	0.4
320.11703	11.7
335.14063	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26076	0.4
61.98829	0.7
64.34717	0.4
81.07056	0.5
82.05648	0.5
126.52835	0.5
134.03734	16.5
135.04520	16.0
147.04533	8.3
148.05309	100.0
149.06071	11.7
150.03206	0.9
156.06938	3.4
158.89120	0.5
159.09273	7.4
160.01656	3.2
161.02397	0.9
162.05620	0.8
175.03973	5.7
176.03539	2.2
178.05106	22.9
190.05098	28.5
192.06673	0.7
206.15434	0.5
209.32875	0.5
276.10266	1.9
320.11700	9.9
335.14047	75.3
335.22305	12.4
336.14288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	18.1
59.29829	0.4
80.86472	0.3
108.52648	0.3
140.16519	0.3
157.09895	0.4
191.28770	0.3
203.45601	0.3
253.21732	100.0
254.22003	3.1
335.22079	19.3
336.22098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2232
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
56.76045	0.2
59.01392	0.3
61.23279	0.2
61.98833	0.3
63.26929	0.3
69.78043	0.2
76.75179	0.2
78.95897	0.3
81.74828	0.3
87.00716	0.3
107.79678	0.3
148.05309	1.5
190.03246	0.3
205.16110	0.3
335.22314	100.0
336.22693	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	336.1092
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
52.72638	0.5
59.01366	0.8
61.98866	0.6
71.01379	1.2
76.99652	0.6
85.02950	2.9
87.00883	3.3
94.04020	0.7
101.02428	0.7
106.13800	0.6
128.05037	4.1
130.06616	52.4
138.22916	0.6
146.06131	19.5
152.32445	0.6
156.04587	3.9
161.04530	3.6
174.05608	100.0
179.05656	1.4
209.49255	0.7
228.43510	0.9
235.21913	0.8
274.30899	0.7
333.54211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1091
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
51.02344	0.5
57.18737	0.5
59.01393	1.2
59.74901	0.5
60.09592	0.7
61.98835	1.4
62.05061	0.5
63.88601	0.6
71.01367	1.2
82.95400	0.9
85.02952	3.5
87.00859	4.8
99.00887	0.8
111.00895	5.0
111.17116	0.7
117.01904	0.7
119.05008	3.5
128.05077	3.5
130.06615	59.9
134.03181	0.7
145.49248	0.7
146.06111	15.0
156.04558	4.2
161.04587	2.9
163.04018	3.6
172.04079	0.7
174.05600	100.0
179.05620	3.0
182.51880	0.7
191.05687	2.8
359.72565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98681	1.1
59.01378	5.4
67.01881	2.1
71.01363	2.4
72.99311	1.2
73.80908	1.0
78.95897	2.7
82.95414	66.2
84.95103	9.3
85.02950	8.4
87.00832	1.6
93.03432	7.2
96.96955	1.3
97.32433	1.0
98.95586	2.4
111.00879	26.3
111.04533	1.5
117.00159	1.3
119.05003	6.3
125.36903	1.1
128.05052	2.3
130.06610	50.0
133.02933	1.8
135.04491	4.7
136.04836	6.0
146.06117	9.2
154.99838	2.1
161.02446	6.9
162.02788	10.0
162.50288	1.2
163.04016	7.1
173.00946	2.3
173.04535	22.9
174.05602	100.0
177.04494	1.3
179.05653	1.2
253.07158	4.7
254.07555	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	336.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02575	1.0
58.86632	1.0
61.98829	15.0
63.18501	1.1
63.63313	1.1
63.88499	1.4
66.59550	1.2
70.56059	1.2
71.80917	1.2
89.14117	1.2
93.03417	1.6
121.02924	29.0
123.04480	5.7
126.09197	2.9
132.02182	2.4
133.32144	1.4
147.04572	5.5
149.02428	100.0
150.03189	9.3
151.03938	16.4
164.04782	48.5
165.05540	11.1
166.06354	9.2
177.01906	46.6
179.03500	2.0
179.07053	10.5
187.18736	1.5
191.03497	3.2
192.04289	10.5
205.03658	4.7
207.03041	2.5
207.06639	19.4
220.06131	2.4
224.03329	5.9
227.67166	1.4
234.11230	12.2
249.13693	5.6
262.10834	8.1
264.15955	3.2
277.13138	2.4
292.15521	52.9
309.93256	1.4
336.14520	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2549
Annotation	Linoleoyl glycine
Peak:m/z	Relative Intensity
54.82604	0.2
59.01373	0.4
61.18200	0.2
72.04539	3.1
74.02471	100.0
84.04521	0.4
130.68228	0.2
163.88730	0.2
292.26501	0.4
336.25482	44.9
337.25821	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01916	0.2
56.23299	0.2
59.01389	26.6
61.98826	1.4
67.01899	3.8
71.01365	0.3
72.99307	4.3
73.78551	0.2
79.17751	0.2
82.95424	7.7
83.01391	4.3
84.95110	1.3
85.02953	17.7
93.03514	0.3
99.00893	1.1
101.02435	2.1
108.68810	0.2
111.00885	100.0
112.01244	0.3
119.05022	5.1
121.11835	0.3
129.01949	3.1
131.03468	0.3
149.04520	0.3
154.99884	12.1
163.04016	4.6
173.00917	19.4
173.04523	1.3
191.05637	0.3
197.94470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46261	1.0
53.43150	0.9
55.01873	1.0
56.50853	0.9
57.03459	13.6
59.01116	1.1
59.01390	23.3
71.01379	14.1
72.99323	9.4
75.00865	10.2
78.95889	6.2
79.93557	1.1
83.01385	1.6
84.02173	1.1
85.02948	100.0
87.00884	3.8
87.04510	62.9
89.02438	2.4
95.01385	1.3
96.95979	4.8
99.00845	5.0
111.00877	8.2
113.02428	9.7
117.03442	7.6
119.05005	4.2
119.89783	1.0
129.01894	1.3
137.02420	0.9
145.02950	23.6
146.10408	1.0
147.03000	42.1
163.04021	4.7
175.02386	1.3
175.09717	2.1
194.93736	1.4
194.95535	1.0
216.90955	1.5
249.06114	7.6
252.76376	1.0
276.93887	1.3
333.00565	1.1
337.11505	33.2
337.15173	5.5
348.05371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
56.06049	1.2
59.01383	100.0
61.98825	9.1
84.66397	1.5
85.02936	7.1
87.00863	1.6
90.16348	1.4
91.88522	1.6
93.03477	1.5
104.10008	1.7
111.00845	6.7
117.03453	16.4
119.05010	43.2
127.13185	2.0
131.03471	13.2
145.02943	69.5
163.03993	46.9
165.88278	1.5
187.38087	1.8
191.05595	23.4
277.07159	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03437	0.3
59.01391	1.6
60.23377	0.3
70.18893	0.3
71.01393	0.6
78.95950	0.4
83.05038	0.6
85.02919	2.5
93.03435	3.9
96.96009	0.4
111.00887	1.3
111.04523	3.8
114.37572	0.3
119.05018	71.4
127.04044	0.5
129.01868	0.4
145.02968	0.7
151.03981	0.4
155.03520	2.9
163.04007	100.0
167.53189	0.3
173.04518	3.8
186.95007	0.3
191.02031	0.5
191.05614	10.5
311.55255	0.3
337.09399	3.2
337.14944	1.3
347.01859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.21101	0.5
57.03456	0.7
59.01384	25.1
59.08284	0.6
61.98825	1.0
69.03442	3.5
71.01378	4.3
72.99287	0.7
85.02944	3.8
93.03432	1.4
101.02423	3.5
111.00873	4.9
113.02453	1.6
117.03461	9.6
119.05016	100.0
120.05402	0.6
128.03526	0.8
131.03496	33.0
133.02998	1.2
145.02956	34.6
149.04546	28.0
162.05676	1.1
163.04010	97.8
173.00952	0.7
191.05621	17.6
233.08151	1.1
277.07111	3.3
290.93256	0.7
291.45258	0.7
292.71439	0.6
295.08203	4.1
337.09296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03460	2.8
58.29738	0.4
59.01390	100.0
59.30564	0.4
71.01388	22.2
72.99301	0.6
73.02956	6.1
74.77390	0.5
75.00863	0.6
78.95882	1.6
83.01388	4.0
85.02958	11.9
87.00912	0.7
87.04534	3.1
88.04022	0.6
89.02431	4.6
92.11725	1.0
95.01423	2.5
96.96003	8.6
99.00882	3.0
99.92597	1.2
101.02441	19.7
101.03078	0.9
111.00922	0.6
113.02455	7.7
116.92867	0.8
117.92951	0.5
119.03461	1.1
137.02466	0.6
143.03494	1.0
147.03111	0.5
159.03059	1.0
161.04582	9.6
190.40096	0.5
204.48859	0.5
251.11395	24.8
251.13965	0.8
262.66135	0.6
280.31171	0.5
283.01556	0.8
293.12488	2.2
299.07892	0.5
337.11606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02340	0.7
54.43851	0.7
55.01881	1.0
57.03453	1.6
58.00606	3.0
59.01389	100.0
64.66603	0.6
65.43977	0.7
71.01387	40.1
72.99298	4.4
73.02942	1.2
75.24352	0.8
82.35735	0.7
83.01382	1.5
85.02951	12.3
87.11734	0.8
89.02441	40.9
92.95628	0.8
95.01364	3.8
101.02438	24.5
102.21037	0.7
111.00886	7.3
113.02433	15.4
119.03477	16.7
138.56186	0.9
154.99846	1.2
161.04625	0.9
179.05609	1.4
195.38701	0.8
290.35364	0.8
305.05893	0.8
337.15063	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82134	0.9
55.01867	1.1
58.00602	1.5
59.01389	94.5
67.85170	0.7
67.85591	0.8
71.01385	42.8
71.04990	1.3
72.99296	4.8
83.01385	4.9
85.02945	18.1
87.00886	1.4
89.02443	42.4
95.01376	3.8
96.96005	8.5
101.02431	25.7
111.00880	36.8
113.02453	16.7
113.09734	1.3
119.03498	14.9
119.05013	1.1
120.99670	1.1
131.03535	0.8
140.46281	0.8
143.03455	1.5
146.08220	3.4
153.29433	0.8
154.99899	4.2
156.06720	3.8
157.07025	1.2
161.04523	1.1
163.03992	1.2
173.00925	7.7
179.05595	1.0
277.12201	1.7
337.15109	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	337.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	2.6
59.01385	57.6
61.98803	2.4
64.13673	2.3
74.02453	4.0
100.30423	1.9
119.13522	2.0
255.23308	14.2
277.21719	39.6
295.22833	4.5
305.21191	8.6
337.23871	100.0
337.27151	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	337.3118
Annotation	13(Z)-Docosenoic Acid
Peak:m/z	Relative Intensity
56.47318	0.7
59.01385	8.5
59.71973	0.6
60.04493	0.7
79.95216	0.8
96.95956	1.0
105.14294	0.8
123.65745	0.8
150.23029	0.8
215.57195	0.7
254.24159	0.8
255.23323	34.1
256.23383	1.4
337.23770	6.0
337.31165	100.0
338.31537	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	338.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18312	0.8
59.01384	1.3
61.98844	0.8
63.40499	0.8
67.93334	0.8
92.11712	2.0
92.59287	0.9
125.09782	0.9
171.10269	27.0
177.45918	0.9
183.01201	18.1
184.01990	3.7
197.02884	1.0
216.01045	1.8
254.63055	0.8
272.43524	0.9
277.21738	39.3
295.22787	100.0
314.95837	0.9
339.15970	1.8
339.19992	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2701
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
54.82528	0.7
56.96698	0.6
59.01371	1.7
61.98831	1.0
62.21276	0.6
63.56723	0.6
64.34373	0.8
70.19624	0.6
71.20920	0.6
71.95670	0.8
72.04538	1.6
74.02467	100.0
84.04522	0.9
104.33531	0.7
109.77190	0.8
116.92829	3.0
131.16927	0.7
140.82353	0.7
148.70558	0.7
163.11281	51.9
176.34726	0.7
183.01202	4.3
258.48087	0.7
265.21674	5.8
277.21796	1.5
278.22055	7.1
279.23294	1.0
338.27002	55.2
339.19788	4.8
339.23288	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	339.12
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66762	1.6
59.01390	53.5
60.29181	1.5
63.99359	1.7
67.78712	1.6
71.01383	8.1
72.99300	2.6
78.95921	8.0
84.83309	1.6
89.02435	3.5
96.96007	4.3
101.02424	2.3
102.23570	1.6
102.31794	2.2
158.04848	13.8
159.05647	68.8
167.99991	1.8
173.07195	43.4
176.47508	2.1
177.06708	35.2
191.08247	48.5
205.06207	100.0
219.07756	48.4
219.11116	2.3
279.23282	43.8
279.85611	7.3
303.14725	2.2
339.08130	3.0
339.11954	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.7
61.98827	0.5
64.23080	0.3
66.41103	0.4
68.34254	0.4
71.01402	0.6
71.05017	1.7
73.58217	0.3
79.95673	0.3
94.40202	0.4
96.96004	100.0
101.06085	0.6
141.12865	2.8
167.07181	0.5
180.73259	0.4
213.18576	1.6
257.17654	0.4
259.19141	10.0
279.23306	5.9
308.67267	0.4
339.14871	49.6
340.15329	0.5
352.66895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2333
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
91.20881	0.1
94.48462	0.1
107.05032	0.2
124.64613	0.1
147.08052	0.2
159.69762	0.1
163.11281	100.0
339.23315	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92606	0.4
58.04533	0.4
59.01380	0.8
59.42529	0.5
61.98843	0.5
65.19121	0.5
66.53922	0.4
80.70429	0.4
87.02247	0.5
92.65646	0.5
96.97934	0.5
101.07234	0.5
106.04225	0.8
107.05022	0.7
116.92836	2.8
119.05060	0.6
163.11290	69.7
164.11618	0.7
175.11253	0.7
176.12086	0.7
177.12883	4.4
183.01204	9.4
184.01830	0.7
190.09914	0.7
208.11058	4.8
267.13760	1.0
269.24435	0.5
277.21722	0.8
278.21884	0.9
279.22836	3.6
281.15387	0.7
282.16339	4.9
283.17004	6.1
288.31708	0.6
339.19934	11.7
339.23358	100.0
340.20148	0.8
340.23691	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	339.233
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.67638	0.3
59.01159	0.2
59.01379	3.6
63.78580	0.3
64.39708	0.3
78.12652	0.3
79.95676	0.4
88.91737	0.3
96.30988	0.3
116.92883	1.0
144.04439	0.3
160.10870	0.3
161.63452	0.3
163.11278	100.0
164.11620	2.2
183.01218	5.7
279.23328	2.5
297.24249	0.7
333.45532	0.3
339.19913	6.5
339.23380	32.8
340.23682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.5
84.52829	0.2
101.30195	0.2
111.99625	0.2
163.11255	0.4
183.01202	1.5
206.12364	0.2
210.30003	0.2
245.33679	0.2
261.22369	0.3
279.23306	100.0
280.23627	3.3
332.91443	0.2
339.19995	2.2
354.61139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82611	0.7
55.04149	0.6
58.10806	0.6
59.01384	100.0
72.73933	0.6
79.95747	0.6
89.14946	0.6
119.05013	1.2
145.99887	0.7
170.00409	1.2
183.01205	40.2
197.02760	5.9
200.35382	0.7
204.85310	0.7
223.54533	0.8
239.07639	0.8
275.23853	0.8
279.23285	9.6
297.24356	58.3
320.34402	0.7
339.19995	64.1
339.25391	21.9
340.20380	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	340.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.3
61.98831	100.0
63.65485	0.2
75.00864	0.3
86.31491	0.3
107.37920	0.3
134.03743	0.6
145.02968	1.2
165.45621	0.3
193.05124	0.3
200.55101	0.4
201.99806	0.4
279.23462	1.2
280.23608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
61.98835	100.0
71.01360	0.4
87.01009	0.3
87.31676	0.3
87.91875	0.3
135.04556	0.4
167.91977	0.3
179.03513	0.4
235.98004	0.4
253.99094	0.3
258.77524	0.3
279.23416	0.6
279.96988	1.9
288.05838	0.3
296.09006	0.3
357.12695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98817	3.5
62.62262	0.8
71.01363	1.5
89.02448	3.0
92.12352	1.0
96.95988	1.3
98.95563	1.4
99.94943	0.8
101.02401	0.9
118.32574	0.8
134.04716	28.8
135.04491	1.5
161.02446	3.2
179.03531	1.0
196.77971	0.9
279.23288	3.6
279.85782	1.6
280.10522	20.5
280.23843	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98829	4.3
71.01376	4.0
78.36070	0.8
85.06987	0.8
89.02427	3.4
95.20477	0.9
96.96020	1.4
116.43322	1.0
116.92823	0.9
117.90297	1.0
133.02962	1.9
134.04716	33.0
135.04514	1.9
161.02486	3.9
179.03430	1.9
214.81479	1.0
233.04477	1.2
279.23282	4.1
279.85632	1.3
280.10532	22.1
280.23740	3.5
316.57498	1.0
333.82019	0.9
341.08521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	0.6
59.01387	1.3
65.34199	0.2
71.01374	0.3
79.05516	0.5
90.77266	0.3
93.49693	0.3
128.10812	3.9
130.08730	100.0
131.09047	1.5
147.11731	0.3
154.12444	0.3
191.08278	0.3
203.27409	0.3
253.74319	0.3
260.20126	0.5
279.23236	0.5
280.23672	1.1
281.14163	0.3
322.19879	0.4
340.21323	40.3
341.21835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09783	0.2
57.91499	0.3
64.29877	0.3
70.96714	0.2
74.33875	0.2
103.45213	0.3
109.42460	0.2
119.71038	0.3
147.08148	0.3
163.11285	100.0
164.11610	68.4
339.23325	17.8
340.23657	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80651	0.7
59.01384	1.4
61.98827	1.3
69.42845	0.6
69.54388	0.6
74.71337	0.6
77.01003	0.7
78.96572	0.7
82.76218	0.6
114.39615	0.9
116.92802	0.7
132.92093	0.8
155.10808	4.1
156.25693	0.7
163.11220	0.7
171.10272	4.8
183.01212	3.0
184.01541	1.0
186.50122	0.8
279.23318	8.7
297.24365	100.0
298.24738	2.6
340.20370	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	340.2858
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
58.02991	0.6
61.96181	0.4
61.98835	2.4
67.49234	0.5
82.02952	0.9
84.04546	8.3
85.02926	0.6
87.54604	0.5
88.34001	0.5
92.11754	1.6
92.64627	0.5
100.07681	2.0
102.05596	78.2
104.73124	0.5
146.39627	0.5
163.11273	2.3
164.11584	2.2
167.74431	0.5
237.22281	2.4
254.24937	8.3
294.28027	5.4
296.29596	32.4
297.29520	0.8
298.23807	0.9
322.27621	4.5
340.20178	3.1
340.28574	100.0
341.28915	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
58.02966	1.8
59.01387	11.7
59.13023	0.4
61.98829	1.0
62.84678	0.4
63.96230	0.5
64.97007	0.8
69.96419	0.4
70.02967	5.1
71.01382	6.9
71.05015	8.0
72.99286	0.9
78.95889	0.6
85.02916	0.5
87.00847	0.6
87.05611	4.0
89.02433	6.9
95.93436	31.0
96.94226	9.8
96.95987	0.8
98.95566	0.5
99.04491	3.1
101.02402	3.0
102.05646	0.5
103.91993	0.9
112.25871	0.5
113.02421	1.2
114.05537	0.7
115.05096	4.8
116.07159	1.0
119.03473	2.3
119.05007	1.1
122.95772	3.2
123.26856	0.5
130.03305	2.2
133.02983	0.9
135.04500	2.8
139.98457	7.8
143.71945	0.6
146.08226	25.8
153.00786	0.5
161.02429	3.2
179.03534	1.2
179.05632	2.3
211.02167	8.9
217.11923	0.6
233.04552	0.7
239.01732	4.3
247.29741	0.5
281.24838	4.3
341.08456	100.0
342.08746	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	341.0882
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.84291	1.0
51.04675	1.1
51.99618	1.3
52.09491	1.0
58.00593	2.3
59.01395	84.2
60.01727	1.4
61.98844	2.1
71.01393	40.1
72.99297	1.5
73.02949	1.7
75.00845	1.4
75.11029	1.4
78.95885	1.7
79.42169	1.3
83.01398	2.2
85.02956	6.0
89.02451	42.9
95.01411	1.7
96.96022	3.3
101.02426	16.1
103.92040	1.9
107.05019	1.5
108.25006	1.3
109.02943	5.6
113.01770	1.4
113.02439	11.4
119.03489	6.7
119.04980	3.0
124.04026	2.0
124.94803	1.4
126.36092	1.2
133.02962	33.6
134.03783	2.2
134.04712	2.8
135.04507	61.3
145.02907	1.9
145.14224	1.4
148.05316	5.6
149.06093	3.3
161.02446	100.0
161.04562	4.5
161.08235	1.6
163.04027	6.0
177.05586	5.9
179.03500	45.9
179.05566	5.5
180.03023	2.7
189.05577	3.0
205.05072	4.9
207.06595	13.2
233.04555	25.6
251.05620	16.4
267.49292	1.3
280.10608	1.9
280.23792	1.7
281.24829	18.7
341.08817	6.5
341.10956	9.5
359.86597	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	341.0878
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01884	1.5
56.80642	0.9
58.38197	0.8
59.01384	29.1
61.69521	0.8
61.98824	2.2
65.74693	0.8
70.02965	1.1
71.01383	16.0
78.04646	0.8
83.01369	3.7
85.02943	5.6
89.02445	16.0
96.00928	1.9
96.95982	5.6
99.00870	1.4
101.02447	6.7
113.02435	5.3
113.03591	1.1
114.01971	2.1
115.03977	1.3
119.03516	6.9
119.04955	2.1
124.01664	1.0
131.04628	1.4
133.02946	40.2
135.04535	13.8
145.02957	1.8
161.02443	100.0
163.03969	1.5
171.55547	0.9
177.05527	1.7
179.03499	16.0
179.05545	4.1
198.89728	0.9
203.03508	1.6
276.58069	0.9
280.23666	1.8
281.24866	13.7
305.15884	2.0
341.08218	9.9
341.17194	5.1
344.34872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52399	0.6
55.01862	1.2
57.03432	2.6
58.00578	1.5
59.01384	100.0
60.99281	1.2
67.11211	0.6
67.28803	0.8
69.34518	0.7
71.01380	52.6
71.04993	2.8
72.99281	1.2
73.02895	3.8
83.01345	4.2
85.02942	12.7
87.00822	3.5
87.04475	0.8
88.03999	0.9
88.98806	9.4
89.02433	56.4
95.01336	3.4
96.95954	1.4
99.00854	0.9
101.02429	27.6
112.05244	0.6
113.02452	20.0
117.01887	1.0
117.03701	0.7
119.03497	19.3
131.96863	0.7
133.62935	0.6
143.03439	1.6
159.02937	0.7
161.04581	6.3
179.05635	8.5
249.09845	0.9
281.24966	0.8
323.43280	0.7
341.08948	55.7
342.09192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.5
60.32376	0.2
61.98841	100.0
71.01390	1.3
89.02449	1.1
96.96032	0.3
106.95035	0.2
109.87024	0.2
113.02476	0.3
116.07199	0.3
134.03740	3.5
135.04582	0.4
137.02444	0.3
149.06084	4.6
161.02463	0.3
161.06122	0.4
176.03584	0.3
179.05580	0.3
190.05168	0.4
194.02127	0.2
204.06754	1.4
281.14090	0.5
281.24863	3.1
289.12003	4.6
290.12680	2.3
305.11685	0.5
305.15094	7.9
305.18332	0.4
341.11163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65458	0.8
57.03447	1.1
58.00613	1.4
59.01387	100.0
71.01382	57.0
72.99296	2.3
83.01382	4.5
85.02950	10.6
87.00821	1.4
89.02441	67.7
95.01371	2.3
99.22132	0.9
101.01852	1.5
101.02441	26.3
113.02467	17.7
119.03484	18.7
131.03482	1.4
135.85141	0.9
143.03441	1.3
149.04654	1.3
161.04573	5.1
164.26622	1.1
179.04150	1.4
179.05618	22.3
249.83624	1.0
280.59360	1.0
306.01056	1.0
341.10934	33.3
354.78378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66995	0.9
57.03450	2.5
58.00610	1.2
59.01397	100.0
71.01392	59.6
72.99297	1.4
73.02948	2.4
79.17872	0.9
83.01371	1.3
85.02947	9.5
87.00855	5.9
87.67896	1.0
89.02444	71.1
101.02440	26.7
101.97034	1.1
113.02452	20.0
119.03495	23.7
124.53157	1.0
131.03448	1.2
143.03465	3.9
149.04576	1.8
161.04568	9.2
162.28494	1.1
167.40666	0.9
179.05624	22.0
199.16046	1.1
213.78317	1.2
232.93417	1.0
318.72879	1.1
341.11029	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.48084	0.6
57.03445	0.7
58.00600	3.8
59.01388	100.0
70.56472	0.5
70.80530	0.5
71.01383	59.0
72.99304	3.1
79.05541	0.8
85.02946	5.3
87.00864	0.9
89.02440	81.7
92.12405	1.5
101.02445	6.3
113.02457	6.0
119.03493	2.6
131.03487	7.2
149.04538	11.6
179.05756	0.7
190.02786	1.1
191.10803	9.0
281.24838	4.7
341.16077	15.6
341.19928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44497	0.9
51.71757	0.9
58.51415	1.0
58.67699	1.0
59.01378	7.2
61.98806	1.0
67.70731	1.0
68.39782	1.0
71.01390	1.9
85.72773	1.0
89.02432	2.3
124.50520	1.1
137.09691	2.8
141.09210	63.7
145.08707	1.8
155.10767	52.4
169.12347	5.2
171.10248	19.7
199.09750	10.9
213.11401	1.5
217.10811	100.0
218.11143	1.8
266.66141	1.2
281.24823	19.1
341.19543	6.2
341.23380	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65180	0.7
59.01384	4.5
75.20119	0.7
79.06051	0.7
89.02452	1.6
97.06595	0.9
99.08154	14.0
106.51111	0.9
127.07656	1.0
145.08704	41.6
147.75531	0.7
151.11281	10.4
169.12343	100.0
170.12758	1.0
194.37418	0.8
213.11343	62.5
214.11664	1.1
217.10767	1.1
252.85893	0.7
281.24841	9.5
341.19772	10.3
341.23459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63742	0.3
53.51199	0.4
53.64330	0.3
55.05742	0.3
59.01382	2.1
67.02992	0.4
69.03448	2.5
71.01383	0.6
83.05004	1.9
84.02180	2.7
84.02596	0.5
92.12365	0.9
92.37523	0.4
97.02940	0.8
97.06577	15.4
99.04488	1.5
99.19125	0.4
111.08118	0.6
119.08672	0.5
121.10294	0.5
122.74148	0.4
125.09698	1.8
137.09721	1.5
149.13368	1.5
151.11221	0.6
165.12881	1.7
171.10274	10.8
175.11307	1.7
177.12909	0.4
183.11736	0.4
183.19408	0.4
185.10226	0.3
193.12326	19.2
197.15395	0.4
211.13419	3.3
221.11859	1.4
225.14975	26.5
243.16026	9.8
245.11830	1.5
253.14447	1.5
281.24878	2.5
291.19562	0.6
295.92523	0.4
301.25888	0.4
324.61279	0.4
341.23343	100.0
342.23453	0.5
358.05716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3063
Annotation	21-hydroxy-heneicosanoic acid
Peak:m/z	Relative Intensity
59.01376	3.0
61.98833	1.7
67.64989	1.2
80.44782	1.4
94.17803	1.4
116.92860	3.1
161.06104	1.3
178.09543	1.3
267.27026	1.5
281.24835	29.2
293.28452	2.7
295.30042	78.8
341.19479	1.7
341.30597	100.0
342.30981	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	342.0834
Annotation	SCHEMBL912900
Peak:m/z	Relative Intensity
55.20829	1.2
56.73085	1.0
59.01385	12.9
61.98834	26.1
71.01365	8.4
78.95912	1.6
80.87723	1.3
82.77516	1.2
89.02442	7.1
90.03490	13.1
96.95972	2.3
101.02416	1.4
103.92026	2.2
108.04551	35.5
118.02985	2.1
122.02466	1.6
124.04033	100.0
124.53424	1.3
125.52813	1.4
133.02985	1.4
134.02472	18.1
152.03519	27.8
161.02444	1.6
161.04576	2.1
162.01936	11.8
163.03992	2.0
180.03024	95.5
234.88875	1.3
281.24921	6.4
282.03091	1.5
282.25070	2.0
342.08212	16.0
362.23074	1.4
364.55045	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	342.2652
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
57.03457	4.0
58.54701	0.5
59.01373	1.0
60.99305	3.8
61.98824	0.7
64.60100	0.5
72.00899	2.4
74.02469	100.0
83.04979	0.6
84.04537	0.6
102.75613	0.5
103.88055	0.5
104.03532	18.2
116.92873	2.2
127.65737	0.6
129.91374	0.5
179.91016	0.5
235.20734	1.0
237.22227	18.0
253.25346	3.4
255.23288	1.0
266.24915	7.7
268.26431	6.0
280.26453	32.7
281.21289	1.3
282.16953	0.5
294.21100	0.8
294.24396	25.7
312.25476	38.4
342.26505	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41881	0.1
59.01388	100.0
60.01723	0.2
61.98836	0.2
63.21113	0.1
70.66142	0.1
81.90428	0.1
91.30057	0.1
115.02499	0.6
116.87539	0.1
116.92830	0.2
117.00426	0.4
136.93996	0.3
157.02571	0.1
157.03546	5.2
159.01479	6.8
178.95015	0.9
178.97777	0.1
201.02550	75.1
202.02728	1.0
260.95334	0.1
283.26334	0.2
308.00089	0.1
323.61316	0.1
343.03738	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61405	0.4
54.82728	0.5
58.99633	0.5
59.01390	3.0
60.03740	0.4
60.99322	18.0
68.97286	0.5
72.99326	1.8
78.95899	1.2
88.98808	100.0
89.02435	0.6
96.95995	0.6
96.96963	2.6
102.98599	2.6
103.19455	0.5
116.07204	0.6
119.42651	0.5
130.81239	0.5
135.04512	1.2
146.89577	0.5
150.12097	0.5
161.02472	2.2
165.08742	0.5
167.23566	0.6
247.69194	0.5
253.07185	4.6
283.26410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	3',4',5'-O-Trimethyltricetin
Peak:m/z	Relative Intensity
51.53142	1.8
57.03441	2.4
58.00609	1.9
59.01387	16.1
62.09189	1.6
69.03438	2.6
71.01369	2.0
72.88054	1.8
73.02936	2.6
81.03458	2.3
83.05030	2.4
92.65370	1.9
97.06564	3.2
115.07637	4.4
121.02935	2.1
123.08159	2.3
125.09721	14.2
129.09195	11.7
131.20056	1.9
137.09698	4.2
141.09222	7.8
149.09700	2.8
151.11278	12.0
155.10820	2.3
171.10269	28.5
185.11905	3.8
201.11343	24.0
202.02788	4.7
209.11798	9.3
213.11337	18.9
214.02724	2.9
226.02806	15.8
227.12885	10.3
242.02249	4.3
243.12405	2.1
249.15012	12.0
270.01712	29.0
274.09073	2.8
281.04471	2.7
282.05392	2.4
283.26517	7.5
284.03323	2.5
285.04077	67.1
289.18085	2.6
299.05627	3.5
307.19174	27.3
309.04013	3.8
313.03580	100.0
325.20160	12.8
327.05191	15.7
328.05872	36.1
343.08228	97.1
343.17526	2.4
343.21341	10.9
344.08551	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	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25586	0.3
59.01386	100.0
61.98844	0.7
66.38900	0.3
71.01389	3.4
73.02953	0.3
79.36420	0.3
85.02956	0.5
89.02438	5.1
92.11773	0.6
96.96018	1.4
101.02444	1.5
113.02470	1.3
119.03541	0.6
131.47214	0.3
137.02466	0.4
145.08745	0.4
160.47937	0.3
162.88513	0.3
179.05667	0.6
199.08817	0.3
201.02597	1.2
283.26550	0.7
338.47922	0.3
343.09433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
58.00610	3.3
59.01384	100.0
65.85842	0.3
71.01379	60.2
72.99308	3.1
73.06803	0.4
76.27499	0.4
83.03351	0.4
83.43100	0.3
83.95667	0.3
83.97790	0.4
85.02936	6.9
87.00853	0.4
88.20232	0.4
89.02435	79.7
92.12487	0.7
101.02429	4.3
113.02448	5.5
119.03482	2.3
121.64528	0.4
125.94063	0.4
131.03473	8.4
149.04544	14.5
175.11249	0.6
193.12312	7.7
215.65524	0.4
255.42552	0.4
278.24060	0.4
284.06497	0.5
311.56778	0.4
343.13449	0.6
343.17664	16.9
343.21353	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	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
58.00600	3.1
59.01385	2.3
65.47877	0.4
66.51225	0.4
67.83141	0.4
73.02931	0.8
74.04845	0.3
77.11541	0.3
81.03472	3.7
81.03864	0.4
83.05030	14.4
84.57339	0.4
88.41486	0.4
97.06583	0.6
99.08163	2.7
101.06084	0.9
111.08178	0.5
112.80106	0.5
115.07643	7.3
121.10200	2.0
125.09710	6.9
127.11286	12.3
129.09212	2.0
137.09732	2.1
139.11288	9.0
145.05077	2.2
151.11333	0.7
153.09244	0.4
155.10779	4.9
165.09219	3.5
165.12901	0.6
171.10280	28.1
181.12444	0.8
183.10297	0.7
183.13855	2.4
199.09807	3.8
201.11348	55.0
209.11783	0.8
211.13435	2.0
213.15033	2.0
215.16527	4.8
227.12933	7.6
255.17429	0.4
275.20233	3.9
283.26431	1.7
293.21274	2.2
307.22800	0.8
311.22351	4.4
325.23715	0.4
343.21338	7.5
343.24936	100.0
344.25235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.4
59.01380	3.8
76.06036	0.8
76.45477	0.7
83.05041	0.9
95.05047	0.8
97.06577	12.7
123.08123	6.6
125.09705	100.0
126.10092	0.7
127.11316	1.2
143.10760	1.6
167.51909	0.8
169.08688	1.6
171.10219	1.5
173.11792	2.9
187.09744	88.9
188.10114	0.9
197.56837	0.8
201.11314	1.8
283.26315	1.8
343.21188	5.7
343.24890	7.7
343.33661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
58.00588	2.7
59.01376	0.9
69.54369	0.3
83.05009	2.1
83.66006	0.4
99.08136	0.6
103.43949	0.4
115.07629	0.7
121.10252	1.4
123.08185	0.6
125.09697	6.4
127.11270	13.0
127.12226	0.5
129.09189	0.4
137.09683	2.2
139.11278	8.7
155.10780	4.0
157.12250	0.8
165.09171	4.0
167.03323	0.4
171.10262	25.8
183.10248	1.6
199.09775	3.4
201.11331	54.2
210.77229	0.4
211.13316	1.4
214.99982	0.4
215.16420	0.4
275.20145	4.9
293.21216	4.0
311.22284	4.9
318.92331	0.4
328.34271	0.4
343.24905	100.0
344.25385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71190	0.6
57.03438	1.4
58.00599	1.6
59.01377	3.6
64.56150	0.8
121.10233	1.3
125.09731	9.1
127.11293	14.2
129.09229	5.9
130.26860	0.8
137.09724	1.6
139.11299	12.3
151.11304	1.4
155.10800	5.0
157.12314	1.5
165.09227	5.1
169.12355	4.7
171.08815	1.4
171.10269	34.1
183.10313	3.0
199.09816	3.9
201.11342	69.4
215.25406	0.8
223.33607	0.8
250.01898	0.7
262.90540	0.8
273.06961	0.8
275.20255	6.6
283.26547	1.0
293.21173	6.2
307.22888	0.8
311.22327	8.1
315.82980	0.7
326.43268	0.8
343.24936	100.0
344.25403	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	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67700	0.4
58.00585	2.8
59.01369	1.8
63.92950	0.4
65.32038	0.4
92.12356	0.6
99.08147	17.5
114.39016	0.5
123.16176	0.4
127.07644	3.5
129.09209	17.6
148.28969	0.5
153.12840	0.7
164.97034	0.4
181.12352	12.1
183.13930	2.1
193.12392	4.3
211.13414	14.2
213.12921	0.9
213.14967	26.4
231.21265	0.6
275.20197	2.4
283.26535	0.6
293.21237	2.7
310.70370	0.4
311.22479	3.4
325.23849	0.6
332.98755	0.5
343.24921	100.0
344.25159	1.9
364.17474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38513	0.6
58.00587	1.6
59.01367	5.3
78.95918	0.7
83.48679	0.7
95.33005	0.6
97.06535	0.8
99.08143	14.9
113.68893	0.7
115.07642	2.8
124.33328	0.7
124.83470	0.7
125.09699	3.0
127.07635	1.6
127.11286	1.6
129.09221	12.8
131.84889	0.6
137.09708	1.5
139.11298	0.7
142.38785	0.6
151.11342	0.9
155.10728	0.9
171.10277	5.2
181.12354	10.4
183.13905	3.5
193.12332	2.7
201.11343	12.7
211.13416	10.9
213.14955	24.2
223.13474	3.1
231.21048	0.7
275.20212	1.6
283.26505	2.6
293.21259	3.3
307.19110	5.1
311.22348	4.7
325.23825	0.9
343.24899	100.0
344.25528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87379	0.5
57.14191	0.6
69.03431	1.1
83.05006	1.0
99.08152	8.5
109.57192	0.7
114.60331	0.7
121.10178	1.4
123.70772	0.6
124.08479	0.8
125.09718	1.3
137.09711	0.8
149.13257	0.7
171.10287	16.6
175.11351	1.0
193.12335	17.4
211.13371	3.6
225.14972	23.0
243.15968	8.3
293.21164	1.0
343.24915	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	343.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42378	0.4
57.84692	0.5
67.83938	0.5
71.81836	0.4
78.21276	0.4
99.08161	1.8
121.10218	4.1
125.09686	0.8
127.11264	0.9
137.09755	0.7
139.11288	40.7
171.10268	54.4
172.10635	0.6
183.13768	0.9
211.13406	10.7
243.15952	0.6
293.21283	0.7
307.22833	0.6
334.64859	0.6
343.24927	100.0
344.25195	3.0
367.64767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33469	0.5
55.77621	0.6
58.79361	0.6
59.01385	0.8
59.50848	0.5
61.05914	0.7
61.68518	0.5
68.62579	0.5
69.03458	0.6
83.05019	0.7
84.77302	0.6
92.11828	0.7
97.06529	0.7
99.08134	3.2
121.10200	11.7
123.08102	1.0
125.09740	1.5
127.11274	2.6
129.50189	0.6
137.09708	1.4
139.11285	4.1
153.09245	0.7
163.82346	0.6
171.10268	67.5
193.12309	5.3
211.13431	1.0
225.15041	6.9
226.02707	1.5
238.20639	0.7
241.05176	0.8
243.15973	1.1
285.03815	2.5
293.21356	2.7
313.03516	8.2
328.05884	4.7
343.08493	5.2
343.24911	100.0
344.25250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
55.15324	1.1
57.03445	1.9
58.00589	1.9
59.01390	91.7
71.01394	39.3
72.99302	2.6
73.02949	2.6
74.11450	1.1
79.01987	1.1
83.01369	1.8
85.02959	8.6
87.00861	2.5
89.02448	35.2
91.79999	1.3
92.05088	11.5
92.57458	1.2
95.01381	6.0
96.96021	1.8
101.02451	19.8
101.19283	1.2
102.80017	1.4
108.04556	3.1
113.02460	12.9
119.03492	13.2
120.04552	34.7
122.06133	10.2
124.61864	1.2
136.04013	13.6
137.04829	2.1
138.05617	57.1
164.03539	74.7
180.06679	3.0
225.58144	1.4
258.20490	1.4
300.10892	18.3
344.09863	100.0
355.70544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.0
61.98822	2.3
65.56787	0.4
71.01378	11.9
72.00540	0.6
72.00906	13.9
72.99281	0.5
75.68909	0.5
78.95885	0.6
85.02932	1.0
89.02435	15.8
91.05495	0.8
96.96006	3.7
96.96925	0.5
101.02429	4.8
103.00392	0.6
113.02423	2.7
114.05597	0.9
116.92804	0.6
119.03465	2.2
119.05004	2.7
120.05336	2.4
122.02463	3.2
122.89365	0.7
124.89024	1.0
128.03549	0.6
135.04466	1.2
136.03975	1.0
136.93967	0.7
138.84956	0.6
147.04515	56.5
161.04544	0.5
163.03944	0.7
164.07164	100.0
165.07484	1.1
179.05586	3.3
181.05084	2.2
182.05466	3.7
191.94768	0.5
238.78995	0.5
278.29434	0.5
335.87000	0.6
344.10565	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	344.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99653	16.7
59.01387	19.4
61.78738	15.9
86.97786	15.7
99.20738	17.6
102.88188	17.3
134.89464	100.0
155.43198	19.0
217.07265	33.6
283.26498	23.5
301.16721	45.1
344.28833	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
58.63358	0.2
59.01388	0.7
61.98836	100.0
65.22977	0.2
70.05986	0.2
71.05009	0.4
92.03477	0.2
96.96014	0.8
118.63968	0.2
125.09726	0.2
127.11292	0.4
137.57164	0.2
155.10796	0.2
164.04892	0.2
171.10286	1.8
201.11429	0.4
211.13493	0.4
229.14476	0.8
266.05038	0.2
278.66580	0.2
316.03827	0.2
344.21811	0.3
345.10208	0.4
345.22839	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	345.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
60.35844	0.1
61.98833	100.0
62.08186	0.1
76.18155	0.2
92.11708	0.3
93.98808	0.2
201.11385	0.3
343.84399	0.2
345.22607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79387	1.0
57.03455	1.9
58.00585	2.6
59.01373	6.0
61.98825	4.6
69.38294	1.0
70.79112	1.0
71.05027	1.2
73.02924	2.4
102.09383	1.1
107.62145	1.1
116.07108	1.3
121.02956	1.5
125.09715	2.8
137.09714	2.5
139.11287	1.7
140.27948	1.3
141.12857	8.5
155.10817	1.9
169.12312	7.5
171.10251	13.9
183.11768	1.4
183.13878	2.4
185.11929	10.3
186.63036	1.1
196.80405	1.2
197.11813	6.7
201.11307	2.3
213.11433	2.3
215.12889	100.0
217.10867	2.5
227.12805	5.1
265.84085	1.2
291.19717	8.9
309.20737	76.4
345.04230	1.7
345.17014	6.6
345.22900	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	345.2072
Annotation	13,14-dehydro-15-cyclohexyl Carbaprostacyclin
Peak:m/z	Relative Intensity
52.85071	0.3
72.02143	0.3
75.37469	0.2
84.58477	0.3
98.60065	0.4
125.63276	0.3
268.59641	0.3
269.19080	0.7
287.20187	29.3
345.20740	100.0
346.21106	0.6
363.01605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2286
Annotation	oscr#20
Peak:m/z	Relative Intensity
53.16772	0.6
58.00608	0.9
59.01393	84.1
61.98835	1.3
73.02953	2.6
76.57887	0.7
83.05005	0.7
84.70491	0.7
87.04491	0.7
93.01788	0.7
99.08160	7.2
107.47073	0.7
123.08129	0.7
125.09701	0.8
127.07658	0.9
127.11386	1.0
129.09218	7.6
137.09749	1.4
137.80754	0.6
139.11269	3.0
149.09700	1.0
153.12935	1.1
155.10796	2.7
165.12849	4.8
167.10817	3.2
181.12299	1.2
197.11812	0.8
239.16600	1.2
312.31128	0.7
327.21887	6.3
345.22861	100.0
346.23254	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2282
Annotation	oscr#20
Peak:m/z	Relative Intensity
52.75221	0.4
57.03452	1.2
58.00589	1.1
59.01373	3.3
61.79602	0.5
67.32157	0.4
68.52128	0.4
71.05015	0.5
73.02914	0.7
83.05043	0.7
84.02179	3.4
91.85284	0.5
92.12402	0.5
97.06577	0.8
99.08145	3.9
113.09693	0.9
125.09728	6.1
127.11291	3.5
129.09206	3.1
137.09726	2.1
139.11305	1.0
141.09222	0.9
152.64941	0.5
153.12779	0.6
155.10759	2.3
165.09209	0.6
167.10666	0.6
169.12346	1.0
171.10266	17.0
183.10370	0.7
185.11844	5.5
197.11858	4.5
199.09753	0.6
199.13477	0.8
201.11330	7.2
207.30209	0.5
209.11871	2.8
213.11382	1.2
215.12935	2.1
247.20679	5.8
265.21701	5.2
291.19742	4.1
309.20724	7.1
327.21793	12.0
345.22852	100.0
346.23270	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	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82087	1.1
56.05341	1.1
57.03453	2.2
58.00599	4.1
59.01384	13.8
66.00552	1.1
71.01369	1.6
73.02901	1.2
74.59580	1.2
76.05719	1.2
80.18105	1.2
84.02169	2.0
92.12421	2.0
93.07053	1.0
99.08130	5.2
113.09762	9.9
114.65240	1.1
125.09707	9.9
127.11274	11.4
129.09213	2.4
137.09740	2.5
141.09186	4.7
141.12854	2.3
143.10805	2.8
151.11317	1.9
155.10773	7.1
167.10716	1.4
169.12346	2.2
171.10262	39.2
185.11794	15.6
197.11884	11.5
201.11354	47.8
209.11891	2.2
213.11334	18.1
215.12894	90.8
216.13301	1.5
227.12985	1.6
291.19736	4.6
309.20801	6.5
327.21783	43.3
345.22858	100.0
346.23126	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2284
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03470	0.4
57.94753	0.4
58.00597	1.7
59.01400	4.1
71.01401	0.6
73.02957	0.7
76.97956	0.4
80.37115	0.4
84.02172	2.2
99.08136	1.7
111.08156	0.8
113.09735	5.3
125.09711	3.2
127.11265	2.0
129.09203	1.0
137.09727	2.1
141.09256	6.6
143.10782	2.1
153.09221	0.7
153.12886	0.5
155.10808	0.9
169.12364	0.5
171.10263	36.6
185.11841	6.1
197.11807	5.6
201.11349	7.7
203.12997	0.7
209.11827	0.8
213.11340	2.5
215.12917	7.5
249.14931	0.6
291.19843	0.5
327.21848	8.5
345.22849	100.0
346.23209	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	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00202	0.2
54.82542	0.1
58.15800	0.2
59.01385	23.8
60.01724	2.2
61.01825	0.3
61.98835	100.0
76.77544	0.2
93.53357	0.2
106.96996	0.2
109.09306	0.2
157.03522	0.2
159.01497	0.3
159.03302	0.8
160.01657	0.3
161.01286	0.4
201.02567	5.0
202.02728	5.5
203.02287	6.4
204.00000	31.9
204.02667	1.7
205.00259	0.9
272.68359	0.2
346.01407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0559
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
54.39862	0.3
62.71786	0.3
72.58186	0.3
72.96323	0.3
78.95907	100.0
96.96954	26.1
101.02405	0.4
107.03631	1.6
107.40813	0.3
111.02012	1.2
134.04723	19.8
138.22760	0.3
138.98042	0.7
150.98035	2.7
158.75899	0.3
168.76869	0.3
175.28439	0.3
192.99153	0.5
211.00223	2.7
346.05594	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03883	7.3
54.82859	8.4
59.01387	100.0
61.74863	7.7
61.98849	11.1
65.23135	6.1
69.44950	7.0
72.94302	11.9
81.09564	7.3
84.29698	6.8
91.97911	8.1
92.12393	15.4
111.11342	7.1
251.16539	19.1
291.19717	36.5
298.20859	8.6
309.20795	45.6
311.22189	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	347.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43045	6.9
54.76347	8.1
59.01375	39.3
61.98827	72.4
68.06430	9.7
74.86710	9.6
90.50883	8.5
93.08835	9.7
96.99941	8.6
100.41129	10.7
105.90479	8.5
106.86514	9.0
164.99242	9.9
171.10204	40.1
251.16490	42.8
267.19638	60.8
291.19727	48.1
293.17560	20.5
309.20706	100.0
311.18637	53.7
311.22250	89.6
359.10138	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	347.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82691	2.8
56.46114	2.6
58.02985	49.3
76.87170	3.2
104.53613	3.0
168.13927	100.0
211.13542	5.0
293.21323	20.4
304.19226	21.6
311.22281	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	347.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.8
61.98840	16.6
62.75050	10.2
63.05464	10.1
66.77245	9.8
67.71310	10.8
75.00843	13.4
76.69387	9.9
127.77661	12.3
163.38577	13.6
229.16331	13.2
293.21225	100.0
311.22321	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	347.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80141	0.2
58.95564	0.2
59.01385	18.5
65.66757	0.2
70.97059	0.2
88.07619	0.3
106.62074	0.3
225.22270	0.7
244.28951	0.3
247.20578	0.4
260.45316	0.3
265.21732	100.0
266.22076	1.7
271.22681	1.1
284.55273	0.3
284.86722	0.4
347.22064	19.1
348.22635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2229
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
50.22009	0.2
59.01396	0.4
75.00876	5.9
127.34240	0.3
146.48599	0.3
230.24698	0.3
306.94714	0.3
347.22278	100.0
348.22672	3.2
362.08093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.9
58.00597	0.8
59.01383	2.6
61.98847	0.7
70.10992	0.4
70.63445	0.4
73.02944	2.0
78.71185	0.4
79.95699	0.5
89.37508	0.4
92.12390	1.2
92.65814	0.4
97.06596	0.5
99.08174	8.3
113.09804	0.5
125.09727	2.7
127.11278	7.7
129.09207	2.6
139.11301	5.1
143.10762	2.5
155.10780	2.2
165.09181	0.5
171.10278	12.0
181.12509	0.6
183.10262	0.5
183.13885	0.8
197.11858	0.7
199.09726	0.5
199.13435	6.3
201.11349	16.4
211.13420	5.8
215.12895	7.2
217.14473	4.6
229.14424	3.8
256.70731	0.5
300.56580	0.5
329.23456	7.9
333.42245	0.5
347.24432	100.0
348.24747	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32696	0.2
53.73990	0.3
54.28014	0.3
54.81762	0.2
57.03453	0.6
58.00591	0.6
59.01379	2.7
61.98825	0.6
68.42097	0.3
71.01383	0.4
71.05034	0.4
73.02940	2.4
74.68887	0.2
97.06572	0.4
99.08149	6.0
113.09689	0.4
125.09726	2.4
127.11281	5.5
129.09210	2.4
134.60173	0.3
135.34390	0.3
137.09717	0.7
139.11296	5.0
143.10757	3.1
155.10791	1.8
157.12277	0.7
165.09190	0.5
171.10281	10.0
181.12422	0.5
183.13818	0.6
197.11818	0.6
199.09746	0.4
199.13425	5.2
201.11349	14.6
211.13403	6.2
213.11334	0.4
215.12907	7.1
217.14449	5.0
229.14413	2.4
293.80350	0.4
311.22449	0.5
329.23364	8.3
347.19156	3.4
347.24426	100.0
348.24734	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	347.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37409	72.0
59.91931	69.2
72.62161	75.7
91.66461	81.4
110.44990	73.3
114.73132	86.3
116.92787	83.8
118.75394	89.2
130.39658	83.8
145.93007	89.8
191.91800	100.0
192.49538	84.7
360.62766	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2549
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
58.13744	0.2
66.76083	0.2
77.65022	0.2
80.80524	0.2
86.06110	0.2
88.04046	100.0
89.04357	0.2
90.79882	0.2
94.40170	0.2
133.41298	0.2
151.29037	0.2
223.75438	0.2
236.59721	0.2
332.86209	0.2
348.25479	35.2
349.25732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46400	0.2
59.01385	100.0
61.98849	0.3
87.93510	0.2
115.47893	0.3
202.09708	0.2
216.98361	0.2
233.33861	0.2
256.92645	0.2
261.73758	0.3
263.23080	0.2
311.22528	0.3
312.22803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94617	0.2
53.37511	0.2
77.64147	0.3
78.95901	34.7
79.34853	0.3
79.95742	2.7
82.83984	0.2
96.95998	100.0
96.96944	60.1
244.62628	0.3
291.70792	0.3
319.98569	0.3
334.68420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98838	0.2
67.32951	0.2
72.31021	0.2
78.95909	40.3
79.95756	2.0
96.96017	100.0
96.96960	65.6
99.81435	0.2
100.39038	0.2
127.11897	0.2
155.26202	0.2
250.34576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1143
Annotation	Prodiamine
Peak:m/z	Relative Intensity
57.03445	4.2
57.78392	0.8
58.00572	0.7
58.62757	0.7
59.01112	1.0
59.01386	20.4
59.01659	1.7
60.76371	0.8
61.98820	4.3
67.01884	0.8
68.99812	1.2
71.01384	20.5
72.99303	7.3
73.02946	1.2
74.78448	0.6
75.00870	20.4
78.38026	0.7
83.01377	0.9
85.02452	1.5
85.02942	21.1
87.00886	7.0
89.02434	4.7
93.03484	1.1
95.01379	6.0
96.95992	5.6
99.00891	11.9
99.04510	100.0
100.04863	1.0
103.00379	1.5
113.02442	16.8
114.38379	0.7
115.00352	1.8
117.01933	1.9
129.01891	1.0
133.92001	0.8
135.75108	0.7
175.02423	3.0
229.20998	0.7
231.05040	1.8
249.06158	20.5
264.36856	0.8
267.07285	8.4
331.10431	1.5
349.11435	64.8
350.11758	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	349.1871
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.27703	0.6
55.01866	1.5
57.03436	0.7
59.01387	50.4
59.45226	0.6
61.98826	1.3
71.01383	23.4
72.99300	1.5
75.00824	0.7
78.14381	0.7
83.01384	1.5
83.24763	0.6
83.42356	0.7
83.86649	0.6
85.02945	5.2
87.79290	0.6
89.01889	0.8
89.02438	19.7
95.01349	1.2
99.00862	0.7
101.01839	1.0
101.02442	14.1
113.02460	8.8
116.05072	0.9
119.03519	7.2
129.34914	0.6
131.03546	0.7
140.97577	0.6
141.12862	42.0
169.12367	6.2
171.13950	1.3
173.07109	0.9
183.13884	3.3
185.15503	0.7
187.13400	66.0
229.14510	1.7
349.18729	100.0
350.19000	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	349.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22925	1.0
50.99927	1.1
63.09783	1.0
64.34309	1.4
80.77095	1.1
112.85098	1.4
200.10521	1.8
249.22340	2.7
267.23251	1.3
278.93344	1.4
293.21313	7.0
311.22311	100.0
312.22647	7.9
313.22897	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	349.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54539	0.3
55.00062	0.3
59.95282	0.3
61.98827	0.3
69.52136	0.3
72.24985	0.3
75.78354	0.3
82.07670	0.3
87.30752	0.3
90.87398	0.3
96.73090	0.3
114.45451	0.4
116.92844	0.6
119.16833	0.3
131.22812	0.3
232.44699	0.4
244.26804	0.4
250.76813	0.4
253.21727	100.0
254.22086	1.6
346.16513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19738	0.2
53.72490	0.2
53.90818	0.2
59.01388	17.1
61.98843	0.2
63.53122	0.2
65.82445	0.2
78.40987	0.2
84.26627	0.2
89.07503	0.2
93.59379	0.2
116.92859	0.9
147.50130	0.2
253.21599	0.3
267.23315	100.0
268.23611	4.2
277.09750	0.3
330.69592	0.2
337.24683	0.3
347.68222	0.3
349.23642	20.6
350.23853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.7
61.98822	18.2
64.47501	3.9
65.86076	3.7
75.02153	4.4
96.96013	97.8
108.88402	4.0
127.12706	3.9
132.45126	3.9
135.28101	4.0
148.90158	3.8
171.10278	17.0
172.10582	5.8
201.11139	6.0
222.23265	4.0
265.14810	100.0
311.22217	19.3
312.22684	31.0
314.24030	18.8
350.12604	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	350.247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07230	41.5
55.83196	43.6
57.15337	52.9
59.01382	68.7
61.98821	68.0
66.70007	43.6
74.71512	45.9
81.71332	53.2
95.49669	60.3
98.03418	50.7
103.82526	48.4
129.32967	45.6
192.95840	100.0
197.42050	50.3
213.89272	59.6
228.09447	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2703
Annotation	Melophlin E
Peak:m/z	Relative Intensity
56.47920	0.1
58.02975	0.2
58.30662	0.1
86.06117	0.7
88.04033	100.0
92.11795	0.3
99.02854	0.2
99.44958	0.2
130.11705	0.2
130.70879	0.2
299.21268	0.2
348.28961	0.2
350.27036	34.6
351.27411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31749	0.5
55.23820	0.5
58.02707	1.0
58.02983	24.4
59.01399	5.1
61.98815	0.6
88.04038	66.0
106.11078	0.6
119.25718	0.6
122.04530	0.7
142.01596	0.6
268.61734	0.6
278.24899	12.2
280.82642	0.8
330.78729	0.6
350.27045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36961	0.3
59.01390	2.6
59.39557	0.3
61.98841	2.7
62.74279	0.3
67.01601	0.2
67.01900	3.6
67.29849	0.3
72.99309	4.2
83.01386	5.1
85.02951	13.7
89.02440	0.4
92.11768	1.1
95.01380	0.4
96.96001	2.9
98.57017	0.3
99.00878	1.7
101.02431	2.0
101.06066	0.3
105.03461	1.9
111.00875	100.0
112.01224	0.3
114.38270	0.3
114.40022	0.3
116.05066	0.3
129.01926	1.7
133.02937	3.6
145.93478	0.3
154.99867	10.8
160.84233	0.7
173.00902	19.6
174.01268	0.4
240.81146	0.3
290.99548	0.4
315.09958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.109
Annotation	Ningposide C
Peak:m/z	Relative Intensity
50.82810	0.6
54.49891	0.7
57.03462	0.7
59.01388	34.6
61.98828	1.4
64.32560	0.7
65.45486	0.7
69.28705	0.8
69.67560	0.7
69.89782	0.8
71.01384	5.6
72.99288	0.8
73.02956	8.1
79.95735	1.0
83.01392	1.6
83.05042	5.7
85.02955	6.9
93.03459	1.5
96.96014	1.2
99.04552	1.9
101.02431	1.2
103.73936	0.8
111.00871	1.7
117.03442	9.9
119.05020	100.0
127.04028	3.6
131.04988	0.8
145.02960	31.0
145.05049	26.6
163.04008	96.4
163.06053	24.7
173.00932	1.0
205.07182	17.5
291.08777	1.5
292.08627	0.9
309.09836	6.8
351.21863	1.0
354.23187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75786	0.5
55.01868	1.0
57.03458	2.5
59.01115	0.6
59.01388	14.0
67.01877	0.6
68.99805	0.5
70.55961	0.5
71.01381	12.2
72.99306	4.8
73.02946	0.6
75.00452	0.8
75.00867	15.4
78.83848	0.5
83.01396	0.6
84.60392	0.5
85.02948	14.0
87.00861	5.2
89.02434	3.3
91.56429	0.5
95.01388	3.5
99.00883	8.9
101.06077	100.0
103.00380	0.7
107.53151	0.5
113.02451	13.5
115.00343	0.9
117.01929	2.9
129.01926	1.1
175.02492	0.8
231.05150	1.3
246.66153	0.6
249.06207	11.0
267.07266	0.7
333.12057	2.5
345.93921	0.6
351.13019	58.4
352.13562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03449	3.4
59.01382	21.1
71.00985	0.8
71.01379	19.8
72.99300	6.2
73.02943	1.4
75.00867	15.8
83.01373	1.0
85.02948	23.7
87.00877	8.1
89.02437	5.4
95.01369	3.8
95.05047	0.6
96.95963	0.8
99.00874	12.3
101.02406	0.8
101.06075	100.0
102.06403	1.2
103.00362	1.5
105.03436	1.3
105.24951	0.8
111.00850	4.9
112.01717	0.7
113.02445	23.0
115.00347	1.3
117.01915	3.1
122.48524	0.6
129.01942	1.0
133.02936	9.1
137.19670	0.7
146.06157	1.4
173.04514	2.4
174.94630	0.6
175.02496	1.4
177.01912	1.5
190.05035	0.9
205.07172	2.4
214.73129	0.7
249.06212	3.8
267.07187	3.2
270.41815	0.7
293.09305	0.6
293.12564	0.7
324.85809	0.7
333.11859	2.7
337.34161	0.6
351.12994	68.2
352.13312	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	351.1348
Annotation	Moschamine
Peak:m/z	Relative Intensity
56.54371	0.3
59.01363	0.5
96.95925	0.4
97.03261	0.3
100.79620	0.3
102.97015	0.3
106.11523	0.3
131.03738	3.4
133.03009	0.4
134.03706	100.0
135.04170	1.8
144.04521	1.7
147.04456	0.4
148.05267	3.0
149.06050	63.1
150.06361	0.8
156.06908	1.8
158.06064	1.7
161.02432	1.7
174.07968	1.3
175.08734	0.7
176.03421	0.6
189.04306	0.4
190.05035	0.3
192.95976	0.3
201.06618	2.6
204.06624	0.7
333.12384	0.7
336.11514	0.4
351.13461	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91748	0.2
59.01384	100.0
60.01698	0.2
61.98838	1.7
71.54038	0.2
90.76821	0.2
95.10604	0.2
111.00877	1.8
151.06465	0.2
192.96016	0.3
315.18527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82610	59.2
57.96589	50.0
59.01381	100.0
60.76068	54.5
61.30744	56.9
116.92870	67.1
135.28383	70.1
150.59859	65.6
150.81911	59.4
168.79153	61.8
255.23460	84.7
260.23428	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1043
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
52.52340	0.3
57.03442	0.8
59.01381	1.5
59.76091	0.3
66.04236	0.4
66.59809	0.4
71.01385	0.6
73.02937	2.8
78.95922	0.4
83.01385	1.6
83.67364	0.3
85.02947	1.5
86.75812	0.4
87.00865	2.2
91.19202	0.4
93.03438	0.6
99.00871	1.7
103.59441	0.4
113.03470	0.4
116.05051	5.1
118.06590	0.8
127.00356	2.7
128.05074	4.1
131.03763	9.4
132.04591	0.4
142.06679	0.5
144.04556	29.1
144.08138	0.6
146.06123	100.0
147.06444	1.7
152.91765	0.8
158.06059	0.5
160.04083	0.3
160.07693	1.6
161.04602	0.4
162.05595	2.9
172.04025	8.1
179.05702	0.4
188.07201	1.5
189.00377	1.6
190.05106	61.5
191.05544	3.9
205.83759	0.3
268.89612	0.4
296.32730	0.4
352.10626	2.9
353.33014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55460	0.1
52.16706	0.1
54.89975	0.2
56.24847	0.2
59.01379	0.9
73.02924	0.3
80.30770	0.2
85.78580	0.2
86.06108	0.3
88.04034	100.0
89.02592	0.2
89.04394	0.3
90.60956	0.2
91.14907	0.2
99.00871	0.3
99.92594	0.8
115.92065	0.4
116.92859	2.5
127.00330	0.3
189.00465	0.3
191.75406	0.2
201.90460	0.2
226.18700	0.2
253.21762	1.1
254.22052	3.7
282.75284	0.2
297.69717	0.2
320.73346	0.3
344.80341	0.2
352.28592	36.0
353.14304	1.1
353.29047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62728	0.8
55.01869	6.7
57.03455	20.5
59.01382	24.8
71.01366	4.4
73.02939	88.2
83.01377	67.2
87.00851	5.1
88.39273	1.1
99.00858	48.8
101.02399	2.3
105.34674	1.0
117.01923	1.4
119.04980	1.3
127.00349	100.0
129.22530	1.0
142.99841	2.2
145.01396	1.5
166.84720	0.9
189.00401	72.6
211.76599	1.1
211.78624	1.0
236.07700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40052	0.7
55.01889	6.6
57.03456	43.5
59.01386	14.0
61.98832	4.1
71.01382	2.0
72.99319	0.8
73.02944	38.9
83.01384	55.1
85.02947	4.4
87.00876	4.2
95.43040	0.9
99.00873	25.4
99.49445	0.9
101.02420	6.4
102.05617	4.0
111.00883	15.2
119.05029	2.1
127.00371	100.0
128.03542	2.1
144.04555	1.5
145.04921	0.9
146.04605	5.7
146.06085	9.9
147.06471	4.1
152.82489	0.9
156.17053	0.9
160.03966	1.2
162.05644	3.9
163.04091	1.0
172.04054	1.1
173.00906	1.2
173.04439	1.2
189.00418	57.4
190.05119	5.1
191.05504	4.6
206.04633	2.0
239.56245	0.9
257.85074	1.0
356.07440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87380	0.3
54.59869	0.3
54.82571	0.3
58.08817	0.3
59.01387	100.0
60.01712	0.4
62.04891	0.3
70.00161	0.3
71.01396	2.0
73.02940	2.2
83.01401	1.5
83.39528	0.3
85.02962	0.5
90.10770	0.3
99.00893	1.3
101.02464	1.4
113.02435	0.5
121.85769	0.3
127.00394	2.0
161.04576	1.1
189.00482	0.8
251.11304	4.0
293.12723	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1872
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
51.68308	1.1
54.82342	1.1
56.56141	1.1
59.01377	7.4
59.40746	1.3
68.16941	1.2
73.02943	6.1
75.00879	1.2
83.01376	2.7
95.05030	1.4
96.96026	2.4
99.00849	2.4
113.09748	1.5
118.46883	1.4
126.62711	1.5
127.00378	6.4
189.00401	2.1
195.13895	18.5
277.21692	12.7
292.58475	1.3
293.21185	7.5
295.22800	53.6
317.20996	2.9
353.18671	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	353.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
73.02940	1.8
77.57069	0.3
79.95728	13.4
80.96517	0.6
83.01389	1.3
94.98086	1.8
95.95216	3.7
96.88982	0.3
96.96000	96.5
99.00878	1.3
116.51712	0.4
122.97565	4.5
127.00377	3.2
145.22810	0.3
166.44528	0.4
183.74797	0.3
186.75420	0.3
189.00430	1.7
199.68126	0.3
212.66580	0.3
263.12109	0.3
287.06726	0.3
353.20068	100.0
354.20474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2124
Annotation	Guayulin B
Peak:m/z	Relative Intensity
67.88412	0.2
78.71861	0.2
91.94323	0.2
96.66678	0.2
147.08174	0.3
163.11282	100.0
164.11629	1.2
176.76430	0.2
177.09207	71.5
177.32722	0.2
178.09526	1.0
187.36050	0.2
222.08987	0.7
297.98944	0.2
353.21249	79.3
354.21695	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	353.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03466	0.3
59.01386	1.9
63.56322	0.4
75.71930	0.3
80.46680	0.4
80.91647	0.4
99.92583	0.3
126.86874	0.3
127.00342	0.5
162.30151	0.4
163.11360	0.4
177.12857	0.7
181.79851	0.4
189.00407	0.5
197.19153	0.8
203.28497	0.4
221.19135	0.7
223.20686	4.6
225.22250	64.6
226.22520	0.7
253.21712	1.8
271.22800	100.0
272.23102	2.2
277.21695	0.8
353.22998	5.9
353.30054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00738	0.9
52.39825	0.8
54.82423	0.8
59.01383	100.0
61.64372	1.0
61.98822	1.5
64.71488	1.0
73.02943	2.0
77.60051	0.9
83.01406	1.0
91.19871	1.1
92.94704	1.1
109.75880	1.0
123.00626	4.7
127.00343	1.4
131.62622	1.1
189.00444	1.4
271.22787	82.5
353.23322	13.2
358.13217	1.1
362.03586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64873	0.9
54.71222	1.1
57.03443	1.9
59.01112	1.7
59.01390	35.8
64.34350	1.0
73.02945	1.0
80.53274	1.0
83.01392	2.3
99.00855	1.4
99.08139	7.5
127.00353	6.7
137.09723	2.3
153.12828	2.4
155.14445	5.5
169.16042	1.3
171.10286	2.1
185.11845	1.3
189.00424	2.5
203.83060	1.1
208.95816	1.2
215.12825	1.5
225.22250	6.5
226.22588	1.2
249.22198	1.9
255.92154	1.2
265.21872	2.4
269.21021	1.3
271.22809	100.0
272.23108	1.2
275.20288	5.3
280.56580	1.2
293.21271	69.3
294.21338	1.4
311.22360	16.5
335.22360	12.8
338.59732	1.2
353.23273	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	353.3064
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
54.82455	0.8
59.01368	1.3
61.58691	0.7
89.08340	0.8
96.95992	4.6
100.52516	0.9
116.92815	1.3
136.65526	0.9
157.05000	0.9
188.87730	0.9
307.30099	47.5
310.28262	1.5
335.29691	1.3
353.30624	100.0
354.30789	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30496	0.9
54.82576	0.8
55.65707	0.7
59.01393	1.5
85.02931	1.1
88.04039	20.4
91.72191	0.9
99.92598	2.4
111.16563	1.0
115.92062	1.5
116.07151	1.0
116.92849	6.7
126.09180	1.0
127.11283	1.5
130.23427	1.0
144.68024	1.2
163.46040	1.0
165.44814	1.0
171.10271	37.9
182.11852	30.7
185.11754	2.2
212.12927	1.7
224.13017	1.4
279.23264	5.0
281.24869	58.4
297.24319	15.7
306.24371	9.6
308.26035	2.0
324.25354	15.1
354.26511	100.0
354.30267	8.7
355.15900	5.8
355.26999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43936	0.1
54.82533	0.2
64.20206	0.2
72.49359	0.2
80.48922	0.2
83.00553	0.2
89.26942	0.2
105.90156	0.2
114.09174	0.3
116.07165	100.0
117.07512	0.3
122.87187	0.2
126.09222	0.9
206.69420	0.2
237.22083	0.2
239.23816	1.0
244.02164	0.2
254.24818	0.9
279.23016	0.3
292.30087	0.2
310.31183	6.9
311.31625	0.2
324.86572	0.2
354.30157	60.3
355.30438	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	355.0826
Annotation	Sulindac
Peak:m/z	Relative Intensity
59.01365	1.4
61.98814	3.8
78.84687	1.4
85.02930	2.1
87.00856	2.7
119.05004	29.1
121.02937	100.0
162.03242	1.5
163.04005	11.9
181.06554	2.4
183.01244	12.3
185.11707	1.8
311.09274	82.3
353.75406	1.7
355.01828	3.3
355.08282	41.9
355.15628	16.0
355.20621	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	355.1035
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
56.98973	0.5
58.20551	0.5
59.01386	13.3
71.01379	5.7
84.91615	0.5
85.02933	1.0
89.02431	4.4
101.02421	1.2
113.02434	1.3
117.74744	0.5
119.03507	0.6
132.02164	20.2
134.03722	11.1
138.92833	0.6
147.04576	0.6
149.06056	1.1
160.01654	89.1
160.37679	0.6
161.01900	0.9
172.70102	0.6
175.03993	100.0
176.04601	2.5
191.07048	1.9
193.05063	12.8
202.02635	0.8
217.05055	4.4
235.06041	2.5
295.08286	1.1
355.10495	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	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.9
62.22496	0.3
64.34235	0.4
69.36768	0.4
71.01381	9.0
72.99287	0.4
73.02937	0.4
75.35541	0.4
83.01412	0.4
84.20763	0.4
85.02946	2.1
89.02441	6.4
95.01380	0.4
101.02454	2.6
113.02455	1.7
114.38042	0.4
117.03495	0.6
119.03542	0.5
122.02477	0.8
132.02162	20.2
133.02968	0.8
134.03734	26.0
135.04570	0.8
137.74510	0.4
138.05614	1.9
144.82695	0.4
146.03683	0.4
147.04570	1.8
148.05252	0.9
149.06078	4.2
158.66916	0.4
160.01657	99.9
161.02104	0.9
175.03996	100.0
176.04741	5.5
177.01920	0.7
178.02731	2.3
187.04025	0.4
191.07150	4.9
193.05055	24.9
194.04585	2.9
202.02635	0.7
207.06746	0.8
217.05038	5.1
220.03664	0.9
221.08212	0.7
235.06094	7.6
247.06290	0.5
257.91760	0.4
260.99966	0.4
265.07178	3.7
295.08282	8.5
355.10443	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.7
59.01385	38.2
59.01684	1.3
61.98823	1.4
64.04791	0.9
66.16697	0.9
69.90824	0.9
71.01382	25.6
73.02947	1.0
75.59809	0.8
85.02937	5.9
89.02438	14.9
101.02421	5.2
113.02436	6.5
117.03446	3.8
119.04999	1.0
122.19705	1.0
123.04466	1.1
132.02173	10.5
133.02919	6.3
134.03737	100.0
135.04088	1.0
137.02487	1.6
139.03999	1.2
147.04532	8.8
148.05316	2.1
149.04996	1.4
149.06096	20.1
150.36790	1.0
160.01665	59.7
161.02313	1.1
163.03998	0.9
174.03159	1.3
175.04002	53.4
176.04793	17.1
177.01988	3.4
178.02737	12.1
179.03357	0.9
187.04027	1.4
188.04767	4.3
191.07155	16.2
192.04396	1.0
193.05069	87.0
202.02722	0.9
203.07138	1.8
206.05817	1.0
207.06638	3.5
217.05043	2.0
220.03854	1.6
221.08147	5.2
235.06149	31.3
247.06105	4.1
265.07187	28.7
295.04977	1.8
295.08264	43.6
355.10406	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	355.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30509	0.2
57.57123	0.2
61.82918	0.2
65.63676	0.2
71.26934	0.2
71.31712	0.2
73.65719	0.2
84.93867	1.7
88.04039	4.3
88.15744	0.2
99.92580	50.0
100.92628	0.9
100.93341	5.8
112.16913	0.2
115.92075	25.8
116.92857	100.0
117.92861	1.7
117.93616	0.4
142.94409	0.3
178.76651	0.2
225.22316	1.5
241.21689	0.2
311.16977	1.0
325.14856	1.0
343.15799	1.5
354.30350	0.8
355.15878	62.1
355.30350	0.8
356.16080	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01386	1.4
87.69939	0.8
100.56438	0.8
109.02915	0.9
116.92831	1.7
122.03716	7.9
135.04500	19.8
136.01602	1.0
147.08182	5.2
149.06075	1.7
149.09694	10.0
151.07600	1.5
154.02742	1.4
155.68631	0.9
161.09744	13.3
163.07640	4.3
163.11275	59.2
164.08441	21.7
164.11586	1.0
165.09187	5.0
177.09203	88.8
178.09990	20.7
179.10770	68.3
180.11113	0.9
186.35187	0.9
187.11357	1.7
191.10791	8.5
193.08681	5.5
239.14159	0.8
265.12253	1.4
268.34222	0.8
279.13773	1.4
280.14691	3.9
298.15753	43.4
299.16367	1.0
307.17194	1.6
322.19226	1.1
337.21759	62.1
338.22119	3.9
340.20441	100.0
341.20926	6.1
355.22833	65.9
356.23090	3.2
371.83823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
56.56245	0.2
60.09793	0.1
61.98822	0.3
71.32792	0.1
75.55203	0.2
103.06836	0.1
139.36453	0.2
147.08148	2.4
151.63564	0.2
161.09695	1.8
163.11269	5.1
163.12526	0.2
179.10768	0.3
187.11288	0.4
191.10750	0.3
192.08044	0.2
265.12314	2.4
279.13861	0.2
280.14685	7.0
289.16037	0.4
307.13724	0.2
307.17099	4.0
309.22321	0.2
321.18649	1.6
322.19257	2.3
337.21756	100.0
338.22122	3.4
340.20187	0.2
354.18414	1.3
355.22885	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2281
Annotation	Dshamirone
Peak:m/z	Relative Intensity
61.98543	0.4
61.98836	8.9
67.56023	0.2
93.56379	0.3
102.76203	0.3
104.02654	1.4
109.99031	0.3
117.07111	0.3
126.81654	0.3
128.26834	0.3
129.19322	0.2
133.10231	5.0
134.30783	0.3
137.65302	0.3
147.08150	1.3
149.09717	0.5
151.11235	0.6
161.09720	1.8
163.11287	100.0
164.11604	1.6
179.10780	87.5
180.11096	1.4
246.37100	0.3
279.13812	0.4
282.77664	0.3
295.22650	0.3
337.21771	6.2
337.25290	0.4
355.22836	78.5
356.23193	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	355.322
Annotation	2-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
55.01895	0.9
59.75762	0.9
61.98827	0.9
69.10703	0.7
72.99306	1.0
99.48768	0.8
110.67185	1.0
307.30157	2.2
309.31668	71.3
330.77704	0.9
349.00647	0.9
355.32217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3222
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
61.35609	0.7
61.98837	1.9
68.85766	0.7
75.00862	0.9
92.92805	1.1
99.88716	0.9
104.96974	0.8
107.84404	0.8
116.92840	3.3
279.23392	3.0
330.48056	0.9
337.31244	1.8
355.32214	100.0
356.32507	1.4
370.10028	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0985
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
51.08418	0.3
52.74778	0.3
59.01384	10.8
59.22527	0.3
60.81561	0.3
71.01375	5.3
78.05144	0.4
85.02957	2.1
87.96931	0.3
89.02439	4.0
92.12432	0.8
95.01367	0.5
101.02438	2.9
105.02204	2.5
113.02435	0.9
122.02466	43.0
123.03259	17.2
132.02087	0.6
133.01677	11.8
134.02637	0.4
134.03708	2.7
135.03238	0.6
135.04135	0.8
138.05595	79.9
139.05925	0.6
143.91928	0.4
148.04037	14.0
149.01195	1.8
150.01973	3.9
150.05591	0.9
155.02190	0.8
159.67625	0.4
160.01643	3.0
161.02042	0.9
166.05084	24.5
175.04004	0.9
176.04375	2.5
179.02211	9.5
193.05064	2.6
194.04568	100.0
195.04851	0.8
246.12230	0.4
248.06943	0.4
341.07309	0.6
356.09906	13.8
358.64651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.5
60.42031	0.1
61.98833	1.9
74.33310	0.1
80.83740	0.1
89.02453	0.2
90.91948	0.1
91.05518	0.2
92.02541	0.3
92.12429	0.1
92.65556	0.1
93.03462	0.3
106.22517	0.1
107.03634	3.1
119.01089	0.1
122.02457	0.3
123.28146	0.2
126.02454	0.1
134.04723	100.0
135.04283	0.2
135.05154	0.5
137.02397	0.2
147.81036	0.1
160.04007	0.3
162.05594	0.3
186.05681	0.1
193.05064	0.2
210.86252	0.1
268.09824	0.2
269.10291	0.1
296.08261	3.4
356.07895	0.2
368.82462	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	356.12
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10823	0.2
59.01381	4.5
61.98833	100.0
71.01385	1.7
73.76020	0.3
74.15734	0.2
85.02946	0.5
85.06593	1.6
89.02441	1.8
101.02458	1.6
113.02472	0.5
114.28656	0.3
119.03497	1.1
131.07129	6.9
134.03777	0.6
134.65643	0.3
180.39340	0.3
193.05092	0.5
241.61746	0.3
266.67035	0.3
280.10260	0.3
293.12448	17.6
300.27954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
173.33057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64152	0.2
54.93643	0.2
61.98834	100.0
64.87657	0.2
76.73013	0.2
87.94531	0.2
88.39585	0.2
91.15493	0.2
114.75746	0.2
154.77499	0.2
161.94301	0.2
219.86377	0.2
247.20189	0.2
275.55594	0.2
315.08118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84342	0.2
61.98835	100.0
71.32921	0.2
86.46265	0.2
92.11793	0.3
96.67836	0.2
98.08277	0.2
98.92031	0.2
99.20507	0.2
99.24928	0.2
101.30727	0.2
103.98419	0.2
115.38680	0.2
129.26030	0.2
181.45978	0.2
189.08977	0.2
348.54807	0.2
358.05084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46434	1.1
59.01377	5.6
61.98837	100.0
69.39608	1.4
76.89614	1.0
77.56091	1.1
78.96736	1.1
88.07465	1.3
90.41760	1.3
90.62345	1.2
94.57134	1.6
113.83352	1.3
136.60217	1.4
196.88980	1.4
199.83737	1.4
313.96469	1.2
352.31857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98816	3.5
64.44794	0.8
70.08384	0.6
90.67377	0.9
100.57501	0.7
116.92809	0.9
121.02921	1.0
192.95892	0.9
296.23074	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	356.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.6
60.99284	0.4
61.98832	6.8
63.16481	0.3
63.78632	0.3
71.05020	0.4
72.00919	0.5
72.04548	0.7
73.25883	0.3
74.02469	100.0
84.04558	1.6
92.90054	0.3
116.92880	0.5
118.05087	3.1
121.02957	0.5
125.98107	0.4
138.45630	0.3
182.92183	0.3
192.95880	0.4
195.25230	0.4
221.67157	0.3
237.22241	2.9
266.24860	9.3
268.26511	5.0
294.24445	23.1
294.27991	3.1
297.24515	2.3
312.25464	50.7
313.25754	2.0
356.20718	1.6
356.28088	35.7
357.28683	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0891
Annotation	pantetheine 4'-phosphate
Peak:m/z	Relative Intensity
50.77589	0.7
56.62145	0.8
56.64123	0.8
57.03436	0.9
59.01372	5.1
70.73480	0.8
71.01363	1.3
78.95901	100.0
85.02950	7.8
86.03273	1.8
89.02427	1.4
96.96019	6.1
96.96954	39.2
100.73647	0.9
116.92852	1.2
146.70357	0.7
161.74751	0.9
165.80556	0.8
176.31897	0.8
194.70781	0.9
212.34557	1.0
357.08917	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91241	0.6
52.14460	0.6
52.74555	0.7
53.03943	0.7
55.01883	5.3
57.03473	5.7
58.00606	1.6
59.01390	68.0
61.86650	0.7
63.40731	0.7
69.03454	3.8
71.01384	58.2
72.99297	1.6
73.02948	18.8
76.57264	1.0
83.01400	1.1
85.02948	22.5
89.02440	9.1
96.95976	0.9
97.02930	10.1
99.00849	1.8
101.02435	87.0
103.04031	1.6
113.02425	8.1
115.04028	7.7
117.20937	0.9
127.03941	1.2
131.03490	3.5
133.06517	1.1
161.04550	4.0
163.06114	100.0
166.01617	0.7
167.07147	3.4
176.33514	0.7
179.65347	0.8
181.93796	0.8
247.40633	0.9
297.13434	61.2
298.13858	1.3
321.17014	1.0
357.12286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.0
57.03450	5.9
58.00588	1.1
59.01385	60.3
64.30403	1.0
64.86426	0.9
69.03455	5.3
70.51212	1.0
71.01378	45.0
71.30399	0.9
73.02950	17.2
83.01389	1.8
85.02946	25.2
87.89056	1.1
89.02431	5.8
91.03989	1.3
92.12339	3.7
97.02921	5.6
99.00848	1.7
99.04488	1.9
100.35828	1.1
101.02433	78.0
103.04005	1.6
109.06604	1.3
113.02444	12.5
115.04040	2.4
131.03532	7.0
133.06604	4.8
145.05020	1.2
161.04512	1.7
161.17761	1.0
161.37125	1.0
163.06131	61.2
167.07133	5.1
171.08919	1.0
171.10318	5.3
201.11334	9.6
204.81543	1.1
229.10712	2.0
274.47147	1.2
297.13474	100.0
321.17035	4.1
335.02469	1.2
350.89545	1.1
376.92236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15032	0.5
54.86926	0.7
59.01385	100.0
61.98834	26.2
65.27845	0.7
71.01370	0.7
102.36428	0.6
121.02926	1.6
177.79977	0.8
225.22168	1.2
253.21767	5.1
271.22791	60.7
272.23129	2.9
313.23859	35.1
354.00586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63671	0.6
59.01385	1.8
69.03466	0.9
90.53828	0.7
91.86977	0.7
99.08153	8.6
121.02934	4.8
125.09708	5.1
139.11272	1.4
143.75589	0.8
155.14388	1.8
169.08676	1.3
187.09796	1.3
192.95650	1.1
193.15971	1.0
195.17577	1.1
199.13402	5.4
207.48050	0.8
211.17049	7.4
221.15486	4.6
237.15047	2.6
239.16534	45.7
257.17599	23.3
357.26517	100.0
358.26962	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2649
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
58.00592	1.3
59.01389	6.5
61.98833	1.0
64.99910	0.5
70.89407	0.5
77.71092	0.6
81.37618	0.5
92.21658	0.5
99.08145	8.9
110.44118	0.5
121.02955	3.5
127.07636	0.9
129.09233	7.2
131.71156	0.6
154.70436	0.7
183.64464	0.6
192.95898	1.2
197.15514	6.9
209.15466	4.8
211.17000	1.2
221.15437	1.3
223.22490	0.5
225.14876	1.2
227.16515	19.6
239.16496	14.0
257.17624	0.7
293.21176	2.5
321.24341	2.4
339.25363	3.0
357.06119	0.7
357.26492	100.0
358.26938	1.0
361.96732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
59.86890	0.8
61.98838	8.8
71.01390	1.5
72.99305	1.7
74.02409	0.7
75.00865	100.0
79.76411	0.9
89.50408	0.8
89.87209	0.7
92.65001	1.0
96.95988	6.4
98.85567	0.7
109.06546	0.9
119.05018	20.9
121.02937	3.5
130.08728	6.1
130.51503	0.7
132.05861	1.1
136.07643	1.1
145.02965	2.8
151.02722	6.1
152.03513	7.8
162.05573	4.0
167.07109	1.6
171.10205	1.2
194.04678	0.8
201.11377	1.6
211.53757	0.8
217.00328	1.6
235.50266	0.9
235.61777	0.9
257.03302	1.2
264.40005	0.9
282.11356	27.0
296.28290	0.9
311.33206	0.8
321.00656	6.1
322.00824	3.7
322.17636	1.0
323.00238	8.7
358.14685	1.9
358.22299	3.3
358.64862	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.3
61.98840	100.0
64.25659	0.2
64.34376	0.2
66.46211	0.2
66.51860	0.2
66.54844	0.2
67.35402	0.2
79.33408	0.2
110.05573	0.2
116.14520	0.2
193.99113	0.2
350.70001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46329	0.2
54.02878	0.2
54.64349	0.2
59.01384	0.5
61.98832	100.0
134.89488	0.6
138.01987	0.3
139.02791	0.5
159.40707	0.3
170.87601	0.3
198.57544	0.3
297.24301	0.3
297.55051	0.2
298.24585	0.4
306.64105	0.3
358.24011	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	358.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45387	0.2
59.01411	0.5
61.98843	100.0
64.15671	0.3
67.36211	0.2
71.49073	0.3
91.86418	0.3
92.11819	0.6
97.03223	0.3
116.92889	0.3
234.41096	0.3
282.40192	0.3
299.20105	2.8
300.20502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	83.5
61.98822	100.0
77.40198	18.5
92.65345	20.9
99.96233	22.4
113.28941	20.5
116.92931	21.1
153.92921	20.0
178.75281	19.5
195.42325	21.3
230.03496	19.6
276.21793	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82274	0.2
55.58555	0.2
57.11193	0.2
57.71520	0.2
59.01388	100.0
61.98848	0.4
103.61190	0.2
116.92879	0.2
134.89484	0.5
174.61342	0.2
203.67084	0.3
268.07782	0.2
296.25964	0.2
298.27698	0.5
299.55521	0.3
365.05817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.49314	0.5
70.99667	0.5
73.02946	0.6
79.59849	0.5
79.69997	0.6
80.88882	0.5
106.13350	0.5
114.98849	6.3
116.92884	0.8
117.00493	0.5
125.49753	0.5
132.98207	2.3
134.97079	0.9
144.52615	0.6
156.90842	4.8
156.99937	13.0
157.03563	0.8
159.01453	3.8
172.93568	1.3
174.99246	21.5
176.98119	2.1
198.91924	5.4
201.02580	21.9
202.02597	0.6
215.04158	1.2
216.92523	8.8
217.00308	61.8
274.88849	0.8
274.93405	0.8
276.98215	1.0
292.28235	0.6
295.45255	0.6
299.01184	3.3
355.29611	0.7
358.94049	0.8
359.01443	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	359.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15138	0.2
59.01389	2.5
59.98264	0.2
64.22246	0.2
66.03486	0.2
68.99812	0.3
71.01381	1.1
72.99303	5.5
78.95878	0.2
79.43797	0.2
83.05075	0.2
85.02946	0.5
86.61056	0.2
89.02401	0.3
95.01384	25.0
96.96003	0.5
96.96940	0.3
101.02412	0.4
107.05038	0.9
110.02489	0.3
111.29088	0.2
113.02420	0.4
116.05018	0.4
122.02475	4.6
123.00878	100.0
123.10898	0.2
124.01241	1.5
138.03221	2.9
153.05573	0.8
166.99942	0.5
175.10013	0.2
182.02261	1.8
197.04559	3.8
199.27148	0.2
203.08311	0.3
230.08528	0.4
235.04738	0.3
272.11996	1.4
323.13556	1.4
359.15222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45153	0.2
59.01389	1.4
61.98837	100.0
63.98782	0.2
85.35564	0.2
90.33704	0.2
96.95998	0.4
121.02926	0.2
134.04713	2.8
135.05156	0.8
162.05615	0.3
166.12581	0.2
209.04492	0.2
217.00343	0.2
320.73682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0987
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
52.52514	1.1
58.00592	2.0
59.01385	100.0
61.98830	2.5
70.36671	1.3
71.01382	42.7
72.99290	2.7
78.02225	1.2
83.01390	2.5
85.02948	8.2
89.02439	38.0
95.01362	2.6
101.02422	19.8
102.32867	1.5
113.02446	16.5
119.03511	11.9
119.04989	2.2
121.02926	7.6
122.43291	1.3
123.00835	2.2
137.02420	9.3
138.03214	1.7
139.00369	2.7
139.04024	5.0
153.05562	11.5
165.01967	1.7
179.05688	1.8
180.04268	1.6
181.01462	3.4
182.02180	9.8
183.02980	2.0
191.22290	1.5
196.03777	5.9
197.04573	43.7
197.06340	2.9
211.06194	10.5
211.07922	1.7
214.96382	1.4
217.00304	5.8
224.03294	3.2
239.05597	27.0
299.07788	2.5
299.11478	2.5
344.07501	1.4
359.05576	3.1
359.09866	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01898	1.2
58.00603	1.4
59.01392	100.0
61.98847	1.3
68.06479	0.9
71.01386	33.0
72.99298	2.2
85.02516	1.1
85.02942	9.5
89.02440	33.5
95.01380	2.4
96.96022	1.2
99.00865	1.0
101.02425	17.3
113.02441	12.4
119.03502	13.3
119.05005	9.0
121.02941	6.6
123.00835	2.3
137.02441	6.0
137.06020	1.4
152.91798	1.3
153.05576	6.3
161.04514	2.0
161.33450	1.1
165.01866	1.8
166.99857	2.2
172.99872	1.2
174.99091	1.3
181.01448	5.1
182.02278	2.8
194.92824	1.7
194.95474	1.3
196.03882	2.4
197.04561	22.9
201.02657	1.3
211.06136	2.8
212.94048	1.6
217.00348	6.0
224.03198	1.8
224.13699	1.3
239.05588	14.7
269.06635	1.8
299.07959	2.3
299.11346	5.8
359.09827	50.6
382.13007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00278	0.8
54.82808	0.9
58.00587	1.9
59.01385	100.0
59.54462	0.7
71.01381	60.3
72.99309	2.2
74.39095	1.1
80.52149	1.1
85.02934	6.1
89.02439	72.3
92.11767	1.7
101.02412	2.5
113.02429	4.1
119.03457	1.2
131.03476	6.3
132.25279	1.1
147.11789	2.4
149.04565	11.0
156.67482	0.9
161.02466	1.2
161.30013	1.0
163.82550	1.0
165.12856	1.8
209.11847	37.1
253.07326	1.3
359.17172	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	2.2
59.01386	100.0
71.01379	50.7
72.02850	0.9
72.99309	1.8
81.41372	0.9
85.02930	4.4
89.02436	75.8
92.11674	2.1
101.02459	7.3
113.02435	6.4
118.87804	1.1
119.03506	1.7
131.03499	7.5
149.04549	11.1
165.12920	1.3
170.65311	1.0
186.61885	0.9
209.11858	13.4
231.53514	1.0
296.76599	1.3
345.34338	1.1
359.17148	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.7
61.95543	1.3
89.68000	1.2
93.82333	1.4
109.60625	1.1
116.92867	2.4
134.89490	1.8
136.89278	1.5
179.18660	1.2
231.21184	3.0
233.22751	5.4
277.21716	100.0
336.77505	1.5
359.22052	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66639	0.4
56.70122	0.4
56.90696	0.4
59.01385	23.9
60.98602	0.4
64.16585	0.5
71.71296	0.4
74.37042	0.4
80.10803	0.4
92.12301	0.7
115.51772	0.4
143.30766	0.4
147.67862	0.5
163.12093	0.5
167.56941	0.5
169.13242	0.4
190.60561	0.5
233.22617	0.7
255.55057	0.5
275.20212	0.5
277.21738	100.0
278.22043	2.3
299.13760	0.6
309.70471	0.5
359.18176	0.7
359.22061	21.2
359.26599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57647	0.5
56.85593	0.5
59.01377	2.8
61.98836	100.0
64.28805	0.5
92.77004	0.5
99.07345	0.5
102.06804	0.6
102.63113	0.6
116.19667	0.6
123.04437	0.6
165.56693	0.5
171.10251	1.0
201.11250	0.8
217.00339	0.6
248.54510	0.5
360.20892	0.9
361.79816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85184	0.2
52.43646	0.2
59.01398	1.0
61.98835	100.0
71.01399	0.4
71.05034	0.2
72.02612	0.2
74.02474	2.6
80.27625	0.2
85.97803	0.2
103.49420	0.2
104.03558	0.2
111.93108	0.2
171.10342	1.1
201.11346	1.9
202.11774	0.4
213.11357	0.4
218.42053	0.2
270.66531	0.2
271.15543	0.3
359.21063	1.2
360.20862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97204	0.3
54.83031	0.4
59.01382	0.6
61.98832	100.0
68.36410	0.4
73.26135	0.4
123.85435	0.4
139.38022	0.4
186.48827	0.5
264.53796	0.5
299.26611	0.4
318.62122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
70.21571	0.2
103.87154	0.2
110.60877	0.2
112.15795	0.2
116.94086	0.2
262.43948	0.2
303.99051	0.3
309.28601	0.2
335.63297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
57.03439	1.5
58.00616	0.4
59.01110	0.4
59.01379	7.9
59.45031	0.2
61.98812	1.1
63.69176	0.2
71.01379	3.5
72.99262	0.3
79.95716	0.3
83.05005	1.5
85.02922	1.1
87.00847	1.9
89.02444	2.8
91.15682	0.2
95.01409	0.3
96.95998	16.2
101.02426	1.6
111.04469	0.9
111.08139	0.2
113.02457	1.4
117.03457	17.1
119.03498	1.1
119.05016	6.0
119.08635	1.0
121.06586	1.0
123.08147	3.6
133.06569	0.9
137.09680	0.5
139.07649	1.6
145.02954	100.0
145.10301	0.4
146.03326	0.3
159.04507	0.5
161.06094	1.6
163.04012	7.0
167.03497	0.3
169.08762	0.3
169.10229	0.4
171.11801	4.2
177.05519	0.4
183.06630	0.4
187.04028	2.6
189.11325	0.3
189.12798	1.8
192.65527	0.2
199.09700	0.4
201.12868	0.6
205.05107	1.3
207.13931	1.2
211.32489	0.3
219.13913	0.3
221.08195	0.3
235.06219	0.4
237.14993	4.0
252.36063	0.3
265.07202	1.5
265.56625	0.2
275.93649	0.3
281.13922	5.8
325.09293	22.9
361.09705	20.3
361.15002	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	361.072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52857	1.0
59.01388	12.0
61.90035	1.0
61.98837	6.0
66.03498	1.3
69.71747	1.1
71.01378	3.0
72.00909	3.0
72.99300	4.9
74.02473	7.9
75.00854	1.8
82.95451	1.4
85.02933	1.7
86.19707	1.1
89.02415	2.2
92.12329	1.8
96.95973	2.0
99.00854	2.0
102.14935	1.2
110.02483	2.4
111.00846	1.8
111.02027	1.7
111.02804	2.3
116.05048	24.7
116.92844	1.8
125.02443	1.2
130.06613	94.0
141.98207	9.9
142.06633	5.6
159.09265	1.5
174.03922	1.2
187.98721	4.6
203.08292	12.7
213.03461	7.6
246.04549	6.4
255.04610	5.0
259.04031	2.9
301.05072	100.0
302.05319	1.4
323.13538	6.9
325.09531	1.4
346.59961	1.2
361.06808	1.9
369.80661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83798	0.4
52.29153	0.4
59.01378	3.1
59.27763	0.5
61.98832	1.1
63.97005	0.4
67.26583	0.5
70.30495	0.4
71.01377	2.1
72.00893	1.0
73.02943	62.0
77.02213	0.4
78.95894	5.4
87.12357	0.4
88.67484	0.4
89.02431	1.2
89.66738	0.4
93.03454	0.7
96.96934	0.6
99.00856	5.8
99.92605	1.9
102.96806	0.4
106.38385	0.4
110.98537	0.6
116.92249	0.7
116.92846	27.4
117.01929	100.0
119.05000	2.3
133.01511	0.9
134.04727	3.5
135.05063	2.1
157.21550	0.5
161.14275	0.6
163.04015	2.4
168.43803	0.4
179.05612	0.6
180.06668	10.3
181.07042	3.0
325.11621	0.6
361.07648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98404	0.7
57.03444	5.7
59.01380	10.9
61.98828	4.6
71.01384	3.5
79.95733	1.0
83.05020	7.0
87.00864	8.4
89.02453	1.3
96.96003	77.1
101.02425	1.0
111.04496	3.8
111.08158	1.0
115.68134	0.7
117.03465	1.4
119.04986	1.2
119.08736	0.9
121.02936	1.5
121.06602	1.8
123.08148	12.1
137.09749	3.2
139.07623	4.1
145.02954	10.1
151.07657	1.0
153.09312	1.1
153.99110	1.3
162.05724	1.0
163.04019	1.4
169.01442	11.1
169.10242	2.0
171.11798	12.6
177.05579	0.9
178.06364	1.4
181.08708	1.4
184.03723	5.8
188.04941	1.5
189.12860	7.0
199.06133	4.7
199.09714	1.3
201.12892	5.2
207.13924	2.1
219.13950	1.2
221.08067	6.1
229.52190	0.9
237.14987	15.5
265.07178	3.6
281.13968	21.7
325.09253	3.4
361.09723	100.0
361.14618	4.9
362.10031	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	361.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01378	1.8
76.78687	0.4
79.95728	1.0
83.05044	0.9
88.02274	0.4
95.03056	0.4
95.05030	0.5
96.95998	100.0
101.53939	0.4
111.08198	0.4
124.05299	0.4
139.07652	2.6
171.11696	0.8
181.87389	0.4
189.12723	0.4
207.13998	0.5
219.13953	0.9
228.04306	0.5
233.58678	0.5
237.14972	4.4
281.13995	2.3
361.09653	47.4
362.09863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1659
Annotation	Thyrotropin releasing hormone
Peak:m/z	Relative Intensity
57.03446	1.2
59.01369	5.3
61.98820	3.1
69.90714	0.6
71.01361	1.5
71.05014	1.0
83.05003	5.6
123.59330	0.7
132.08907	0.8
133.06570	3.1
146.07341	1.0
171.10303	1.0
173.69521	0.8
177.12788	1.7
185.09547	0.8
203.10887	1.1
203.14449	3.5
229.12219	1.5
248.11766	0.9
273.18591	10.4
289.17993	1.2
299.16644	1.4
317.17636	9.8
343.15439	0.9
361.16605	100.0
362.16724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2025
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
50.06899	0.3
52.48403	0.3
56.97114	0.3
59.01382	3.5
61.98830	0.9
66.78130	0.4
71.64853	0.4
78.37637	0.3
79.48866	0.4
79.95718	0.9
81.60485	0.3
83.14221	0.4
119.05019	2.8
121.02921	0.3
137.16595	0.5
163.03984	3.9
174.99138	0.6
217.00204	0.4
227.14418	0.6
233.15417	0.6
257.19116	7.2
259.29849	0.5
261.31302	0.4
279.23361	0.7
285.18622	23.4
325.20078	0.6
361.20248	100.0
362.20520	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
61.98832	1.3
63.72597	0.5
68.40207	0.6
74.68513	0.5
79.93594	0.5
84.69455	0.6
88.41014	0.5
112.34676	0.5
116.92783	1.3
118.81274	0.5
174.01553	0.5
189.09398	0.6
189.68254	0.6
192.80789	0.6
237.72964	0.6
265.21725	100.0
266.21970	5.3
279.23212	3.3
301.16794	0.8
361.23920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24737	0.8
56.02341	0.8
57.03453	1.4
58.00592	2.5
59.01387	7.7
61.98821	4.0
71.01378	5.2
79.94174	1.1
85.61543	1.0
89.02421	1.6
125.09713	5.8
127.11274	6.6
132.28670	1.1
135.08127	1.3
139.11263	1.6
141.09160	1.4
141.64507	0.9
151.11322	1.8
155.10753	1.6
167.10719	1.4
169.12334	1.7
171.10262	100.0
185.11810	11.9
195.10376	4.7
199.09785	1.7
201.11330	51.9
202.47444	1.0
213.11327	85.2
223.13437	6.9
231.12367	37.8
296.19174	1.0
307.19040	1.8
325.20114	4.0
361.22159	2.0
365.32239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.4
58.00600	2.9
59.01393	11.6
61.98839	5.7
67.16130	1.3
70.17838	1.2
71.01362	2.8
72.76599	1.5
73.02967	1.9
87.04462	1.5
97.06582	1.6
109.06571	1.5
119.06349	1.2
120.74310	1.1
125.09717	11.5
127.11274	7.8
137.09666	2.1
141.09151	2.4
145.07770	1.5
155.10771	1.8
171.10265	95.0
174.99155	1.6
185.11819	19.8
195.10219	6.2
197.11787	2.1
201.11340	85.0
213.11324	100.0
231.12369	35.7
243.12393	2.6
244.35962	1.4
289.17883	1.8
307.19272	7.1
325.20337	7.8
334.11209	1.7
364.95764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39306	0.5
55.01910	0.6
55.16452	0.6
55.97467	0.6
57.03458	1.6
58.00595	0.7
59.01396	7.7
60.12803	0.6
61.98845	1.6
62.96432	1.3
71.05027	10.0
73.02953	1.2
75.07974	0.7
81.03448	1.1
83.05032	17.2
85.37801	0.6
87.04507	4.1
87.98574	0.6
92.65611	0.8
95.05026	1.7
97.02949	10.2
97.06585	0.8
106.04218	0.8
111.08153	4.1
114.39042	0.9
119.05036	0.7
123.08163	4.2
125.09736	2.5
127.11268	4.7
127.91503	0.7
133.06563	0.7
135.08125	3.7
137.09694	0.7
141.09259	0.9
149.09720	7.0
153.09254	1.2
155.10800	1.3
165.09212	0.9
167.10783	4.2
167.65979	0.7
171.10278	85.8
185.11931	1.5
187.11507	0.7
199.09769	1.1
201.11357	15.9
203.14458	3.7
209.11789	1.0
211.13393	1.4
213.11340	0.9
221.15523	1.4
229.14447	6.5
235.13268	1.0
237.15024	2.3
247.13385	5.9
249.14958	1.0
255.16066	5.6
265.14484	27.3
266.14764	1.3
273.17050	15.6
343.21295	2.8
361.22363	100.0
362.22833	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92543	0.4
54.23666	0.4
54.82749	0.4
57.03461	7.1
58.00589	0.8
59.01384	6.8
61.98815	2.3
62.36744	0.4
62.96418	4.9
71.01384	0.7
71.05019	3.5
72.87759	0.5
73.02904	0.6
80.97462	2.6
81.03452	2.6
83.00844	0.6
83.04520	0.7
83.05025	20.9
85.02938	2.4
85.06638	1.0
87.04510	8.8
95.04997	3.9
96.96011	1.2
97.06606	1.1
99.04529	0.6
101.06066	9.6
106.04239	0.5
115.07594	0.6
117.03476	0.8
123.08148	3.0
124.05293	3.1
125.09689	1.0
127.11291	3.3
135.04477	2.2
135.08145	2.5
141.09198	0.7
145.02982	3.3
153.09225	2.4
155.10760	1.2
161.02402	1.0
165.09218	0.7
165.12852	0.8
171.10265	35.6
179.03510	0.7
201.11357	8.8
209.11877	0.7
213.11261	1.0
229.14375	0.9
235.13417	0.6
237.14929	9.5
245.23955	0.5
253.14186	0.5
255.15918	1.1
273.17145	8.0
286.17612	0.5
325.17572	0.9
343.21246	1.1
361.10312	2.4
361.22363	100.0
362.22577	2.2
373.74918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43938	0.3
54.03777	0.3
54.63997	0.3
54.82435	0.3
59.01387	20.5
59.70232	0.3
63.89242	0.3
67.19036	0.3
104.80891	0.4
124.43509	0.4
156.52541	0.4
170.63809	0.4
215.70062	0.4
247.23170	0.4
279.23294	100.0
280.23721	0.4
336.34015	0.4
361.23624	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	361.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74824	0.1
59.01390	100.0
60.01722	0.3
61.98827	0.2
100.75900	0.1
149.09769	0.9
190.85974	0.1
263.20465	0.2
279.23471	0.1
286.38751	0.1
293.90939	0.1
325.22037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03862	0.3
58.14797	0.3
59.01389	100.0
59.48367	0.2
60.01725	0.7
61.98817	1.0
97.91458	0.3
102.05608	0.5
116.92847	0.4
126.99202	0.3
236.73921	0.3
251.52168	0.3
279.23459	1.3
301.76682	0.4
332.51361	0.3
361.29858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00065	9.6
59.01379	25.1
61.98851	100.0
63.06321	7.8
67.38474	8.7
88.11681	10.4
96.95992	17.5
138.76157	10.6
141.26718	9.7
149.01189	56.7
164.03549	44.6
284.76172	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	362.255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97475	0.3
58.73009	0.3
61.98834	100.0
67.38042	0.3
71.63052	0.3
116.92862	0.9
187.76021	0.4
253.25548	0.4
280.27234	0.4
292.32867	0.3
326.28027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32017	0.7
54.82468	0.7
57.03451	2.1
59.01394	49.2
60.80427	0.7
71.01390	20.2
72.99307	4.9
73.02975	1.3
83.01388	1.4
83.84853	0.8
85.02945	4.9
87.00864	1.9
89.02441	20.1
93.03426	1.0
95.01367	1.3
96.95988	2.0
99.04502	12.3
101.02446	12.2
107.05029	1.0
113.02473	8.8
119.03494	5.9
119.05022	3.9
145.02968	1.4
161.06032	1.1
163.04030	1.7
183.10263	48.4
201.11346	17.9
212.09233	0.9
234.30885	0.8
235.06157	1.4
303.12415	1.1
363.13010	3.5
363.16656	100.0
364.17093	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45651	0.7
55.01874	1.6
55.92069	0.6
57.03445	4.7
58.00587	1.0
59.01385	46.4
62.59554	0.6
66.02837	0.7
71.01379	20.1
72.99302	1.4
73.02934	1.4
75.00861	1.0
76.93656	0.7
83.01385	3.3
84.02158	4.2
85.02941	9.6
87.00860	3.4
87.04507	3.8
89.02432	13.6
101.02422	11.5
113.02445	7.0
113.09692	3.9
119.03497	5.0
127.11258	4.1
135.08171	1.5
137.09712	13.1
139.07643	3.8
139.11276	9.2
155.10767	18.1
159.10286	1.0
171.10367	0.9
171.11780	1.4
175.03793	1.3
183.10237	7.2
189.12794	1.0
201.11349	46.1
201.62733	0.8
219.13972	1.0
237.15028	1.8
255.88362	0.8
276.24689	0.9
281.14017	5.6
303.12155	11.6
363.16656	100.0
363.23993	8.1
364.16992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98577	0.1
58.73689	0.1
61.98837	17.1
63.49855	0.1
66.30217	0.1
69.03455	0.1
85.02946	1.0
86.40076	0.1
92.91411	0.1
93.03450	0.3
97.06562	0.3
117.03451	0.2
119.05022	100.0
120.05328	1.3
126.20386	0.2
137.09760	0.2
144.04509	0.3
144.63121	0.1
145.02988	0.7
146.06075	0.2
154.30367	0.2
162.05695	0.2
169.80824	0.2
171.10281	2.4
183.13870	0.2
193.49150	0.2
209.11888	0.3
211.13440	1.9
217.13594	0.2
221.11806	0.3
221.33348	0.1
229.14453	1.4
239.12976	0.2
277.37329	0.2
291.19681	0.3
307.04880	0.1
327.21817	16.0
328.22165	0.3
363.17203	5.1
379.97202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12518	8.6
55.29952	10.9
59.01386	100.0
60.01715	9.5
61.98824	17.8
63.15774	9.5
64.51828	9.0
74.84704	9.4
86.91801	10.9
116.92840	60.0
149.09627	12.0
155.50212	11.8
168.13928	21.5
187.32387	10.5
281.24707	59.5
363.25378	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95745	4.0
59.01397	18.1
61.98843	11.5
63.88548	4.3
78.60667	4.9
82.60921	5.1
116.92822	11.6
116.97258	6.5
118.24152	5.3
128.01065	4.8
149.09712	100.0
161.53664	5.9
163.11305	84.1
253.61548	6.3
281.24750	7.5
325.21808	99.5
327.22278	7.0
353.36383	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	363.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31356	0.5
57.41569	0.5
58.00595	0.8
58.97196	0.5
58.97478	0.5
59.01381	6.5
59.56648	0.6
61.18204	0.6
61.98825	0.8
65.07921	0.6
71.01378	5.4
73.02928	3.9
84.02180	0.7
84.54188	0.7
99.08115	1.0
103.71829	0.7
104.43422	0.6
113.09714	1.4
120.96253	0.6
125.09745	5.2
127.11250	2.9
129.09241	4.4
138.66295	0.7
141.09227	6.5
143.10818	1.0
144.32301	0.8
151.11229	1.1
153.09204	2.5
155.10762	1.4
171.10263	37.7
176.03430	0.9
183.10030	0.7
185.11850	6.5
185.14346	0.7
195.10274	0.8
197.11882	2.8
201.09456	0.8
201.11340	25.7
202.11665	0.8
209.11841	0.9
213.11327	6.6
215.12944	1.0
233.13937	1.0
237.34424	0.7
253.18163	1.1
289.18222	0.7
309.20743	0.7
327.21808	13.9
345.22855	7.9
363.23911	100.0
364.24176	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	364.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98328	0.2
57.04126	0.2
59.01395	0.4
61.98842	3.1
65.32281	0.2
68.72009	0.2
71.56685	0.2
78.95901	20.1
79.95739	2.2
84.96222	0.2
96.96011	100.0
96.96957	36.4
156.56305	0.2
166.21207	0.3
199.30156	0.2
218.13087	0.2
261.53763	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28924	0.1
59.01391	0.2
61.98843	100.0
62.03080	0.1
68.88811	0.1
71.06491	0.2
73.60558	0.1
74.02374	0.1
85.02995	0.2
119.05024	18.3
120.05344	4.0
126.11747	0.1
134.03795	0.7
136.01720	0.2
149.06079	0.2
151.00430	0.7
164.01193	0.2
171.10254	0.6
219.47127	0.2
255.29744	0.2
301.07434	0.9
327.21719	2.1
328.22177	1.5
341.20557	0.2
363.17560	0.3
364.17709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24135	0.3
54.15104	0.3
54.96074	0.3
58.02994	0.5
59.01391	61.3
60.01723	6.2
61.01814	3.1
61.87225	0.3
61.98840	100.0
67.27927	0.3
68.22310	0.3
80.19115	0.3
89.72771	0.3
92.45338	0.3
102.05616	0.7
111.64298	0.3
116.72473	0.3
117.86281	0.3
122.75511	0.3
136.99095	0.5
161.06432	0.5
163.06070	0.5
168.13992	1.9
172.91615	0.3
217.07390	0.6
218.07359	2.9
219.06903	14.9
220.07147	9.0
286.14044	0.4
287.13275	5.4
288.13470	5.6
301.16797	1.4
302.16885	3.7
303.16510	20.3
304.16614	29.0
333.53250	0.4
363.27734	0.5
364.27863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	6.9
59.01389	3.0
60.99309	2.6
61.59282	1.2
65.82079	1.2
67.36994	1.1
68.01415	2.5
69.65916	1.2
72.00895	2.4
72.04533	6.0
74.02470	100.0
83.04996	1.3
84.04556	2.2
88.10049	1.4
90.66733	1.4
91.39731	1.3
104.03539	17.9
109.94566	1.4
168.13922	14.7
177.99802	1.3
182.15900	1.5
186.22018	1.5
259.20700	1.9
286.13910	1.8
288.23175	2.2
290.24866	2.4
302.24893	13.3
316.22910	20.2
334.23956	42.9
335.24286	2.2
364.25015	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.286
Annotation	Melophlin P
Peak:m/z	Relative Intensity
58.02985	0.4
58.81878	0.3
81.37352	0.3
87.00882	1.4
96.95959	0.5
100.07687	1.6
102.05599	100.0
116.92867	0.8
168.13882	0.4
228.29047	0.4
249.95999	0.3
252.24284	0.3
255.31412	0.3
277.21790	3.0
315.37286	0.4
364.28610	47.3
365.28864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2862
Annotation	Melophlin P
Peak:m/z	Relative Intensity
55.06247	0.2
58.02985	5.1
59.01387	0.5
78.03190	0.2
81.11160	0.2
82.02985	0.4
84.04543	10.3
85.02956	1.0
85.43764	0.2
100.07686	10.9
102.05605	76.6
103.05957	0.3
112.07679	0.3
168.13928	1.1
174.70068	0.3
261.22244	0.9
278.24960	0.5
279.23291	0.3
318.28036	2.3
320.29578	2.1
321.29855	0.3
346.27466	2.9
364.28629	100.0
365.28931	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1143
Annotation	N,N-Didesmethylgrossularine 1
Peak:m/z	Relative Intensity
50.11036	0.5
50.74489	0.7
51.30651	0.6
53.76579	0.6
54.82841	0.7
59.01395	69.5
60.02582	0.5
60.59909	0.7
66.89859	0.7
82.95416	5.5
92.11578	0.8
116.05063	0.9
119.05015	2.7
120.05383	1.5
127.04026	0.8
131.03781	2.8
132.02182	1.2
132.04546	7.7
133.02959	3.2
134.03725	19.5
135.04579	1.0
136.07617	0.8
138.52094	0.7
144.04547	4.4
146.02469	4.2
147.02106	1.4
147.03267	41.4
147.04424	1.4
148.04030	1.0
149.06094	8.2
159.03247	19.2
160.01897	6.9
160.04036	54.6
161.02429	0.7
161.04808	6.4
162.05646	3.7
172.04048	26.8
173.04837	10.3
175.04062	7.5
176.03539	1.3
187.05142	1.3
188.05980	2.9
189.06700	69.4
190.05145	1.1
190.07013	0.8
192.06676	9.0
203.05946	1.3
215.04607	5.6
216.05367	1.4
218.08205	1.1
227.04640	0.8
228.05368	0.9
282.11371	1.3
283.11597	2.6
287.87277	0.7
305.09772	0.7
323.30524	0.9
333.90079	0.6
356.87585	0.7
365.11450	100.0
366.11835	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	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34376	0.5
55.01891	0.7
57.03453	1.4
57.88459	0.5
59.01114	0.9
59.01388	18.8
61.98833	1.1
68.56913	0.4
68.99809	0.7
69.03423	0.6
71.01389	12.0
72.99319	4.7
73.02941	1.0
75.00868	12.9
75.28704	0.6
83.01398	0.6
84.02177	0.5
85.02949	14.1
87.00869	5.7
89.02432	3.7
92.12381	1.1
95.01362	3.3
96.95963	0.7
99.00876	7.6
103.00331	1.2
113.02444	13.0
115.00369	1.3
115.07645	100.0
117.01946	1.4
129.01958	0.7
175.02492	0.5
206.24547	0.6
231.04997	1.2
248.84239	0.6
249.06136	12.5
286.93094	0.6
347.13544	3.4
365.14560	65.4
366.15073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.0
57.03465	2.1
58.00619	0.9
59.01395	52.4
61.98851	0.9
69.37445	0.6
71.01390	21.8
72.99301	2.6
73.02953	0.6
75.00880	0.6
83.01406	1.9
85.02959	7.3
87.00854	1.2
89.02450	23.1
92.12350	1.3
95.01404	1.2
101.02448	15.6
111.00913	0.8
113.02442	9.1
113.09718	2.3
116.05031	3.2
119.03487	7.5
127.11281	1.3
128.05074	0.7
133.14983	0.7
142.06618	41.1
142.76892	0.6
145.02963	0.8
145.08698	0.8
146.08243	1.0
155.10774	3.9
157.12341	20.3
158.06085	3.9
171.13905	1.2
185.11783	1.2
186.05609	12.1
187.13385	2.1
199.13441	1.2
203.12923	54.2
204.06703	9.1
204.13246	1.0
205.41833	0.6
245.13931	0.7
307.13971	2.2
365.18192	100.0
366.11987	20.9
366.18533	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	365.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21972	0.2
55.01883	1.2
57.03460	3.4
58.00593	0.5
59.01392	41.9
61.98829	1.3
67.45347	0.3
69.47315	0.3
69.94319	0.3
71.01385	19.2
71.05018	0.4
72.99303	1.4
73.02936	2.4
73.68049	0.3
73.99159	0.2
83.01386	1.6
85.02467	0.6
85.02954	13.4
87.00860	0.6
89.02440	15.2
92.86186	0.3
95.01368	1.7
96.95989	0.4
97.06596	0.4
98.22678	0.3
99.00868	0.3
99.08144	5.5
99.43884	0.3
101.01773	0.4
101.02433	11.5
113.02439	6.7
113.09722	0.5
119.03489	5.3
127.11278	6.1
131.31053	0.3
139.11269	4.0
141.12874	0.4
155.10802	1.4
157.12337	18.7
157.65733	0.3
159.03355	0.3
167.10788	0.6
179.05666	0.4
185.11827	16.6
187.13339	0.6
201.11412	0.5
203.12909	41.4
204.13220	0.5
228.05666	0.3
365.18192	100.0
366.18619	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	365.21
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09885	0.2
51.40588	0.2
52.11212	0.2
55.55946	0.2
56.24946	0.3
58.00607	1.1
59.01384	4.5
61.98800	0.4
97.06602	0.3
98.68814	0.3
99.08146	6.1
127.07635	1.6
129.09218	6.3
141.13353	0.3
155.10765	0.6
169.12341	5.3
171.10257	1.3
181.12338	4.3
183.13921	1.3
193.12361	1.2
197.11855	2.0
199.13423	16.7
201.02550	0.5
211.13434	11.7
227.12901	1.1
229.14444	1.2
275.19983	0.4
293.21191	2.8
311.22241	2.5
327.21759	1.3
329.23364	100.0
330.23694	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	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77719	17.2
61.98824	100.0
80.55523	20.8
92.12348	28.8
102.80982	18.8
115.66120	18.4
140.35350	19.4
145.20383	19.3
218.32079	21.3
279.23553	27.6
304.93762	26.3
363.80557	20.7
365.24200	22.1
370.54831	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98845	17.7
65.72567	12.4
71.01370	16.7
77.93298	12.4
112.66793	13.2
197.19127	16.0
201.02579	33.2
269.21182	81.2
283.26392	29.3
299.59464	14.4
311.03293	16.9
365.26892	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83116	0.3
55.01880	0.5
57.03468	0.4
58.00618	0.3
59.01384	21.6
61.98851	0.4
62.62571	0.3
65.05536	0.3
71.01379	8.9
72.99310	2.6
73.02946	0.4
75.00883	3.1
83.01383	1.5
85.02939	3.9
87.00865	1.3
89.02437	7.0
95.01379	0.6
99.00845	0.4
101.02438	3.7
111.00875	6.7
113.02432	2.6
116.05040	9.1
119.03489	1.9
128.05060	2.0
130.06619	2.2
142.06622	100.0
146.28175	0.3
154.78429	0.3
154.99857	0.7
157.12347	0.4
158.06107	13.7
173.00931	1.8
186.05598	35.8
203.12967	0.5
204.06668	24.7
204.13300	0.4
237.06104	0.4
246.07693	0.6
266.91077	0.4
302.02051	0.4
343.66901	0.3
365.18222	1.4
366.11963	64.7
367.12274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.265
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
57.03454	0.7
58.02942	0.5
59.01363	0.6
60.99292	3.4
70.58195	0.6
72.00892	3.9
72.04543	4.9
73.97362	0.5
74.02468	100.0
83.04979	0.6
84.04530	2.4
92.11698	1.4
97.06587	0.7
104.02882	0.8
104.03535	21.4
110.68697	0.5
146.07549	0.5
261.22198	6.4
279.23215	0.8
290.25015	3.6
292.26398	3.8
304.26474	22.8
318.24396	20.9
336.25464	40.8
366.26501	86.3
367.26865	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	366.2656
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
51.43231	1.3
58.78085	1.2
61.98832	47.4
63.02282	1.0
67.05647	1.1
68.03745	1.4
84.00912	4.9
85.01675	2.9
90.03214	1.5
97.25977	1.4
116.92865	3.0
140.85536	1.2
160.87543	1.5
182.70970	1.4
215.43990	1.4
252.62752	1.5
254.73492	1.5
281.24817	8.7
282.25146	2.9
308.25946	6.2
309.24380	2.1
310.27454	2.2
311.26099	1.7
320.25943	1.7
325.68280	1.5
338.27039	50.5
348.25797	1.8
366.26550	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	366.3015
Annotation	N-octadecanoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
53.20018	0.4
54.82387	0.4
55.16078	0.4
58.02979	3.3
59.01367	0.4
61.98825	0.7
68.13361	0.5
70.37858	0.4
71.01369	0.4
76.17677	0.4
77.86375	0.4
81.09746	0.5
82.02957	0.6
84.01271	0.5
84.04543	10.1
85.02931	0.6
88.04023	2.9
89.04388	0.6
90.04558	0.5
90.87539	0.5
100.07674	8.1
102.05594	74.7
106.00326	0.4
116.92829	5.1
116.97255	0.7
175.22273	0.5
227.20142	1.0
263.23810	0.8
280.26508	3.0
285.15945	1.7
289.93997	0.5
296.54840	0.5
313.11838	0.6
320.29651	3.8
322.31174	7.9
328.27884	1.6
348.29077	4.7
366.30145	100.0
367.30264	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	367.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04501	0.6
52.25689	0.5
54.73925	0.5
55.01888	6.1
56.84404	0.6
57.03451	25.7
59.01378	3.7
61.98825	3.3
67.01894	0.6
71.01379	3.7
72.99295	1.4
73.02943	29.5
82.95364	0.9
83.01379	57.6
85.02943	6.8
87.00875	1.5
96.95999	1.5
98.81551	0.6
99.00865	20.3
101.02428	4.8
105.03454	1.6
111.00864	28.2
116.05092	1.0
116.96991	0.8
121.02934	4.4
126.33899	0.7
127.00360	100.0
129.01949	1.0
129.59683	0.7
130.53325	0.7
133.02979	4.6
134.03767	4.2
154.99841	2.7
169.76901	0.7
173.00990	5.3
173.02229	0.7
173.04526	0.7
189.00401	70.1
193.05113	3.8
302.78665	0.9
324.88193	0.8
367.10583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98829	1.3
63.02402	6.0
65.00330	9.0
65.39743	0.7
73.02934	1.8
80.02670	1.4
83.00575	0.8
83.01392	9.1
85.44612	0.7
87.09100	0.7
99.00848	0.9
107.01390	16.9
107.55069	0.8
108.02183	8.2
108.39920	0.8
111.10182	0.7
112.35932	0.8
121.02939	1.6
123.00877	0.9
127.00344	1.9
136.01680	8.9
138.03157	0.9
149.02431	8.5
151.00369	41.1
151.04073	1.1
153.05540	1.5
164.01151	14.3
164.04790	21.4
165.01857	1.3
169.01405	1.8
177.01901	3.5
179.07135	14.9
189.00359	3.5
196.00214	8.6
215.03484	1.5
221.18973	0.8
229.05125	1.2
232.78186	1.0
257.04358	0.9
316.05832	7.0
331.08252	100.0
332.08597	4.0
336.11743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15099	0.2
57.03452	0.3
58.36688	0.3
59.01385	4.0
67.01891	4.8
71.01377	1.1
72.99303	4.3
73.02921	0.6
75.00912	0.3
81.70364	0.2
82.43623	0.3
83.01387	4.9
85.02951	19.7
89.02416	0.6
90.02736	0.3
92.12420	0.6
92.52663	0.2
95.89227	0.3
99.00869	0.6
101.02435	2.3
102.27911	0.3
107.99121	0.3
111.00880	100.0
112.01221	0.4
116.05083	0.5
127.00364	1.0
129.01932	4.2
134.03731	0.6
142.06616	6.9
143.06999	3.6
148.12952	0.3
153.45605	0.2
154.99873	12.3
155.01845	0.3
158.06190	0.5
158.12686	0.3
173.00909	20.8
186.05684	1.9
187.05959	1.2
189.00449	0.3
193.05109	0.3
203.12971	0.6
204.06662	1.4
205.06998	0.4
205.85194	0.2
214.67268	0.3
222.49962	0.3
238.36406	0.2
366.11957	2.2
366.18466	2.1
367.12280	3.3
367.19000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1038
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
57.03460	0.6
59.01387	1.7
61.78315	0.2
71.01376	0.4
73.02950	2.2
77.53499	0.2
81.03465	0.2
82.44482	0.3
83.01385	2.1
83.05026	1.1
84.56847	0.2
85.02955	0.4
87.00890	0.3
89.03960	2.4
93.03458	2.8
99.00894	1.1
106.04225	0.4
111.04543	3.0
117.03460	11.0
127.00372	2.2
134.03741	100.0
135.04086	1.1
148.04947	0.3
149.06087	5.8
155.03519	2.8
160.84264	0.3
173.04541	3.0
178.02846	0.3
189.00424	2.5
191.05603	4.3
193.05066	70.9
194.05391	1.3
361.02579	0.3
367.10297	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	367.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
58.49888	0.1
59.01154	0.2
59.01392	2.9
60.99297	0.2
61.98836	0.1
67.01890	1.3
69.03443	0.2
71.01396	1.2
72.99292	0.3
73.02947	1.1
81.03452	0.2
83.01394	1.2
83.05025	0.3
84.94309	0.2
85.02950	11.8
87.00868	2.7
92.11741	0.5
92.65536	0.2
93.03448	5.5
96.95997	1.0
99.00887	0.4
99.04541	0.3
109.02939	0.8
111.00876	8.4
111.04524	1.9
119.05028	0.3
120.09522	0.1
121.02930	0.3
127.00353	1.2
127.03995	2.8
129.01929	0.8
134.03743	3.9
137.02472	0.2
143.64383	0.2
145.02943	0.2
154.99860	0.9
160.01634	0.6
163.04027	0.2
171.02980	0.3
173.00966	1.7
173.04529	2.1
175.03938	0.3
189.00409	0.8
191.05626	100.0
192.05975	0.2
193.05058	1.2
200.38928	0.2
237.07747	0.2
301.28903	0.1
316.37204	0.2
317.48175	0.2
364.54318	0.2
367.10513	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	367.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.8
59.01369	2.5
60.99301	1.3
61.98823	0.7
65.23788	0.5
67.01895	13.6
69.03463	4.0
71.01389	4.8
71.05000	0.5
72.99305	2.9
73.02944	3.1
81.03442	3.5
82.83939	0.5
83.01390	6.1
83.05031	1.4
85.02946	20.7
87.00875	9.7
88.98805	0.7
89.03954	1.0
93.03451	64.7
99.00861	3.0
99.04474	0.8
100.46816	0.5
101.02428	1.0
109.02923	1.3
111.00879	62.4
111.04511	12.3
113.02367	0.7
115.46156	0.6
117.03451	6.0
127.00396	5.1
127.03973	1.2
129.01941	4.7
134.03732	45.5
137.02431	5.5
149.06096	3.1
154.99881	6.2
155.03531	4.0
171.03084	0.7
173.00969	11.7
173.04547	71.7
175.03979	0.7
178.02730	0.6
189.00435	5.0
191.05623	100.0
192.05968	0.7
193.05061	23.1
367.10367	9.0
383.71906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11203	0.2
53.50196	0.2
53.83805	0.2
58.02980	0.5
59.01366	0.2
61.98837	100.0
67.23067	0.2
79.39893	0.2
131.73119	0.2
134.74892	0.2
154.39053	0.2
165.06384	0.2
168.13982	0.8
169.14355	0.7
170.14642	0.4
346.80621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2645
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.85699	0.2
63.68324	0.2
66.06240	0.3
72.55051	0.3
76.25552	0.3
89.98678	0.3
94.58776	0.3
98.32859	0.3
133.06575	2.4
143.93066	0.3
147.64481	0.4
149.09724	93.4
150.10075	1.7
185.72682	0.3
189.12845	0.6
205.15999	95.8
206.16359	3.4
367.26471	100.0
368.26779	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	368.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59309	0.2
55.87146	0.2
61.62222	0.2
61.98819	0.2
67.16742	0.2
79.32465	0.2
84.06183	0.2
92.12453	0.4
107.04993	0.2
112.28110	0.2
112.54904	0.2
119.05009	1.3
120.04539	2.3
132.04535	0.4
134.06125	2.7
144.04559	2.5
147.03285	5.9
160.04037	11.6
162.05608	100.0
163.05962	2.1
178.05037	0.3
179.56940	0.2
188.03523	6.1
206.04594	48.5
207.04941	1.3
252.98897	0.2
368.09894	16.7
369.10229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36427	0.2
56.64853	0.3
61.98825	1.1
68.22543	0.2
69.27402	0.2
76.29974	0.2
78.96661	0.3
119.05000	1.3
120.04527	1.6
131.59341	0.2
132.04541	0.4
134.06111	1.9
144.04539	2.8
147.03255	7.3
160.04030	12.0
162.05598	100.0
163.05930	2.4
163.18509	0.3
176.03658	0.3
188.03514	7.6
193.23230	0.3
206.04590	57.6
207.04916	0.4
368.09875	17.9
390.38623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	0.1
61.98833	100.0
65.39527	0.1
76.36636	0.1
92.11551	0.1
101.01743	0.1
113.49560	0.1
137.03369	0.1
137.74036	0.1
140.97070	0.1
158.25433	0.1
179.58386	0.1
199.12059	0.1
294.60281	0.1
378.85165	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	368.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82505	0.2
59.01389	0.6
60.99310	0.9
61.93578	0.2
61.98832	100.0
85.02984	0.2
85.03584	0.2
86.05735	0.2
88.98788	4.8
111.00870	0.2
119.05058	0.2
127.00409	0.2
130.77704	0.2
134.03732	0.4
149.06149	0.3
153.40636	0.2
160.04041	0.2
162.05568	1.8
171.10243	0.2
189.09377	0.2
201.51572	0.2
206.04663	0.7
278.10617	0.2
291.48001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2808
Annotation	(Z)-myristoleoylcarnitine
Peak:m/z	Relative Intensity
54.31162	0.8
57.03450	1.3
59.01376	1.7
60.99298	5.1
61.98835	2.2
68.30258	0.9
72.00896	1.6
72.04535	1.2
74.02470	100.0
76.55639	0.9
81.66013	0.8
83.05011	0.9
84.04541	1.6
84.95290	0.8
90.68871	0.9
94.92530	1.0
96.07568	0.9
104.03531	19.4
111.08070	1.0
116.92814	1.7
126.72829	1.0
163.11285	46.9
179.10786	8.9
193.12398	8.0
251.20047	2.1
263.23782	5.7
271.22964	1.6
272.93692	1.0
292.26486	7.4
294.28119	1.7
306.28073	29.3
320.25934	26.7
337.21695	5.4
338.27078	38.9
339.27267	1.2
358.74591	1.0
368.28061	84.3
369.24384	30.1
369.28378	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	368.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34753	26.7
59.01385	38.8
61.98819	100.0
72.83459	25.4
76.06191	29.0
84.64455	28.9
113.06496	25.5
116.92860	52.3
123.35008	29.0
143.17419	25.7
146.98749	29.1
371.69461	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3171
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
53.82594	0.1
61.98826	0.4
63.57100	0.1
70.27051	0.1
82.06612	0.1
83.50485	0.2
85.23930	0.2
92.11811	0.2
102.05598	0.4
116.55479	0.1
116.92852	0.4
126.02132	0.2
128.10826	0.3
130.08725	100.0
131.09045	0.2
131.21156	0.2
140.10808	0.8
166.59843	0.2
237.22231	0.2
239.23790	0.9
241.98927	0.2
254.24834	1.2
306.31650	0.2
322.31171	0.2
324.32736	7.9
368.31717	56.7
369.31949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03564	0.6
55.01883	11.1
56.08634	0.7
57.03195	1.4
57.03455	33.0
59.01375	4.6
67.01884	1.5
70.05427	0.6
71.01375	7.4
72.99315	1.9
73.02943	12.4
73.38580	0.7
75.00873	3.0
76.57875	1.0
83.01392	19.0
84.02174	2.0
85.02953	100.0
87.00887	1.5
88.98798	5.2
89.02488	0.9
91.07903	0.7
96.96940	0.8
99.00877	6.4
101.02444	8.3
105.68641	0.9
111.00878	27.8
117.01942	0.8
117.91253	0.8
119.05012	17.5
125.02418	0.8
127.00338	13.4
129.01932	32.7
133.01387	0.8
142.99896	0.8
145.03036	0.8
147.02994	1.4
149.36804	0.8
161.04515	3.3
162.05577	9.4
163.04016	11.7
163.05917	6.7
179.05548	0.8
187.02344	1.0
189.00403	8.8
205.03540	22.4
206.04573	3.6
207.01396	1.3
207.04874	2.0
223.04625	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92636	0.8
55.01880	8.5
57.03192	1.6
57.03455	36.5
59.01387	5.2
61.89149	0.9
61.98849	1.0
71.01388	10.2
72.99311	1.4
73.02954	7.2
73.24900	1.0
75.00871	1.3
75.22558	1.0
83.01381	18.0
84.02168	1.9
85.02947	100.0
87.00881	1.5
96.95980	7.0
99.00867	3.6
101.02421	6.5
111.00871	27.3
113.02489	1.0
116.92902	3.6
118.28751	0.8
119.05010	19.8
127.00374	8.8
129.00993	1.8
129.01932	34.7
134.03795	3.8
139.75407	1.0
145.02980	1.6
145.06624	1.0
160.04059	1.9
161.04570	1.1
162.05608	5.4
162.83917	16.1
163.04007	12.1
163.06029	1.4
172.66713	1.0
187.02441	1.6
189.00406	8.6
205.03532	21.2
206.04596	2.2
223.04626	28.1
249.84799	1.2
265.53812	1.2
369.12350	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1345
Annotation	Fargesone C
Peak:m/z	Relative Intensity
52.35846	0.3
52.38732	0.3
54.82146	0.4
57.03443	0.8
59.01386	21.8
61.98819	0.8
63.28828	0.3
74.02481	0.3
74.85123	0.3
74.96179	4.4
76.62938	0.3
93.03447	0.8
95.04957	0.4
113.09725	2.2
117.03458	100.0
118.04242	2.0
119.05016	0.5
121.02946	48.5
122.03262	0.4
123.04523	13.5
133.02950	13.3
134.03734	3.2
139.11275	4.8
143.73575	0.4
145.02950	5.0
149.09772	0.4
162.03224	22.4
171.10255	3.3
177.05554	2.9
193.08478	0.5
197.07234	0.7
203.83870	0.3
223.13455	0.6
228.00978	0.4
229.06039	0.7
247.20744	0.4
255.06656	0.4
270.08926	0.8
274.31613	0.5
285.11417	1.9
287.22272	1.9
293.21259	6.6
295.09793	0.7
311.22272	0.4
315.19455	30.0
325.14554	4.9
333.20621	0.5
351.16998	2.1
369.13495	31.7
369.18152	7.5
370.13873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60336	0.1
55.01883	0.4
57.03444	1.0
59.01374	0.4
71.86745	0.2
73.02941	60.9
73.12635	0.2
74.03276	0.3
83.01370	0.7
85.02951	2.5
89.02416	0.2
94.85583	0.2
97.72356	0.2
99.00870	6.9
99.92583	0.4
102.70785	0.2
107.00871	0.2
111.00846	0.3
116.92090	0.3
116.92850	5.6
117.01929	100.0
118.02253	0.2
120.42400	0.2
129.01926	1.1
162.05621	0.8
163.05919	1.1
205.03517	0.5
206.04617	0.3
207.04947	0.4
218.28108	0.2
223.04607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.6
58.84682	0.1
59.01395	1.5
61.98843	100.0
63.31322	0.1
71.01392	0.9
71.02164	0.1
72.99347	0.2
73.02972	0.2
83.01405	0.9
83.04229	0.1
85.02956	2.3
89.02440	0.2
94.58737	0.1
96.96008	0.6
99.00909	0.2
101.02455	0.2
104.84431	0.1
108.66334	0.1
111.00877	2.6
112.01240	0.2
113.01374	0.2
119.05022	1.5
127.00417	0.6
129.01970	0.6
145.03000	0.3
145.08739	0.6
151.86461	0.1
151.95439	0.1
154.99878	0.2
160.04108	0.3
160.83438	0.2
161.02460	0.2
163.04057	1.2
169.63861	0.1
173.00987	0.6
188.03734	0.2
189.00488	0.2
191.02055	0.3
223.04727	0.7
231.06696	0.2
237.08208	0.1
256.81403	0.1
286.22980	0.1
304.81668	0.2
307.14133	1.2
325.09573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16603	1.3
53.65044	1.1
56.40016	1.4
59.01379	2.9
71.01373	10.4
73.40418	1.3
74.11786	1.2
75.00864	6.2
76.57879	1.4
80.96506	23.2
92.11716	7.0
96.65786	1.2
96.95966	1.9
124.73431	1.4
125.09728	2.4
125.99352	2.1
135.64587	1.3
139.11311	1.5
165.01704	2.4
183.01224	2.8
190.58807	1.4
193.08560	1.7
198.07507	1.3
200.10664	1.8
200.77945	1.4
212.64267	1.5
213.87369	1.4
221.07928	1.8
222.08734	100.0
229.59589	1.4
249.22325	1.4
254.07687	15.9
293.21249	6.9
311.16794	6.6
311.22260	35.3
333.20502	82.5
369.17764	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	369.1816
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
51.75191	0.6
57.03454	1.0
57.92490	0.6
59.01384	2.5
61.98824	1.6
73.02897	0.8
73.60550	0.6
73.93425	0.7
84.17078	0.6
88.51086	0.6
92.76048	0.8
97.02932	1.5
99.08137	1.1
109.28972	0.6
112.04031	0.7
113.09720	1.1
118.57613	0.6
125.09653	1.2
127.11301	0.7
132.01842	0.7
139.11284	4.5
171.10249	16.2
174.05618	0.6
185.11855	1.6
193.08549	1.0
193.12321	4.9
201.11467	1.1
211.13379	3.8
293.21277	8.9
311.22293	27.9
315.19522	1.6
333.20255	1.0
369.18158	100.0
370.18481	0.7
386.43298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1816
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
50.67036	0.9
53.11902	1.0
57.03465	1.0
59.01381	9.1
64.34451	1.1
125.09723	1.7
139.11292	2.5
149.53899	1.2
151.66418	1.4
154.10091	1.5
161.31859	1.4
177.12862	2.7
195.13892	2.2
225.14011	1.4
232.50702	1.2
249.22220	1.3
262.11838	6.1
293.21228	78.3
311.22269	68.4
315.19504	6.9
333.20477	37.7
369.18149	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	369.1817
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
52.39385	2.3
55.54971	1.9
59.01380	5.3
80.85387	2.5
85.97623	2.4
93.81068	2.4
96.53893	2.3
100.35168	2.5
102.03979	2.3
138.55910	2.7
139.11259	4.4
171.10283	29.8
205.08688	2.5
265.19513	3.0
293.21280	3.4
311.22250	23.9
335.61856	3.4
369.18173	100.0
383.37610	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	369.2437
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
51.51250	0.3
57.22050	0.3
74.02081	0.4
74.02470	9.0
85.66667	0.3
92.11713	0.6
94.92471	0.6
104.02657	0.6
104.03487	0.8
116.92860	0.5
118.89965	0.5
133.10239	3.3
147.08162	0.8
161.09732	1.6
163.11285	100.0
164.11475	0.5
179.10779	21.5
187.11261	0.8
193.12338	23.2
251.20189	4.4
279.13773	0.5
280.14450	0.4
307.28305	1.6
320.26010	0.4
321.18207	0.4
321.26349	0.7
337.21786	15.2
338.27063	0.8
339.27347	2.3
368.28128	3.1
369.24380	72.3
369.28339	5.0
370.24570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02714	1.3
58.02981	22.8
59.53207	0.6
70.02600	1.2
70.02978	35.5
70.03358	1.4
71.02503	3.3
72.00928	0.7
87.05637	6.3
95.02491	2.5
96.00909	33.4
98.01221	0.8
98.19426	0.6
100.58475	0.6
107.76163	0.6
113.03568	19.7
114.01960	43.4
131.04626	21.6
137.77594	0.6
159.65450	0.7
171.10223	0.9
254.24890	50.3
277.21637	1.1
280.26508	6.9
295.22839	0.8
296.23032	0.6
298.20743	0.6
298.23740	5.8
307.27774	2.2
309.25616	0.9
325.28638	3.6
351.26550	61.2
352.26886	1.0
369.27600	100.0
370.27921	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	370.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.1
59.01385	5.8
61.98835	100.0
71.01383	2.2
72.99308	0.2
83.01377	0.3
85.02958	1.4
85.80218	0.1
86.03309	0.2
89.02446	2.5
96.96028	0.4
98.02478	0.2
99.00858	0.2
99.08154	1.9
101.02440	1.8
111.00883	0.9
112.01270	0.1
113.02451	0.9
116.82336	0.1
119.03535	0.9
120.05367	0.2
121.02955	0.9
127.07697	0.2
129.09225	0.2
131.03719	0.2
141.09195	0.1
144.04607	0.3
145.08698	7.0
146.06163	1.4
150.03323	0.1
164.04469	0.3
187.09866	0.2
187.57474	0.2
190.05139	0.9
223.04578	0.2
236.49136	0.2
243.54907	0.1
279.34653	0.2
288.02136	0.3
307.14011	15.4
310.21466	0.9
322.52234	0.2
370.23514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86200	0.4
54.09214	0.4
58.02980	1.2
59.01379	5.4
61.35654	0.5
61.98806	0.8
63.23536	0.4
70.02963	2.4
71.01382	18.9
88.04035	99.5
89.04337	0.6
96.99292	6.9
103.05625	0.6
114.01962	2.9
115.00362	21.5
115.92120	1.8
116.92067	0.7
126.60207	0.6
129.20303	0.6
132.03044	4.5
136.57063	0.5
176.91129	0.5
227.86380	0.5
254.24908	52.0
255.23297	30.6
256.23737	0.7
258.69742	0.4
280.26459	0.7
298.23907	7.4
299.24368	0.8
308.25974	3.2
326.27029	19.3
352.24905	2.5
370.26004	100.0
371.26376	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	370.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22102	4.7
53.02016	5.4
56.22033	4.9
58.65327	5.1
87.00867	12.8
88.04012	43.8
116.92845	13.6
117.84815	6.1
122.88249	6.8
125.09743	13.7
171.10265	100.0
179.80432	6.6
180.02859	6.4
182.11803	51.1
281.25018	24.5
288.79526	7.7
297.24380	89.7
306.24347	29.5
307.24765	35.6
311.22397	52.5
370.26025	37.1
370.34244	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	371.0984
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
50.13785	0.6
55.01881	1.0
56.75335	0.8
57.03458	1.6
57.78883	0.8
59.01392	19.5
61.98843	1.4
67.01885	0.9
67.17224	0.7
68.99816	3.4
69.03448	1.7
71.01389	17.4
72.99297	4.8
73.02962	1.6
75.00879	18.1
85.02962	21.0
87.00864	6.7
89.02428	4.0
95.01357	5.6
98.32194	0.8
99.00874	9.5
103.00315	1.0
111.00884	0.9
113.02447	16.1
115.00349	1.6
117.01922	4.1
120.14143	0.7
121.02949	100.0
122.03254	0.9
125.38928	0.9
129.01941	1.2
142.65237	0.9
175.02538	1.4
205.81471	1.0
231.05151	4.9
249.06157	53.8
336.52637	0.8
371.09842	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41541	0.3
53.19999	0.3
59.01374	0.7
76.57245	0.4
79.13258	0.4
82.05919	0.4
93.03428	1.8
108.02148	0.7
109.02953	66.0
110.03276	0.5
114.38527	0.4
121.02944	6.6
131.05020	0.5
134.05400	0.4
136.00644	0.9
136.01659	22.2
137.02483	0.6
144.96182	0.4
145.02951	5.4
146.03720	1.8
147.04564	0.7
149.02403	2.0
149.84834	0.4
151.04001	21.2
158.03706	2.2
159.04521	14.8
159.05775	0.8
159.10196	0.5
160.05298	42.5
160.82364	0.4
164.04814	2.3
173.64862	0.5
175.04018	1.7
175.07635	17.9
176.04741	0.9
193.06606	0.8
194.50447	0.4
197.06134	0.5
199.07686	0.5
211.07657	2.7
221.06107	2.3
222.06955	0.8
223.07628	1.7
225.05505	0.5
237.05550	0.7
238.06390	2.3
239.07159	21.9
240.07356	0.6
249.05548	3.8
250.06346	7.7
265.04990	0.5
266.06036	3.0
267.06641	100.0
268.07031	2.5
281.08136	0.9
282.08984	68.9
283.09357	2.6
297.11343	49.9
298.11630	0.7
312.10101	7.1
327.12411	59.6
328.12671	0.8
371.11383	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53513	0.4
55.37775	0.4
59.01390	4.5
62.02368	0.4
69.69860	0.4
80.66982	0.4
83.42451	0.4
92.12352	0.6
93.03411	2.0
102.56664	0.5
108.02175	1.7
109.02940	62.8
110.03311	0.5
110.99936	0.4
121.02934	5.6
123.04491	0.7
126.05553	0.4
136.00639	1.0
136.01645	20.4
137.02501	0.5
145.02963	6.2
146.03749	0.8
147.04500	0.7
149.02386	2.1
151.04001	20.5
158.03751	2.1
159.04510	11.5
160.05289	36.0
161.05626	0.7
164.04739	1.1
174.03162	0.7
175.04008	1.0
175.07632	18.3
189.05542	0.6
197.06184	0.6
204.04225	0.6
211.07617	4.3
221.06160	3.2
222.06905	1.7
223.07639	2.6
238.06447	1.0
239.07130	21.8
249.05582	3.0
250.06340	7.5
265.05075	0.7
266.05811	3.9
267.06622	100.0
268.07031	3.1
281.08197	0.8
282.08975	65.0
283.09314	1.6
297.11319	52.3
312.10138	7.6
327.12396	61.9
328.12793	1.7
371.11496	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	371.1349
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01880	0.9
56.92418	0.4
56.98289	0.4
57.03448	1.1
58.00599	2.4
59.01385	100.0
61.98834	2.5
66.91331	0.5
71.01380	32.7
72.99309	3.0
73.02956	2.0
74.82420	0.4
83.01383	2.8
85.02946	9.1
87.00825	0.6
89.02438	38.9
91.05514	0.9
95.01384	3.2
100.18292	0.4
101.02431	20.3
113.02444	12.4
119.03483	14.4
131.03445	0.6
149.04530	0.6
154.91545	0.5
161.04640	1.0
179.05632	2.9
191.07127	1.0
209.08261	0.6
224.88536	0.5
231.16136	0.5
371.13504	76.8
372.13660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	5.2
59.01388	30.2
61.08876	1.2
67.35961	1.2
73.50927	1.2
78.56159	1.0
79.40777	1.0
99.08153	23.2
100.18791	1.3
113.09690	1.6
127.07646	2.2
129.09218	38.3
183.13896	54.8
195.13921	1.4
201.11421	1.7
223.02817	2.4
223.13242	2.6
277.21872	3.0
295.22794	11.1
299.20160	1.4
311.22531	2.1
313.23901	81.7
317.20779	2.2
335.22195	16.9
371.19778	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	371.2191
Annotation	TMC-96
Peak:m/z	Relative Intensity
58.56999	0.3
59.01379	1.6
61.34978	0.2
61.98831	3.7
62.75555	0.2
66.68591	0.3
68.99579	0.4
75.03370	0.3
79.70576	0.2
80.05035	0.3
81.03453	16.8
82.06644	0.4
83.05025	64.1
84.05384	0.4
96.96001	1.1
100.07680	22.4
112.98596	0.3
121.03014	0.6
126.05637	1.6
127.03996	0.4
141.00092	0.3
142.72182	0.3
145.05052	0.6
156.04562	0.3
182.15526	1.1
199.18187	14.0
199.19995	0.6
200.18314	0.3
207.15143	0.4
225.16101	15.1
225.18286	0.6
226.14479	0.4
243.17155	36.4
244.17499	1.1
245.94867	0.3
264.59601	0.3
269.15146	4.1
309.21924	1.7
327.22812	1.1
335.19836	0.4
341.05719	0.3
353.17178	0.3
353.20868	12.0
371.21915	100.0
372.08578	0.4
372.22354	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	371.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72437	0.3
57.34524	0.3
59.01379	0.5
72.37400	0.3
74.75336	0.3
75.00865	100.0
76.57890	0.3
93.00925	0.4
124.52211	0.3
137.54402	0.3
150.28827	0.3
171.10283	1.4
277.21606	2.2
295.22800	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	371.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44454	0.2
59.01392	100.0
61.98840	21.1
61.99170	0.5
72.81699	0.3
77.43175	0.2
127.81730	0.2
139.52959	0.2
161.41594	0.2
171.10315	0.4
200.57986	0.3
371.18448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23980	0.1
55.37821	0.1
59.01107	0.3
59.01387	7.2
60.01710	0.2
61.34760	0.1
61.98835	100.0
69.39107	0.2
81.83812	0.1
128.19220	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	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
61.98843	100.0
76.56934	0.6
78.95905	12.5
91.74853	0.6
97.37658	0.6
192.95796	0.7
222.41122	0.8
289.21756	1.4
291.40784	0.6
328.22821	17.9
355.19998	0.7
372.21808	46.1
373.17816	5.7
373.22031	1.3
389.97903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65024	0.2
50.81292	0.2
57.88303	0.2
58.51470	0.2
59.01392	1.2
61.98836	100.0
65.12212	0.2
67.35415	0.2
97.32662	0.3
117.49402	0.3
121.02903	0.2
135.71158	0.3
149.52327	0.2
228.52361	0.2
260.99957	0.3
319.18280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84785	67.4
56.31733	62.0
61.70374	71.9
66.22687	67.7
75.30331	69.1
116.92833	88.1
124.94673	70.8
172.76526	78.1
175.85620	76.2
222.47713	100.0
307.63724	74.8
368.95743	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
61.98835	0.3
64.34290	0.3
72.99287	0.4
76.43797	0.3
113.54407	0.3
116.92857	0.6
144.76849	0.3
196.69095	0.3
221.65840	0.3
225.22253	0.5
241.73503	0.4
249.22375	0.4
251.23840	4.2
253.25388	60.4
254.25653	0.6
281.24872	1.6
297.24408	0.5
299.25946	100.0
300.26334	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	372.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03628	31.1
54.82269	36.8
59.01385	70.8
61.98817	68.7
71.90276	36.0
80.65358	39.4
92.65255	47.7
94.64814	54.0
96.65079	40.6
99.92559	90.7
116.92827	79.8
118.89983	92.5
155.14107	37.5
253.21709	100.0
258.83176	46.7
372.11636	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89894	1.0
55.01878	3.6
57.03452	1.3
58.37832	0.9
59.01387	100.0
61.98819	5.2
63.42348	1.0
71.01385	32.5
72.99303	1.1
73.02944	11.4
78.95918	1.2
80.94163	1.1
83.01381	6.1
85.02954	16.9
89.02460	7.1
95.01351	1.3
96.95978	2.3
99.00887	4.4
101.02436	27.7
106.04229	2.0
107.04372	1.5
107.05035	27.5
108.02167	1.4
111.00846	1.0
113.02455	15.1
116.92847	1.7
119.03465	1.6
134.03773	1.1
139.02748	1.1
139.03893	1.1
151.04002	13.8
161.04541	20.3
193.05069	1.4
222.73119	1.3
251.11368	31.9
262.28049	1.1
262.30960	0.9
293.12439	24.0
313.09479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80964	0.4
55.01894	2.2
57.03457	1.0
59.01391	100.0
61.98833	0.6
65.16502	0.4
71.01389	24.9
72.99346	0.5
73.02953	8.1
75.00864	0.7
83.01396	4.3
85.02951	13.4
87.00887	1.0
87.04564	0.4
88.85307	0.4
89.02438	5.9
89.06107	0.5
95.01392	2.0
96.96014	0.8
97.02975	0.5
99.00867	4.0
101.02442	25.6
113.02447	11.7
119.03502	1.9
122.02470	1.7
138.05621	3.1
139.05956	1.7
143.03537	0.9
149.27448	0.4
159.03012	2.4
161.04561	17.2
161.05878	0.8
169.04092	1.0
191.69542	0.5
221.10291	0.5
233.10410	2.8
251.11354	39.2
252.11946	0.7
259.08759	1.1
293.12433	24.3
313.05478	0.5
373.08218	0.5
373.13235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01891	1.8
57.03459	1.1
58.00604	3.3
58.32473	0.5
59.01389	100.0
61.39491	0.4
68.71754	0.5
70.12428	0.4
71.01388	37.5
72.99313	2.7
73.02936	0.8
73.17629	0.5
83.01384	3.9
85.02959	9.8
87.00869	0.6
89.02451	49.5
95.01399	2.9
101.02445	24.0
113.02457	13.6
119.03504	21.6
131.03528	0.8
143.03560	0.9
149.04588	1.1
149.06102	1.0
161.04556	1.1
179.05655	2.8
193.12332	6.0
201.12323	0.4
211.13408	0.6
245.45963	0.5
373.18695	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02758	0.3
51.17419	0.4
57.10757	0.3
59.01394	1.2
61.75085	0.3
61.98824	0.6
65.17455	0.3
67.22890	0.4
68.01423	0.5
72.26886	0.3
72.99275	0.4
77.88441	0.4
143.23886	0.4
233.22752	0.5
243.04523	0.4
277.21747	100.0
278.22122	2.5
377.60876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71310	0.3
55.57334	0.2
59.01385	100.0
60.01720	0.4
61.98833	2.1
68.22111	0.3
72.04552	0.5
74.02468	15.1
74.17965	0.4
75.02814	0.7
84.32690	0.3
116.92868	0.8
145.72711	0.3
174.91763	0.3
232.25862	0.3
278.72989	0.3
336.25552	3.3
337.25800	7.3
377.53955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98833	100.0
70.29679	0.1
73.61938	0.2
79.24783	0.2
100.03428	0.2
223.00064	0.2
244.16837	0.2
311.56149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07966	0.2
51.02892	0.1
56.72265	0.1
59.01385	0.9
61.98830	100.0
67.46276	0.2
70.89291	0.2
84.40618	0.2
84.47044	0.2
87.03727	0.2
93.26692	0.2
124.96084	0.2
136.59473	0.2
156.17409	0.2
158.57701	0.2
160.34601	0.2
174.99234	0.2
200.71811	0.2
205.85002	0.2
210.42087	0.2
217.00449	0.8
232.63084	0.2
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
59.01385	1.8
59.43053	0.2
61.98832	100.0
66.38574	0.2
68.61496	0.2
97.28918	0.2
111.10869	0.3
113.55054	0.2
121.62511	0.2
146.27625	0.3
169.77264	0.2
226.51572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00386	0.1
54.17408	0.1
59.01385	6.2
61.98836	100.0
92.12305	0.3
108.13776	0.2
123.80340	0.2
132.98146	0.2
160.70450	0.2
174.99196	2.4
217.00317	5.7
300.47174	0.2
331.19977	0.2
374.99622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83739	0.2
54.82717	0.2
61.98835	100.0
100.15076	0.2
125.88179	0.2
148.54926	0.2
185.04453	0.2
187.76430	0.2
190.09995	2.3
247.17070	1.8
303.18301	0.2
332.90152	0.3
350.71948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33720	0.1
59.01385	17.6
61.98834	100.0
190.26897	0.2
217.00352	0.3
234.38959	0.2
247.82617	0.2
250.34218	0.2
253.21880	0.2
253.32399	0.2
296.91544	0.2
314.27164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47689	0.2
55.94452	0.2
59.01388	11.7
61.98836	100.0
74.02483	1.0
84.23457	0.3
132.98174	0.4
172.43884	0.3
174.99226	4.2
189.28690	0.3
217.00320	11.1
245.44481	0.3
374.24054	2.4
374.99207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	12.2
61.98840	12.8
74.02482	2.3
91.80058	0.2
92.11785	0.4
101.06077	1.0
124.07718	0.5
132.98177	0.3
157.12079	0.3
165.10403	0.4
174.99252	4.4
189.10313	0.6
206.82431	0.3
216.11575	0.3
217.00317	10.4
219.79852	0.3
232.10936	12.9
233.11371	0.3
272.17636	0.3
289.18018	2.1
290.18753	3.4
316.16684	2.3
316.28806	0.2
330.24353	0.5
347.79123	0.3
358.21561	0.5
374.24521	100.0
374.99167	0.5
375.24915	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	374.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36092	11.4
51.60983	14.3
79.98608	12.8
89.50458	15.1
121.69458	13.4
125.55625	14.0
151.40913	13.2
184.11259	15.4
218.60411	16.1
281.25055	30.7
296.25858	25.7
338.26978	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	374.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.4
59.37590	0.6
61.98835	100.0
69.51197	0.5
92.12347	0.9
92.65186	0.7
148.00470	0.7
174.99289	5.3
181.41594	0.6
183.13860	1.0
184.14185	0.7
190.09982	0.7
193.16045	1.0
195.75879	0.7
196.50009	0.7
217.00320	17.5
284.12961	0.6
374.19833	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	375.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28569	0.2
50.39275	0.2
52.57825	0.2
59.01391	4.3
61.28778	0.2
61.98838	2.6
62.39561	0.2
65.03966	0.4
72.45407	0.2
77.32335	0.2
89.35500	0.2
93.03455	82.5
94.03794	1.2
96.96005	4.5
96.96944	0.3
114.39887	0.2
124.96397	0.2
134.03743	1.3
137.02443	100.0
138.02780	1.8
150.06383	0.3
160.07745	0.6
174.99274	1.2
193.04976	0.3
202.48267	0.2
217.00365	2.9
313.40463	0.3
379.62170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26630	0.2
59.01384	2.8
61.98833	100.0
78.79716	0.2
79.13312	0.2
89.71073	0.2
115.12434	0.2
130.34320	0.2
133.02946	1.6
134.03339	0.4
135.04504	2.2
136.04884	0.3
151.67696	0.2
161.02414	3.2
162.02826	1.0
169.12401	0.3
174.99226	0.4
179.03571	1.0
180.06599	0.3
201.11382	0.3
217.00374	1.3
336.36957	0.2
374.59714	1.4
375.10156	0.4
392.89230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24687	0.1
57.91982	0.1
59.01389	0.2
61.98835	100.0
68.93678	0.1
82.61413	0.1
90.54636	0.1
93.94678	0.1
98.68439	0.1
105.35464	0.1
113.11717	0.1
155.98601	0.1
217.00409	0.2
264.66971	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	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.1
61.98847	0.3
63.96243	45.8
78.88893	0.3
79.95734	100.0
80.96516	4.9
96.96000	3.7
101.32726	0.3
101.37109	0.3
113.09692	0.4
115.52567	0.4
119.98804	0.4
121.82754	0.3
132.99643	6.7
148.26440	0.3
171.10316	1.5
174.99220	3.0
175.08006	2.1
175.99507	0.4
183.13911	14.6
184.61577	0.3
191.07504	14.1
195.13968	3.7
201.11345	1.7
204.96025	0.4
217.00339	6.0
245.08685	3.0
247.10199	0.6
263.09601	2.0
264.98877	0.5
277.21750	4.5
279.23190	0.4
293.21246	4.5
295.22809	18.1
296.23312	0.5
340.01166	0.4
357.17334	4.0
375.18503	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	48.6
61.98834	100.0
62.98529	1.3
74.02475	1.1
80.91673	1.3
95.05035	1.5
121.10216	15.5
171.10260	36.3
171.79877	1.0
174.99194	1.5
185.11832	1.0
207.10114	1.3
217.00290	3.5
231.21198	1.6
249.48894	1.0
275.20193	54.2
276.20523	1.1
278.11377	6.1
293.21231	46.3
315.19476	23.4
329.17618	1.5
359.18491	4.1
374.29135	5.2
375.21579	22.4
375.29376	3.9
388.75711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30204	0.7
57.03448	7.2
59.01382	33.8
59.97128	0.7
61.98827	19.9
62.07154	0.6
70.19292	0.7
72.18530	0.7
76.57671	0.9
80.91674	0.9
90.68886	0.6
91.43636	0.8
93.03477	1.0
96.55145	0.7
99.79450	0.9
111.01436	0.8
111.08145	1.1
113.09725	30.3
121.06580	5.0
121.10225	1.5
139.11328	3.0
148.18071	0.8
149.09602	0.9
167.10767	3.9
171.10243	6.7
174.99242	0.8
177.12865	1.0
179.10805	3.5
195.13892	6.2
217.12080	1.9
235.13211	0.9
247.09351	1.1
247.20660	1.7
249.22243	1.8
257.10638	0.8
272.13937	1.1
275.17499	0.9
275.20187	9.2
293.21234	97.3
294.21677	1.5
315.19440	100.0
316.19815	1.6
375.21686	8.5
388.63156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01383	15.6
61.96958	0.4
61.98823	2.0
64.34435	0.4
80.91677	0.6
97.06593	1.0
125.09696	4.8
138.92851	0.4
139.11304	0.6
141.12860	1.6
146.54051	0.4
149.09723	1.7
152.05569	0.4
174.99178	0.5
185.11810	11.6
197.11899	3.2
209.07903	0.7
209.23383	0.4
217.00378	0.5
247.20653	0.8
275.19934	0.4
293.21246	100.0
294.21637	1.7
296.89758	0.5
315.19443	32.6
375.21555	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	375.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98836	0.5
68.01424	0.4
78.30730	0.4
93.28013	0.4
116.92820	0.6
142.49051	0.4
156.45186	0.4
178.87372	0.4
279.23297	100.0
280.23462	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	375.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11659	0.3
59.01387	21.0
61.98835	0.4
63.65421	0.4
66.09908	0.4
84.26456	0.4
116.92835	2.1
121.15841	0.4
134.89398	0.4
163.11331	0.5
181.30270	0.5
238.29724	0.4
279.23395	7.8
293.24899	100.0
294.25320	2.3
375.25208	20.3
376.25534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98815	1.4
68.01412	2.8
72.99333	1.6
89.86102	1.9
94.71426	1.6
95.99287	1.8
116.92837	2.5
136.85286	1.9
178.83502	1.8
233.96274	1.9
279.23294	100.0
280.23578	3.6
314.10052	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.5
61.61159	4.6
61.98815	7.3
66.78947	5.2
86.36159	5.5
102.05569	22.8
116.92728	6.9
122.33247	4.9
163.11270	100.0
168.84422	5.4
186.18834	5.1
250.40587	5.7
253.21768	25.3
253.56192	4.9
323.33350	4.8
339.23346	41.4
340.28220	10.3
399.73257	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
64.34632	0.2
66.29748	0.2
69.32371	0.2
76.33395	0.2
76.47449	0.2
79.23015	0.2
165.59866	0.3
277.21695	2.4
302.22299	0.2
354.31982	0.2
366.34543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35764	0.5
59.01382	55.4
61.98819	1.4
71.01376	100.0
72.99310	1.2
75.00887	0.6
87.00857	4.5
89.02432	22.3
92.11782	0.7
116.92844	1.0
230.04193	0.5
255.23265	1.1
265.75552	0.6
267.23404	0.8
279.23294	1.4
297.24359	0.9
375.27069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91063	0.3
57.03468	0.4
59.01376	2.2
61.98834	0.8
65.10205	0.5
67.01900	0.9
69.03451	2.2
82.06596	0.5
84.08186	2.0
85.05863	0.4
104.17056	0.5
106.63892	0.5
107.05027	2.8
107.08240	0.4
111.42023	0.5
121.06629	0.6
123.08169	4.9
129.11304	0.5
130.08731	100.0
131.09123	0.6
138.09300	0.8
149.06081	11.5
149.09676	0.6
152.08446	0.8
152.10872	2.0
152.48523	0.4
154.12411	2.4
156.06670	1.5
165.09196	15.5
166.12370	5.1
167.10724	0.5
198.11386	9.1
203.14449	1.8
208.13408	1.7
210.11363	13.3
217.00333	0.5
219.13934	2.1
245.11757	0.5
285.50296	0.4
341.11124	0.7
358.20288	0.5
359.52539	0.5
376.21341	64.1
377.21970	1.5
391.73105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2131
Annotation	Isariotin E
Peak:m/z	Relative Intensity
51.01327	0.3
55.64194	0.3
57.03456	0.4
59.01370	1.8
61.98827	0.7
67.01895	2.1
69.03456	2.3
89.86121	0.3
93.32957	0.3
95.05009	0.7
96.95964	0.4
98.06094	1.2
107.05025	4.4
109.02925	0.5
121.06575	1.8
123.08163	6.6
124.08488	0.4
127.03551	0.3
130.08725	100.0
131.09067	0.5
137.09735	0.5
138.09235	2.0
139.07686	0.5
149.06082	15.9
149.09692	1.7
152.08434	1.2
152.10803	1.8
154.12363	4.7
156.06668	2.3
164.10815	0.4
165.09203	20.7
166.12352	4.7
167.10774	2.5
180.13995	0.5
198.11375	9.8
199.11501	0.5
201.12881	0.7
203.14537	2.2
208.13489	2.1
210.11371	14.3
213.09265	2.6
214.09554	3.8
219.13980	2.0
247.13318	0.5
248.48663	0.3
259.91229	0.3
314.21286	1.3
341.11060	0.6
376.21326	70.6
377.08453	0.6
377.21783	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	376.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
60.01712	1.0
60.68803	0.8
61.98823	5.2
62.11970	0.8
65.66883	0.9
67.15745	0.9
73.90239	0.8
91.02778	1.0
97.04137	1.0
109.06590	1.0
123.08204	1.3
124.05247	4.3
130.08730	100.0
138.06827	7.9
139.07645	4.1
149.06064	1.2
156.06697	1.0
165.09183	1.5
166.12421	1.2
169.13556	0.9
201.12929	1.3
202.69812	0.9
228.20395	1.0
244.43777	1.1
296.20209	1.9
303.09213	1.0
303.57349	1.0
305.03214	1.1
314.20966	1.3
332.22214	1.4
341.10822	1.6
376.21320	59.6
377.08557	2.5
377.21631	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	376.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92563	0.1
55.00162	0.1
58.50797	0.1
59.01392	1.4
60.01700	0.1
60.44275	0.1
61.30917	0.1
61.98833	4.7
62.96412	0.2
68.11008	0.1
68.21723	0.1
78.95899	100.0
96.96958	2.8
109.17141	0.1
112.58141	0.1
196.01617	0.1
217.00328	0.2
218.00613	0.2
263.59186	0.1
364.11154	0.2
376.22623	24.9
377.23001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41278	0.1
59.01397	0.3
60.45684	0.1
60.63960	0.1
61.98835	100.0
81.12617	0.1
83.07589	0.1
91.77953	0.2
103.71428	0.2
136.40443	0.2
153.54298	0.2
186.66731	0.2
201.91295	0.2
324.34097	0.2
396.07504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
61.98829	100.0
62.69043	0.3
63.48901	0.2
63.99253	0.4
78.95889	1.2
84.23148	0.2
88.48751	0.2
98.95490	0.3
104.70857	0.3
139.97313	0.2
271.24530	0.3
297.10571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59232	0.6
52.80923	0.5
59.01381	1.5
61.98851	0.5
84.04549	6.2
94.37473	0.6
99.92570	12.0
100.07645	1.1
100.93348	1.0
102.05597	55.7
103.05927	1.0
115.92049	5.9
116.92840	17.7
151.45303	0.8
231.99841	0.7
254.24957	8.5
268.70645	0.7
277.21710	3.1
278.22183	7.8
294.27933	1.3
296.29602	21.5
297.29916	0.9
298.23874	0.8
322.27576	5.2
340.28571	100.0
341.28873	5.6
377.14413	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	376.2859
Annotation	Madangolide
Peak:m/z	Relative Intensity
55.29857	0.2
58.02985	0.4
58.46834	0.2
59.01403	0.3
61.98825	0.5
63.51632	0.2
73.37573	0.2
86.07740	0.3
86.85802	0.2
87.16279	0.2
99.88036	0.2
108.81600	0.2
114.09267	2.6
114.39034	0.3
116.07175	100.0
116.92876	1.1
117.07540	0.6
161.56549	0.2
198.27309	0.3
280.57074	0.2
332.29620	0.5
376.28601	54.5
377.28973	1.8
386.36362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43613	0.2
55.27036	0.2
59.01384	100.0
61.98825	0.3
66.73919	0.3
74.48018	0.3
117.08105	0.3
221.68799	0.3
247.60794	0.3
253.21873	0.6
255.23351	1.2
284.26083	0.5
316.28760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.8
59.01382	34.2
66.08326	1.2
70.26978	1.3
71.01376	23.4
76.52720	1.2
85.02928	3.0
86.43674	1.7
89.02439	40.7
92.11824	1.6
101.02419	10.9
113.02435	13.8
119.03491	16.3
143.03572	1.9
157.36287	1.4
179.05637	15.8
215.03276	14.4
238.16177	1.3
335.70221	1.5
341.10895	100.0
377.08569	80.5
377.13391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83123	0.3
59.01382	3.6
61.71269	0.3
61.80319	0.3
66.83805	0.3
67.24474	0.3
71.01382	2.0
72.00902	5.7
76.20972	0.3
84.00907	3.1
84.01344	0.4
89.02422	1.9
96.96008	2.4
100.00391	7.9
100.04039	1.6
101.02403	0.4
112.03095	0.4
113.02444	0.5
118.04092	0.4
121.05159	0.4
121.06615	0.5
122.03572	2.3
122.21984	0.4
132.05759	0.4
133.02948	0.8
140.04688	0.5
143.59760	0.4
143.81558	0.4
149.03380	0.5
160.05171	0.5
163.04979	2.2
164.05753	4.5
164.69760	0.3
182.73195	0.4
186.04196	8.5
187.05043	3.2
199.04991	2.5
200.05800	19.6
201.06567	17.1
202.07368	7.0
203.89211	0.4
207.69673	0.4
214.07372	14.8
215.08127	9.3
216.08913	38.9
223.05048	0.5
223.07368	0.6
224.05841	5.7
225.06592	7.4
226.07550	3.8
227.06900	1.4
229.06038	3.4
230.06985	0.6
230.10529	1.4
233.05525	3.8
238.07349	1.6
239.06841	4.1
239.10452	0.7
240.08980	13.4
241.08405	18.6
242.09216	9.5
244.08409	12.3
247.07077	4.5
248.47691	0.4
257.11584	100.0
258.11813	2.1
268.07104	2.2
283.09497	9.5
283.12338	0.5
284.07629	0.7
301.10574	1.9
315.12177	11.4
341.11026	3.6
345.05356	0.6
345.09561	18.8
346.09875	0.6
377.08661	1.8
377.12503	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	377.1428
Annotation	Abafungin
Peak:m/z	Relative Intensity
54.82161	0.3
58.63757	0.2
61.98836	0.4
62.85473	0.3
70.38443	0.2
71.33947	0.2
84.93853	2.5
99.92577	76.1
100.92668	0.7
100.93349	6.9
114.93362	0.3
115.92068	32.5
116.92850	100.0
117.92860	1.1
132.92351	0.3
181.12193	0.3
184.61716	0.3
269.05093	0.3
277.21704	0.4
290.06055	0.4
299.05759	0.4
308.07065	2.4
315.14194	0.4
333.15295	0.7
359.13263	2.0
373.11108	2.7
377.14288	46.7
378.14447	1.4
387.09143	0.4
391.12234	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	377.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73607	0.3
54.82563	0.4
57.03450	1.7
59.01385	23.2
61.98836	0.4
65.65621	0.4
80.91670	2.4
88.21561	0.4
95.05013	8.0
104.17825	0.4
108.23914	0.4
108.40385	0.4
113.09711	3.8
116.92830	0.8
147.12021	0.4
176.56403	0.4
177.12886	0.7
179.14326	0.7
195.12138	0.7
195.13914	20.7
217.12000	1.4
237.14655	0.5
246.12296	0.6
249.10963	0.7
249.22205	0.7
262.65320	0.5
277.21738	22.8
278.11316	6.2
278.22198	0.5
295.22800	100.0
296.23059	1.4
299.19809	0.9
315.19528	0.8
317.21005	45.7
361.19965	3.9
377.23074	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	377.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24438	1.2
55.00456	1.3
56.85664	1.1
58.99684	1.3
59.01388	100.0
61.98827	3.3
70.65686	1.4
76.57193	1.3
92.12449	3.1
111.43210	1.4
116.92859	3.6
123.00648	1.7
171.10245	5.5
199.87917	1.5
277.21472	2.1
295.22809	83.0
317.21094	2.4
370.78137	1.6
377.23047	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	377.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05902	0.5
59.01385	39.9
61.98829	3.4
80.91669	0.8
88.28079	0.6
92.11755	2.0
116.92839	1.2
123.08160	0.7
124.95925	0.6
127.11198	0.8
134.49690	0.6
151.11278	0.8
171.10262	53.6
191.06853	1.0
194.94441	0.7
209.07922	0.8
230.33179	0.6
231.66252	0.7
249.22246	2.7
276.37485	0.6
277.21729	82.0
278.22067	3.0
295.22797	100.0
296.23083	1.5
308.88837	0.6
317.21005	35.5
340.22189	0.7
361.20035	4.7
377.09085	0.8
377.23120	42.0
398.74292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22459	0.5
54.64227	0.5
57.03447	1.3
59.01385	33.5
59.75698	0.5
61.98822	3.0
68.19043	0.5
71.01372	1.0
72.43163	0.6
90.24119	0.6
113.09716	1.2
116.92818	1.4
126.70702	0.7
127.11266	2.6
165.12708	0.8
179.14389	0.8
184.84869	0.6
209.58792	0.7
223.13110	0.8
249.22249	10.2
255.23320	1.0
267.23196	1.1
295.22800	65.1
296.23083	0.7
297.18427	0.8
317.20993	100.0
317.27023	4.2
318.21768	0.7
377.22879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.01392	34.1
79.28925	0.6
79.55768	0.5
92.11735	1.2
95.04966	0.5
97.12688	0.6
99.08148	0.7
99.11147	0.5
104.42194	0.5
107.13708	0.5
110.66040	0.6
111.08118	0.8
113.09718	2.6
142.23663	0.5
148.51370	0.5
158.95122	0.5
171.70721	0.5
177.12944	0.6
179.14432	1.1
183.13921	4.2
195.13914	19.5
277.21716	20.1
293.21399	0.9
295.22787	100.0
296.23166	0.9
317.21024	0.9
377.23123	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52841	0.7
59.01387	34.0
59.27801	0.8
97.79977	0.9
107.58344	0.7
109.94889	0.8
112.51283	0.8
151.69638	0.9
171.08789	2.1
171.10252	43.5
183.10239	1.1
277.19382	1.3
277.21710	53.3
295.22797	100.0
377.23123	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35928	0.5
59.01376	2.9
61.98832	1.1
63.89924	0.6
75.00860	3.6
79.95730	3.6
80.91686	0.7
83.05043	0.8
92.11717	1.1
116.92867	2.3
125.22403	0.5
127.11280	0.8
141.12848	10.6
148.77435	0.6
151.97998	0.6
155.14400	4.0
241.20189	0.6
249.22229	11.3
251.00143	0.5
277.21640	2.1
293.21106	0.7
295.22778	100.0
296.23053	1.9
344.53336	0.6
377.08279	0.8
377.23312	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	377.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56826	0.7
54.83116	0.8
56.81959	0.8
58.98820	0.7
59.01386	20.2
61.98832	0.9
62.03896	0.8
65.55357	0.9
73.53886	1.0
86.66573	0.8
87.64786	0.8
91.76694	0.9
110.44120	0.8
216.15805	0.8
265.69751	0.9
266.97913	1.0
279.23267	4.1
281.24744	2.1
295.26428	100.0
296.26810	1.4
377.26770	24.1
377.40128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89512	0.4
58.16387	0.4
61.98822	2.0
64.34969	0.4
69.03451	0.7
72.54347	0.4
83.05010	2.4
97.06603	0.7
97.70430	0.4
123.08153	4.5
125.09708	10.4
130.08728	56.4
132.17093	0.4
133.06616	3.1
137.09773	0.5
138.09302	0.5
146.34898	0.4
149.09708	5.7
151.27777	0.5
152.08479	2.9
154.12386	13.0
166.12347	4.5
167.10771	11.9
182.15448	0.5
193.15663	0.4
198.11400	2.6
208.13448	0.6
210.11395	3.2
241.91174	0.4
298.21677	0.7
316.22842	0.6
378.22891	100.0
379.23169	3.3
380.21524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2288
Annotation	Ro 09-1543
Peak:m/z	Relative Intensity
54.19327	0.2
57.03455	0.5
59.01381	0.3
60.58653	0.2
61.98822	1.0
65.68394	0.2
67.01912	0.3
69.03459	0.9
70.23163	0.2
70.64021	0.2
70.65581	0.2
71.05029	27.7
80.02731	0.2
82.59880	0.2
94.80927	0.2
95.05029	5.1
98.06083	0.4
111.08158	16.2
112.75403	0.2
130.08731	51.3
133.06627	1.8
138.09293	0.3
147.08134	0.3
149.09723	8.6
150.91299	0.3
153.39957	0.3
154.12392	9.4
166.12375	6.9
167.09354	0.3
167.10777	8.0
198.11353	2.2
203.14474	1.8
208.13403	2.4
210.11368	3.3
233.53088	0.2
244.17143	0.9
244.92281	0.3
262.18073	1.4
298.21585	0.3
316.22894	1.4
329.03580	0.2
347.19910	0.3
360.21866	9.1
369.77963	0.3
378.22885	100.0
379.23157	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	378.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04330	0.1
53.54131	0.1
57.08286	0.2
61.63430	0.2
61.98834	100.0
63.51998	0.2
67.67935	0.1
68.35643	0.1
75.61987	0.2
78.95913	0.2
112.21206	0.2
150.38206	0.2
232.32288	0.2
281.34909	0.2
325.60660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51749	0.2
55.17463	0.3
59.01388	0.6
61.98838	100.0
91.63144	0.3
120.00044	0.3
150.35257	0.3
172.67104	0.3
201.60231	0.3
204.60606	0.4
224.47655	0.3
297.11777	0.3
318.21786	0.3
357.49792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	0.6
59.01382	1.2
61.98820	1.2
62.41993	0.5
68.21574	0.6
72.00905	0.8
72.04532	3.4
74.02473	100.0
118.05086	2.9
165.33955	0.6
173.08228	0.6
183.13870	3.2
189.93553	0.6
204.21486	0.6
219.95074	0.6
239.28094	0.6
288.23346	2.6
290.24893	4.2
297.24374	4.4
316.22797	16.7
316.26385	0.8
334.23895	56.7
378.21756	1.1
378.26541	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	0.3
110.21064	0.2
114.09245	2.6
116.07166	100.0
117.07516	1.2
126.09266	0.2
244.92163	0.2
298.88919	0.2
325.54214	0.2
334.31259	1.9
378.30173	55.5
379.30554	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21936	0.4
59.01108	0.8
59.01389	15.2
59.22097	0.4
59.67375	0.5
60.01724	0.5
61.98829	2.7
63.45652	0.5
64.34603	0.5
73.79434	0.5
80.52857	0.6
99.18340	0.5
101.41552	0.5
116.92828	0.9
134.96083	0.6
143.69405	0.5
150.99219	3.8
152.97137	3.8
154.90691	0.7
154.93390	0.9
157.80962	0.5
161.70461	0.5
174.87541	1.1
176.87193	7.5
176.97107	0.9
190.97272	1.2
192.95139	2.7
194.88203	0.8
194.98183	67.8
201.02531	5.9
203.02382	2.3
208.98297	4.5
210.96179	8.0
227.07048	0.6
234.96095	4.9
236.99272	5.0
250.99353	7.7
252.97240	69.5
253.97377	1.1
276.97186	11.2
294.98300	100.0
295.86520	0.6
295.98303	2.8
303.73785	0.6
318.98407	2.6
336.99402	81.9
337.99634	2.7
379.00827	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	379.1581
Annotation	DMH-1
Peak:m/z	Relative Intensity
84.93865	2.2
92.11731	0.7
99.73793	0.5
99.92578	63.7
100.92669	1.3
100.93362	7.7
109.61094	0.5
115.92067	28.0
116.92850	100.0
117.92902	0.9
146.70050	0.5
184.68529	0.5
322.08728	0.6
329.33752	0.5
335.16946	0.6
375.12659	2.0
376.12973	0.7
379.15829	56.5
380.16254	4.5
393.13806	2.4
398.26547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.00594	1.3
59.01110	1.9
59.01388	43.2
59.59996	1.1
61.98843	1.7
62.74250	1.0
71.01389	18.5
72.99316	1.3
73.02934	5.8
74.02464	1.8
74.89600	1.0
75.00867	1.5
78.95926	1.1
83.01368	1.3
85.02953	2.5
85.06590	2.2
87.00872	2.8
89.02451	12.8
96.95988	2.8
101.02425	14.4
113.02444	7.3
119.03516	2.2
129.52797	1.0
131.07129	5.3
131.75168	1.2
137.09720	2.4
149.71338	1.2
155.10782	44.8
165.23773	1.4
171.10258	32.0
173.11829	2.4
199.09796	9.0
201.11342	5.3
213.11395	6.8
217.10818	58.6
259.11896	6.2
335.13474	9.1
337.89951	1.2
379.16150	100.0
380.16455	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	379.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82561	0.1
57.45191	0.1
63.75396	0.1
64.41579	0.1
66.29996	0.1
70.49277	0.1
77.77637	0.1
86.20903	0.1
88.62487	0.1
91.05514	0.1
92.11745	0.1
93.03448	0.5
113.50967	0.1
117.03456	0.8
119.05022	100.0
120.05334	0.6
132.05777	0.2
144.04546	0.7
145.02957	3.3
157.05354	0.2
159.08173	0.1
162.05627	0.4
171.59315	0.1
174.09167	0.1
186.09241	0.1
191.11893	0.1
215.11946	0.3
216.10295	4.1
233.12961	2.1
240.85468	0.1
259.10886	27.2
260.11292	0.4
343.21271	0.4
346.37372	0.1
379.16672	9.6
380.16864	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	379.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.1
59.01398	18.0
61.98839	3.0
73.02944	1.5
80.02689	2.6
84.02184	2.8
97.06609	2.1
97.89212	1.6
98.91814	1.4
109.52150	1.4
109.60198	1.5
109.60932	1.5
113.05448	1.5
125.09721	33.5
127.11255	1.9
137.09703	16.3
140.29854	1.7
153.09219	1.9
155.10808	3.4
155.34082	1.4
157.84956	1.4
171.10252	14.3
174.99243	1.5
189.05893	1.6
209.22061	1.9
215.12912	2.4
220.99765	1.8
279.19827	1.5
290.30939	1.6
307.19009	19.5
319.19293	7.4
319.22784	100.0
325.20294	3.3
343.24936	31.2
354.06558	1.7
403.48080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10374	0.2
59.01381	0.3
79.31402	0.2
79.95737	2.0
84.09943	0.2
96.96006	100.0
119.05011	0.2
133.02979	0.2
171.10280	0.2
176.03482	0.2
273.78821	0.2
276.18860	0.2
319.10983	0.2
323.04730	0.2
343.21320	0.8
379.21649	37.3
380.22003	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12777	0.8
59.01384	7.9
59.97539	0.9
61.98830	1.2
77.25304	1.1
89.60300	1.0
99.08134	1.7
121.10226	1.4
125.09656	1.1
134.07312	1.1
137.09732	1.0
139.71645	1.2
171.10274	30.8
183.13910	1.3
187.32944	1.2
193.12337	5.0
211.13467	4.5
225.14961	8.4
243.16116	1.6
289.54239	1.1
319.22787	12.7
343.24924	100.0
344.25342	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	379.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49496	0.2
57.74176	0.3
59.01112	0.5
59.01389	13.2
61.98847	2.4
80.91637	0.5
89.42148	0.3
122.90319	0.3
251.23741	0.8
259.11307	0.4
279.23245	1.8
295.22760	0.6
297.24347	100.0
298.24689	2.2
317.21017	3.2
319.22531	3.7
320.64740	0.4
348.56607	0.4
363.21490	1.6
379.24695	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	379.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39652	0.2
59.01384	17.6
73.90060	0.3
86.54119	0.3
127.11246	1.4
141.12863	0.5
150.39645	0.3
153.12915	0.5
155.10799	3.8
163.28387	0.3
167.31468	0.3
171.10260	6.3
185.34875	0.3
261.22250	0.4
279.23294	11.4
295.22778	0.7
297.24356	100.0
298.24701	0.3
319.22498	1.2
379.24692	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	379.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10133	0.4
57.03459	0.5
59.01384	20.7
61.98837	4.7
69.51653	0.4
80.91653	0.6
96.68831	0.5
116.92802	0.6
123.78479	0.4
132.45503	0.5
151.17422	0.4
155.14386	0.7
183.13922	1.1
199.13414	4.7
251.23924	0.5
279.23318	9.5
295.22833	0.8
297.24362	100.0
298.24615	1.8
319.22574	4.3
379.24673	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45141	0.5
50.89685	0.5
52.11026	0.5
59.01388	17.7
66.73428	0.5
72.04536	1.6
73.87780	0.6
74.02470	41.7
75.02786	2.7
80.91658	1.3
89.86169	0.6
92.11652	0.7
103.30186	0.6
118.05062	1.1
151.07884	0.6
181.12379	1.0
183.13893	60.6
186.61160	0.7
223.13141	7.3
237.10977	1.0
267.12180	8.7
279.23343	9.6
291.25357	0.9
297.24368	100.0
316.22800	3.7
317.23102	5.0
319.22565	5.2
334.23956	9.7
335.24231	16.1
349.20007	0.8
363.21661	1.3
378.26428	4.0
379.24130	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	379.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31595	0.9
59.01382	19.6
65.10255	0.9
66.22836	0.9
67.94400	0.9
78.61574	0.9
109.13956	1.0
110.34319	1.1
127.44447	1.0
141.84164	0.9
147.61278	1.1
153.12819	1.1
171.10278	11.2
279.23364	13.5
297.24359	100.0
317.20938	1.9
319.22626	7.7
363.21561	1.7
379.24765	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1566
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
56.94248	0.4
57.03446	0.6
59.01386	28.0
61.98813	2.5
71.01382	40.7
71.05023	9.0
73.02930	1.0
79.64825	0.5
81.89297	0.5
83.01392	1.2
85.02943	5.2
88.04031	6.9
89.02439	11.6
95.01366	0.7
96.95996	2.4
99.00891	0.7
99.04517	2.1
101.02425	10.3
113.02444	7.0
116.07206	2.0
119.03491	4.6
124.04038	2.2
128.07143	3.0
129.05533	0.7
146.08235	77.5
161.04570	2.0
169.43123	0.5
180.03072	2.3
217.00471	0.5
221.63634	0.5
308.13486	4.7
323.13364	1.2
342.08331	1.0
344.08438	0.6
362.14505	0.9
380.15677	100.0
381.16122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64407	0.2
57.09281	0.2
58.02976	0.3
59.01385	13.2
61.98833	6.6
70.26758	0.2
71.18247	0.2
72.99308	1.5
74.02454	0.4
75.00867	100.0
79.94647	0.2
81.03481	0.4
87.00871	1.2
88.13957	0.3
93.03450	0.3
108.04559	2.0
108.05240	0.2
109.02938	1.5
112.88694	0.2
123.00883	2.6
124.01655	6.6
126.13258	0.3
132.98178	0.3
134.02489	2.2
135.03256	2.2
136.01668	2.3
136.04031	6.6
136.51540	0.3
139.04036	4.3
150.01820	0.3
151.04016	2.5
168.13937	0.4
170.69351	0.3
173.13017	0.3
174.99222	4.3
197.71506	0.3
201.02606	0.3
217.00313	11.6
260.16736	0.3
288.16052	14.2
289.16422	0.3
319.19025	0.5
319.22800	15.5
320.23145	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56528	0.5
59.01390	8.1
61.98824	1.0
65.59726	0.5
66.68334	0.5
67.45870	0.4
73.02953	2.1
114.60323	0.5
130.08731	100.0
131.27324	0.5
152.02127	0.5
174.99249	3.2
194.15567	2.3
217.00354	10.2
238.14432	6.6
380.24469	46.0
381.24911	2.2
383.16605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2573
Annotation	Sphinganine 1-phosphate
Peak:m/z	Relative Intensity
50.00416	0.2
56.02297	0.3
59.01385	2.7
60.64916	0.3
61.98825	1.4
76.57618	0.3
78.95898	100.0
83.68001	0.3
92.21500	0.3
96.96931	1.2
113.97062	0.4
152.99582	0.5
167.70265	0.3
174.99138	0.6
217.00360	3.4
217.02103	0.4
270.05524	0.3
319.23019	0.4
320.23196	0.6
336.22894	0.4
351.38147	0.3
367.36261	0.4
380.25739	29.0
381.26208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63953	0.2
59.01384	100.0
61.98838	0.6
67.02571	0.2
74.72382	0.2
75.15735	0.3
85.34525	0.3
160.52756	0.3
217.00386	0.5
289.59473	0.4
320.26041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82531	0.2
55.08199	0.2
59.01385	2.4
59.33434	0.2
60.99338	0.3
61.98830	2.3
72.00903	0.6
72.02979	0.2
72.04548	4.4
74.02472	100.0
81.86759	0.2
84.04536	0.9
96.96017	1.0
100.81932	0.2
118.05085	2.8
133.12024	0.2
154.13287	0.3
197.11855	0.2
217.00369	1.1
261.22348	0.4
279.23215	0.3
290.24887	4.8
292.26541	4.7
299.20221	1.0
317.18597	0.3
318.24445	17.5
318.27991	2.2
336.25482	45.8
337.25830	0.3
380.28094	28.7
381.23227	1.4
381.27921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3172
Annotation	Besarhanamide A
Peak:m/z	Relative Intensity
55.96058	0.3
57.32430	0.3
59.01373	0.4
61.01404	0.3
61.98818	0.3
84.77208	0.4
90.88894	0.4
99.81355	0.4
101.38593	0.4
114.09233	1.8
116.07169	100.0
117.07482	0.6
192.62741	0.4
239.33087	0.4
266.32404	0.4
336.32697	3.9
380.31741	64.1
381.32095	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	381.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01530	0.6
71.12698	0.6
84.93874	1.1
86.95490	0.5
99.92580	56.3
100.92669	1.0
100.93356	6.4
110.38338	0.6
115.92072	30.7
116.92853	100.0
117.92860	2.1
237.22719	0.7
301.93948	0.6
316.16873	0.6
337.18381	0.6
365.48849	0.6
369.17410	1.4
381.17380	68.9
382.17572	5.3
395.15518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1922
Annotation	Cinncassiol A
Peak:m/z	Relative Intensity
51.42041	0.2
57.03386	0.3
57.41010	0.2
58.00507	1.5
59.01292	4.7
59.01610	0.9
63.72704	0.2
64.33916	0.2
68.16360	0.2
69.03352	1.5
71.01278	4.6
71.01702	0.6
71.04947	0.2
72.99199	0.3
73.02840	1.0
73.03181	0.2
83.04950	0.3
85.02886	0.7
87.04422	0.4
89.02330	1.5
90.51834	0.2
95.54025	0.2
101.02316	1.7
113.02346	0.5
113.05980	1.1
117.68694	0.2
119.03401	0.4
119.04946	0.3
129.09218	1.6
132.02028	0.3
135.08014	1.0
137.09747	2.8
163.03963	0.3
191.14256	1.1
193.84506	0.2
201.11191	1.6
203.93230	0.2
217.15939	0.9
219.12286	0.9
227.18134	0.4
233.19089	0.4
235.20673	0.4
241.08212	0.2
241.15752	0.3
243.17485	0.5
245.19087	2.3
255.17520	0.4
257.15442	0.9
257.18994	0.9
261.18539	0.2
263.20163	0.9
265.18027	0.2
273.18607	2.1
275.20190	1.3
291.19580	0.4
293.21039	0.3
302.98212	0.2
309.20563	1.0
319.19193	0.5
335.18622	0.5
337.20255	44.9
338.20602	0.4
381.19229	100.0
382.19446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2436
Annotation	Precyclocitrinol B
Peak:m/z	Relative Intensity
52.59303	0.4
59.01157	0.5
59.01398	9.3
61.10904	0.5
61.98831	1.2
70.65356	0.5
74.02477	5.6
79.95750	4.4
84.04724	0.6
92.11751	0.7
95.95280	0.6
96.96003	25.4
116.92682	0.6
122.97565	0.9
145.10371	0.6
145.59949	0.6
148.05373	0.6
162.10458	0.6
163.11276	100.0
164.11647	0.8
164.34300	0.7
165.29712	0.6
174.99222	2.4
186.73184	0.6
190.09975	6.2
194.09564	2.4
205.12344	73.5
217.00304	5.3
217.12296	10.4
257.38461	0.6
294.28500	0.7
299.20520	0.9
299.25940	13.4
319.24512	0.9
334.70541	0.6
336.25302	1.1
337.25842	1.4
380.27942	0.7
381.24158	88.4
382.24503	2.6
385.60159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73763	0.4
55.01873	0.8
58.20622	0.4
59.01383	0.5
62.53696	0.3
62.72057	0.4
63.09412	0.4
68.83745	0.4
72.99320	0.4
73.74644	0.4
73.98703	0.4
80.91671	1.7
99.92578	4.8
100.56451	0.4
149.09714	6.3
163.11279	3.2
205.16019	1.8
210.98985	0.4
219.17557	6.7
225.22212	1.7
244.91391	0.4
249.22215	0.8
251.23802	4.8
253.25377	71.5
281.24841	2.0
299.25928	100.0
300.26343	0.9
326.25714	0.5
364.66138	0.4
381.27524	11.6
382.18338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2802
Annotation	Strongylophorin 22
Peak:m/z	Relative Intensity
50.63484	0.2
51.35599	0.3
61.98817	0.4
79.42435	0.3
87.00868	0.3
109.73587	0.3
111.99650	0.3
116.07152	0.4
116.92881	0.4
117.80479	0.3
147.08189	1.7
149.09718	4.4
163.11293	100.0
164.11627	2.0
189.12961	0.5
205.15993	89.6
206.16373	2.4
219.17511	3.3
223.23203	0.3
381.28033	89.1
382.28381	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	382.1008
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
51.67875	0.2
59.01388	0.4
60.91483	0.2
65.91552	0.2
66.97607	0.2
67.64763	0.2
71.01384	7.6
71.15179	0.2
71.67337	0.2
73.02927	0.5
76.94332	0.2
83.01386	0.5
92.02526	0.9
96.95999	1.0
99.00911	0.5
107.03661	2.6
112.10406	0.2
114.39559	0.2
115.00366	8.7
119.03658	0.8
120.90279	0.2
127.00359	0.5
132.04561	0.3
133.03937	1.2
133.85385	0.2
134.04726	100.0
135.05112	0.4
135.06749	1.2
146.04648	0.3
152.44147	0.3
158.06134	0.3
160.06235	0.3
161.04498	0.2
162.07855	8.7
188.05820	1.1
189.00446	0.4
206.06856	20.3
244.95126	0.3
250.05836	2.4
266.08939	4.0
288.70450	0.2
382.10077	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	382.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64882	0.4
55.01865	0.7
59.01115	0.7
59.01387	13.6
61.98845	0.5
71.01378	6.6
73.02937	1.0
75.00867	16.5
83.01393	0.8
84.19868	0.5
85.02943	2.3
85.65624	0.5
87.00871	11.7
89.02443	4.1
91.68216	0.5
99.00886	0.6
101.02441	4.2
113.02444	2.3
115.05544	7.3
116.05051	3.1
119.03492	0.5
130.06616	9.0
131.03671	0.6
132.04530	27.6
138.03546	0.6
144.04535	1.1
157.05284	0.7
158.06105	100.0
159.06554	0.7
166.19887	0.5
174.05589	3.3
176.07117	0.6
202.05104	30.3
203.05453	0.9
220.06139	6.3
237.06119	4.8
249.06137	7.3
262.07199	0.8
328.15140	0.5
366.86871	0.6
382.11462	46.6
400.32617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02411	0.4
59.01107	0.6
59.01381	12.7
59.27761	0.3
61.98120	0.4
66.38595	0.4
67.68726	0.4
70.92593	0.4
71.01379	6.9
72.99271	0.4
73.02931	2.0
75.00868	17.2
79.87193	0.4
82.01469	0.5
83.01379	0.9
85.02934	3.1
87.00864	12.8
88.98782	0.7
89.02428	5.6
89.37402	0.4
92.11768	0.6
95.01395	0.7
99.00867	0.7
101.02439	3.8
102.84921	0.5
103.91731	0.5
113.02424	2.1
115.05532	7.8
116.05029	2.5
117.01930	0.5
119.03460	0.8
127.00326	0.7
128.05072	0.5
130.06607	11.9
132.04541	28.3
134.04713	0.6
144.04547	2.1
146.06108	1.1
156.04567	0.6
157.05270	0.5
158.06107	100.0
160.03976	0.9
174.05574	10.6
176.03531	2.4
192.01247	0.5
202.05109	29.4
202.11035	0.6
220.06207	6.0
220.12029	1.1
237.06139	6.3
249.06201	6.9
255.79868	0.5
348.73911	0.5
382.11475	48.4
382.16510	1.9
383.11905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.9
57.03465	1.3
58.00593	1.2
59.01385	100.0
61.98830	9.2
64.34219	0.9
65.12480	0.9
69.49996	0.8
71.01385	25.6
72.99268	0.9
73.02923	1.8
79.46407	0.7
83.01379	4.1
85.02947	6.1
87.00869	1.6
89.02449	40.8
90.50020	0.9
95.01369	1.2
95.05777	0.8
96.33679	0.8
99.00847	1.1
101.02437	16.2
113.02433	13.5
113.70669	1.0
119.03483	16.4
119.05041	1.0
127.00363	1.7
127.10709	1.1
131.03424	0.9
139.90102	0.9
140.73293	0.9
142.06593	1.7
145.02905	1.0
160.07664	4.4
161.04601	1.2
179.05577	1.9
208.87845	0.9
269.10812	1.1
322.12970	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84374	1.5
53.97621	1.4
59.01374	9.3
74.10713	1.5
76.91805	1.5
78.65876	1.5
82.95420	3.9
83.05005	1.6
84.04535	2.4
116.92871	2.1
142.20099	1.9
143.86702	1.9
261.22159	3.6
264.18872	1.8
295.20956	2.5
304.26492	100.0
305.26779	3.3
382.24231	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	382.2964
Annotation	N-oleoyl threonine
Peak:m/z	Relative Intensity
51.51713	0.3
56.85623	0.3
63.43061	0.3
72.00928	0.6
72.04549	2.4
74.02470	100.0
83.32771	0.3
84.04542	0.5
84.43127	0.3
85.88302	0.3
89.07861	0.4
92.11646	0.4
93.15912	0.3
94.11227	0.3
118.05090	2.8
131.45634	0.3
179.74501	0.3
233.19003	0.3
249.04080	0.3
263.23801	0.5
281.24979	0.3
292.26483	8.1
294.28012	2.5
315.22345	0.4
320.26010	23.7
320.29599	3.0
338.27039	45.8
382.29651	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90340	0.1
58.97935	0.1
59.01389	100.0
60.01724	0.2
61.98839	0.3
71.01390	0.1
79.95734	0.2
84.06487	0.1
87.81720	0.1
96.95996	1.7
98.79575	0.1
116.92944	0.1
123.65485	0.1
163.11284	1.3
164.11723	0.9
205.12395	0.6
206.12758	0.6
229.01360	0.1
320.26163	0.2
322.27499	0.9
381.23550	0.1
382.23944	2.6
383.23431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.3329
Annotation	Serinolamide A
Peak:m/z	Relative Intensity
53.78043	1.7
56.91465	1.9
57.87197	1.9
65.01745	1.6
116.07167	100.0
142.38353	2.1
150.52615	2.2
151.19763	2.2
182.33653	2.5
187.72424	2.4
193.99126	2.1
246.05103	2.4
307.68869	2.3
338.34375	9.7
382.33319	60.8
382.37891	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	383.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.2
57.03456	20.2
59.01377	4.3
66.33123	0.7
70.42044	0.7
71.01394	6.3
73.02940	80.0
75.00864	1.4
78.95862	1.2
83.01382	60.4
85.02917	1.0
87.00858	5.3
89.02433	1.6
95.95678	0.7
97.37542	0.7
99.00871	52.1
101.02428	3.7
103.93513	0.8
106.49327	0.7
117.01929	3.6
127.00356	100.0
134.03725	3.2
134.04703	1.7
142.99857	4.5
145.01407	1.1
170.99329	1.8
180.74388	0.8
189.00403	78.9
189.08997	0.9
203.10362	0.9
212.67926	1.0
227.14528	0.8
257.94550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29114	0.8
55.01873	5.3
57.03454	19.4
71.01374	2.5
73.02940	68.5
78.95911	0.9
83.01379	53.9
87.00875	4.2
96.92880	1.0
99.00870	43.9
101.02451	2.1
110.32583	1.0
123.52237	1.2
127.00359	100.0
134.03697	3.9
142.99913	3.9
145.01471	1.6
160.85127	1.1
170.99347	1.9
189.00398	79.5
202.08141	0.9
230.38219	1.0
327.86282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0775
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
56.29357	0.2
57.54453	0.2
59.01376	0.7
61.98830	0.7
66.64845	0.2
67.39352	0.3
68.99805	1.2
71.01376	0.3
80.51835	0.2
83.01363	0.3
88.04067	0.4
91.96342	0.3
105.03459	0.3
114.47688	0.3
119.05030	1.2
121.02945	100.0
122.03285	1.4
137.92477	0.3
145.03020	0.5
147.04478	2.3
149.02415	1.6
163.04008	0.3
180.05800	1.3
181.06593	4.1
189.00403	0.4
191.03506	9.1
223.07542	0.5
225.05583	7.3
228.81509	0.3
251.07162	3.0
269.08078	0.4
295.03000	0.6
295.06110	8.0
311.09286	9.9
311.12854	0.4
313.07193	14.1
339.08749	12.2
344.25226	0.4
383.07739	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	383.1138
Annotation	1,3-O-di-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
54.42881	0.2
57.03460	0.3
59.01381	1.3
69.03452	1.1
69.13400	0.3
71.01367	0.4
73.02940	0.5
83.01359	0.4
85.02914	0.3
89.02432	0.3
93.03431	1.2
99.00871	0.4
99.08257	0.2
111.78126	0.3
113.02445	1.1
117.03459	21.4
118.04237	0.2
119.05018	100.0
120.05344	1.1
121.02936	2.9
123.04489	0.3
127.00382	1.2
132.05746	0.4
133.11301	0.3
143.04988	0.4
144.05850	0.3
145.02957	55.0
146.03305	0.5
157.06599	0.5
163.04008	76.8
164.04396	0.5
189.00389	0.4
211.13326	0.4
216.83403	0.3
219.06648	6.0
237.07690	3.7
260.02322	0.3
291.16528	0.3
323.09869	0.4
345.22925	1.3
347.24384	3.9
383.11392	62.2
384.11819	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	383.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03456	2.1
58.02962	0.2
59.01377	1.6
61.96862	0.2
62.76449	0.3
69.03455	5.4
70.02977	1.4
71.01380	1.5
73.02943	7.1
73.72928	0.2
83.01388	5.7
85.02975	0.4
87.00881	0.5
87.04507	74.1
95.02497	0.5
96.95959	0.3
99.00878	4.6
101.02441	0.4
111.45370	0.3
113.02444	9.8
113.03561	3.7
114.01945	3.3
116.92865	1.3
117.01942	0.6
127.00374	8.7
130.08723	11.3
131.03502	100.0
131.04572	8.4
131.09055	2.3
132.03896	0.4
133.02950	0.2
134.04726	0.3
150.25464	0.2
158.12068	0.3
189.00395	6.4
220.20415	0.2
244.07271	0.3
323.09998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07718	0.3
59.01385	100.0
61.98838	0.7
62.02612	0.3
63.77577	0.3
67.85280	0.3
84.63119	0.3
89.13546	0.5
92.12491	0.7
114.32803	0.3
127.94884	0.3
136.58769	0.3
157.75696	0.3
163.11401	0.6
219.72179	0.3
263.42117	0.4
279.23318	8.3
297.24365	51.9
298.24872	1.8
339.25430	30.4
340.25754	1.2
383.22360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38291	0.4
56.54448	0.5
57.03431	0.5
58.02983	4.2
59.01366	2.4
61.98825	0.5
67.03000	0.6
67.76116	0.5
71.01379	0.9
74.02461	2.3
78.95866	0.6
82.02967	0.8
83.06141	3.4
84.04544	6.2
85.02910	0.5
87.00871	8.2
88.00362	0.6
89.02513	0.8
100.56253	0.5
101.07193	9.8
107.02521	0.7
109.04077	12.4
113.02412	1.1
125.03569	3.2
127.00331	0.5
127.05123	47.3
128.03517	12.3
139.41219	0.6
145.06189	46.1
214.75345	0.6
237.22243	2.8
254.24896	30.9
268.26440	0.9
280.26453	2.3
295.22690	0.5
298.23877	2.6
303.28131	0.5
320.04425	0.6
321.29111	37.2
322.29410	1.0
323.10034	1.0
339.30106	3.8
365.28168	5.4
383.29178	100.0
384.29514	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	383.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93036	0.7
59.01369	0.7
61.98816	1.0
64.51727	0.7
79.50031	0.7
84.00889	0.8
91.84887	0.7
97.56159	0.8
99.08141	17.8
116.92811	0.9
127.07630	17.1
145.08702	58.3
151.26814	0.8
154.88914	0.9
243.16353	0.9
255.23309	100.0
383.31512	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	384.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82372	0.3
55.01864	0.3
59.01381	7.2
59.11698	0.2
61.98829	0.3
67.98924	0.2
70.43243	0.3
71.01369	1.0
71.05009	1.1
71.80281	0.2
73.02950	5.0
74.02479	0.2
83.01385	0.9
87.00867	0.3
87.04507	0.3
89.02462	0.3
91.01877	4.2
92.12387	0.4
96.95977	0.6
99.00861	2.4
99.04558	0.3
99.92573	10.3
108.04553	0.9
116.07157	1.5
116.92846	100.0
116.97302	0.4
117.01931	5.2
117.05559	15.1
117.92871	1.7
123.06837	0.2
127.00352	1.4
128.00685	0.3
131.03549	1.2
132.04538	1.1
134.02504	2.4
134.04703	0.5
134.06090	5.4
150.05589	8.4
155.51151	0.2
160.04028	29.7
160.63341	0.2
162.01956	27.4
176.03488	2.2
178.05070	3.3
189.00380	1.3
204.03114	0.3
208.73073	0.2
220.22130	0.3
222.04088	10.7
308.79492	0.3
324.07285	1.3
331.42770	0.3
384.09326	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	384.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
60.58031	0.4
61.98830	2.2
62.96339	0.4
64.34167	0.4
69.69796	0.3
73.02922	0.5
80.15775	0.3
80.88410	0.3
83.01353	0.4
88.03987	0.4
91.01881	15.4
107.03760	0.5
108.04522	2.7
108.38869	0.4
110.63348	0.4
116.92801	0.6
132.04535	4.4
134.02487	9.0
134.06120	19.4
136.03984	1.1
148.09291	0.4
150.04413	0.9
150.05609	26.0
160.04041	100.0
161.04369	0.8
162.01967	84.9
163.02351	0.4
176.03500	7.5
178.05101	11.7
204.02980	1.6
222.04092	30.3
228.42050	0.4
324.07224	4.1
384.09369	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77422	0.9
59.01374	1.1
61.98839	100.0
68.31212	1.0
82.95409	4.6
82.96000	1.1
83.02473	1.0
84.00909	15.2
114.13940	1.0
155.12740	1.2
168.52325	1.2
251.05695	1.2
253.25311	18.4
299.25952	20.2
379.29501	1.3
384.23703	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2762
Annotation	(-)-Mycestericin E
Peak:m/z	Relative Intensity
56.00885	0.3
59.01391	5.3
61.98831	0.7
74.02469	1.7
82.02980	1.9
82.19912	0.4
84.04543	5.7
85.02938	0.9
100.04063	1.6
100.07684	1.1
102.05604	86.5
128.03532	80.8
141.35257	0.4
146.03528	0.7
146.04608	9.9
154.18893	0.4
182.06429	0.4
237.22208	1.8
254.24934	5.1
255.23315	58.8
256.03696	0.5
256.23337	1.6
280.26428	0.6
294.28012	3.5
296.29623	18.2
322.27432	3.7
340.28583	13.9
366.26538	10.8
384.27600	100.0
385.27975	4.9
398.19196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10606	1.2
61.98840	7.8
74.02470	100.0
74.84658	1.1
102.80776	1.4
113.75921	1.1
116.92819	1.6
118.05067	1.6
134.51932	1.2
140.89310	1.0
154.69914	1.2
167.01880	1.1
237.67216	1.2
249.74651	1.1
265.25427	1.8
272.57346	1.2
282.95172	1.1
294.27975	9.2
296.29440	7.2
322.27588	21.0
322.30997	3.6
340.28598	46.8
384.31232	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59556	0.1
52.67526	0.1
57.34592	0.1
59.01387	100.0
60.01713	0.2
60.41220	0.2
64.34026	0.2
65.69601	0.2
69.17306	0.2
84.10803	0.2
96.67143	0.2
134.02145	0.2
139.69342	0.2
215.50024	0.2
231.38716	0.2
296.81720	0.2
302.22217	0.3
322.27750	0.4
324.29263	1.0
378.66336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	35.4
61.98832	12.1
71.01381	16.2
72.99306	1.8
73.02918	1.4
84.66496	1.5
85.02947	6.8
89.02455	12.1
90.89799	1.3
93.03441	1.8
93.13119	1.4
96.95964	2.4
101.02420	6.0
111.00858	2.1
111.70788	1.3
113.02457	3.0
116.04932	1.2
116.92908	1.2
117.71492	1.2
119.01382	6.9
119.03482	2.8
121.02928	5.9
133.02928	2.5
134.03699	2.3
135.04504	11.4
137.02438	1.4
146.06123	1.6
147.00879	1.8
149.02435	21.2
161.02446	10.3
161.72441	1.4
163.03986	7.1
163.05846	1.5
164.04796	27.5
165.01910	1.7
175.00351	39.0
179.03496	6.7
179.07121	7.1
182.48428	1.4
190.02718	97.8
191.03334	6.3
193.01422	1.7
193.04961	1.5
205.05083	100.0
206.05789	10.8
207.03024	1.9
208.03722	6.4
221.08232	12.7
223.06152	34.9
232.03696	1.4
232.73631	1.4
237.07674	1.8
237.65556	1.5
247.06096	5.3
250.04785	2.8
250.52232	1.7
265.07214	27.1
295.08258	13.7
325.09317	34.3
370.65887	1.6
385.11316	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	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57707	1.1
50.92830	1.0
51.93703	1.0
52.75330	1.0
53.71864	1.1
57.03456	2.6
57.83498	1.2
59.01384	37.0
59.84540	1.1
61.42367	1.0
71.01378	34.2
72.99294	3.0
75.00863	15.5
85.02948	29.5
87.00875	8.0
89.02435	15.4
91.05527	13.6
95.01369	5.1
99.00881	11.4
101.02412	3.0
103.00345	2.3
113.02435	35.6
115.00363	1.6
117.01966	1.5
117.03452	7.4
119.01378	8.3
133.02917	3.1
135.04491	9.9
147.00908	2.6
149.02448	11.8
157.01338	1.4
161.02483	8.0
164.04755	11.2
175.00346	40.4
179.03438	1.2
179.07014	1.3
189.01883	1.3
189.91737	1.4
190.02713	100.0
191.03088	1.7
193.01392	1.5
199.16043	1.3
205.05066	92.3
208.03770	5.5
223.06146	22.2
224.05730	1.9
231.59564	1.5
233.60461	1.6
247.06210	4.8
249.06180	6.9
260.75162	1.5
265.07230	1.7
267.07214	84.7
325.09241	2.1
385.11426	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53408	1.0
57.03450	7.4
57.03704	1.2
59.01103	2.0
59.01389	37.0
60.50605	1.1
67.01907	1.7
68.99818	2.6
69.03468	2.2
71.00994	1.3
71.01384	34.4
71.57605	1.1
72.99304	7.3
73.02953	1.9
75.00883	25.9
77.05667	1.1
85.02467	1.9
85.02957	37.9
85.73505	1.1
87.00888	17.1
89.02440	16.0
89.26855	1.2
91.03994	1.4
91.05534	49.4
95.01368	8.2
99.00873	14.7
103.00367	2.7
110.87480	1.2
113.02450	48.6
115.00345	1.2
117.01933	6.1
117.03466	5.8
121.02942	4.5
135.04500	12.1
175.02490	1.7
231.05038	1.9
239.51358	1.2
249.06151	38.0
265.54291	1.7
266.32635	1.2
267.07224	100.0
279.28217	1.3
291.19934	1.3
385.11414	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01120	0.3
59.01390	100.0
60.23352	0.3
61.98839	5.5
69.28176	0.3
69.92667	0.3
71.01382	0.4
71.96577	0.3
73.02950	0.7
73.73711	0.3
85.02927	0.3
88.94400	0.3
89.02419	0.3
89.08246	0.3
89.80090	0.3
91.01147	0.3
92.11700	0.4
93.29988	0.3
101.02446	0.4
109.02966	0.5
123.04501	0.4
145.02982	0.5
147.02571	0.3
158.03835	0.7
159.04475	1.3
221.06140	0.3
239.07222	0.7
266.05811	0.6
267.06573	4.5
268.07236	0.4
281.08554	0.4
282.09134	1.8
297.11444	1.7
341.10590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2599
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
52.58803	0.4
54.82569	0.4
56.52217	0.4
59.01376	1.8
60.24284	0.4
61.98808	0.4
62.47267	0.4
64.24463	0.4
65.80399	0.4
71.01376	0.4
75.00888	3.4
75.55639	0.4
81.71683	0.4
91.03983	0.7
93.01687	0.4
97.06571	0.6
122.42390	0.4
123.08145	0.6
125.06039	0.4
125.09721	4.7
128.90422	0.4
141.09230	1.7
141.12906	1.0
153.09192	1.0
155.14449	2.2
157.12315	0.8
171.10257	3.3
199.09763	0.8
200.10539	3.4
249.22253	2.7
265.21768	1.8
267.23212	0.8
275.20154	1.8
293.21222	13.4
301.51776	0.5
309.20703	1.8
311.22311	100.0
312.22641	2.0
336.08170	0.5
359.97952	0.5
385.25964	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	385.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97411	0.5
59.01389	100.0
61.37501	0.5
88.04045	14.3
89.02445	14.1
89.04386	0.9
103.65922	0.5
114.04525	0.6
139.65144	0.5
151.63602	0.6
262.68091	0.6
295.22873	1.0
304.47495	0.8
348.25461	1.1
349.25494	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	385.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82585	0.2
56.96123	0.1
59.01387	2.4
60.01725	0.2
61.01824	0.5
61.98841	100.0
72.89722	0.1
85.46487	0.1
92.12370	0.2
102.21250	0.1
116.92867	0.2
233.29518	0.1
250.65004	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	386.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56118	0.7
56.39906	0.9
58.00594	1.1
59.01385	67.3
61.98542	1.5
61.98834	27.3
71.00989	1.2
71.01381	31.4
72.99300	3.6
75.00832	1.0
83.01369	1.5
85.02957	7.5
87.00852	1.7
89.02444	38.8
95.01367	2.1
96.96010	1.6
99.91448	0.9
101.02427	21.6
113.02456	14.2
116.05057	3.9
116.71357	0.8
119.03497	14.9
119.05002	1.9
120.82001	0.9
136.04019	4.8
148.03801	1.0
163.03918	1.0
179.05681	1.0
181.05090	1.1
181.07208	1.2
187.28011	0.9
203.83315	1.0
204.08539	1.9
206.04572	1.0
249.06119	1.3
303.47708	1.1
323.13510	100.0
386.10803	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	386.274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73895	0.2
57.03446	0.7
59.89329	0.3
64.90376	0.3
65.84616	0.3
78.29731	0.3
82.70671	0.3
83.61687	0.2
86.66607	0.3
100.04043	2.9
134.54306	0.3
148.04395	42.6
166.11627	0.3
179.63879	0.3
225.83864	0.3
237.22287	4.7
253.25426	1.7
280.26471	24.6
281.21469	0.4
281.26776	0.7
294.28046	14.0
295.28687	0.4
308.25778	2.6
338.27045	13.1
339.27148	0.5
342.28323	1.3
386.27390	100.0
387.27664	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	386.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13045	0.3
59.01387	100.0
62.40780	0.3
62.46753	0.3
64.86278	0.3
67.38825	0.3
112.59062	0.3
135.95270	0.4
141.01718	0.8
162.25363	0.4
205.45563	0.4
326.30859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35262	0.8
55.01852	1.1
56.33055	0.9
57.03442	4.7
59.01109	1.8
59.01384	30.9
61.98826	8.7
68.99805	1.3
69.03445	2.4
71.01041	1.4
71.01381	26.5
72.99299	5.9
73.02937	5.4
75.00872	18.5
77.46884	1.1
82.35818	1.3
83.01368	1.6
85.02946	26.4
87.00876	10.5
87.38480	1.0
89.02427	9.2
92.18447	1.0
93.03448	64.2
95.01368	6.5
96.96005	1.8
97.28834	1.2
99.00875	13.5
101.02454	2.4
103.00378	1.5
108.02169	1.2
113.02446	29.6
113.68508	1.1
114.39245	1.5
115.00394	1.8
115.31995	1.0
117.01944	4.4
129.01923	1.6
129.10274	1.1
134.61497	1.0
137.02438	100.0
138.02716	1.2
144.04543	7.0
146.06128	19.4
175.02527	1.8
189.44554	1.1
190.05113	19.1
191.65201	1.1
196.06670	1.2
207.05095	1.2
211.06216	9.7
231.05086	1.3
240.49350	1.1
249.06155	43.2
267.07220	40.2
325.09424	1.6
327.06409	1.2
341.10983	1.5
352.10376	7.2
361.32291	1.2
387.09348	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.2
58.99599	3.2
59.01382	71.2
61.98835	100.0
71.01383	33.8
72.99320	3.8
73.02937	5.7
76.76657	2.9
83.01412	3.2
85.02956	7.2
89.02445	30.6
92.65163	3.6
96.95998	15.8
99.00900	18.5
101.02442	21.7
102.98609	42.3
105.03485	6.3
113.02472	12.7
119.03518	5.8
121.02930	6.3
133.02943	37.2
144.04582	6.9
146.06137	29.7
147.04568	5.8
149.25388	3.0
161.63661	2.9
162.05630	3.8
172.04070	5.0
177.01984	5.1
190.05078	37.7
272.99911	3.9
327.10663	4.7
352.10312	5.5
387.12878	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1085
Annotation	Emmaosunin
Peak:m/z	Relative Intensity
54.82290	0.6
59.01373	3.3
61.98825	1.0
66.98309	0.5
73.77660	0.6
87.26220	0.6
95.01382	0.8
109.02919	0.8
115.67898	0.6
115.78609	0.6
117.03455	7.6
119.05006	100.0
123.00842	3.2
125.02392	1.2
137.02449	1.0
138.03188	3.6
139.00348	2.7
139.03972	2.8
139.57983	0.6
140.66876	0.6
145.02942	20.5
149.02429	1.0
151.00447	0.7
153.05595	1.2
163.03992	74.4
165.01918	6.5
165.79559	0.6
166.02690	0.8
166.29604	0.7
177.05539	0.9
178.02707	5.8
179.03551	0.8
180.04253	3.3
180.07043	0.6
181.01427	1.5
183.06615	0.9
193.01375	11.6
193.05042	3.1
194.02115	0.9
195.06570	1.1
196.03668	1.0
207.02989	0.6
208.03770	12.2
211.06149	6.5
223.06099	7.1
223.67506	0.6
233.65402	0.7
241.07193	11.7
244.53430	0.6
263.33942	0.6
267.05072	1.0
372.08289	1.0
387.10840	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06324	0.9
50.42767	0.7
57.03447	1.1
58.00585	2.0
59.01386	72.7
60.60916	0.9
65.56037	0.8
66.47700	0.8
66.66550	0.9
68.25802	0.8
71.01380	47.6
71.16364	0.8
72.99318	4.8
73.02946	1.4
76.93772	0.8
78.95918	1.9
83.01397	1.5
83.46207	0.8
85.02946	11.0
87.00859	1.4
87.78409	0.9
88.96878	0.9
88.98810	6.0
89.02439	70.7
90.10273	1.0
90.79149	0.9
95.01367	2.0
96.96015	1.0
101.02438	25.5
113.02441	23.4
116.92897	0.9
119.03482	24.7
127.00299	1.0
131.03528	5.0
134.07455	0.9
143.03522	4.5
161.04567	4.2
179.05621	19.8
213.71645	1.0
326.71255	1.0
327.13089	1.2
341.10907	100.0
342.11499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.7
57.03452	4.9
59.01388	100.0
61.98839	8.5
71.01386	53.0
72.99305	2.8
73.02947	8.9
83.01386	5.9
85.02950	20.1
85.34834	1.3
87.00903	1.7
89.02446	39.3
93.03561	1.1
95.01384	2.9
96.96033	4.0
99.00856	5.3
101.02441	45.0
102.98606	1.5
113.02459	22.1
116.92864	1.4
117.05588	8.2
119.03525	13.3
143.03555	4.7
146.06110	2.4
161.04597	16.1
165.05931	6.7
172.03990	2.8
172.40079	1.3
179.05638	6.5
191.67645	1.4
234.12859	1.2
252.83603	1.2
279.10800	9.2
319.90363	1.2
327.11249	86.6
328.11487	1.3
341.10968	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	387.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.2
62.73403	1.5
64.12074	1.2
75.70589	1.1
76.58382	1.3
79.13393	1.3
79.95043	1.2
94.05384	1.4
99.08150	6.4
127.11285	5.7
130.08720	2.2
135.56807	1.2
139.11302	8.4
152.44984	1.3
165.12846	8.5
167.14427	2.4
171.10229	19.8
183.13861	5.9
193.08528	3.0
193.12192	1.6
211.13419	39.7
221.11620	1.6
221.94968	1.4
229.14465	18.9
233.11639	25.2
249.10985	2.4
251.12674	5.5
329.23389	73.5
330.23642	2.9
351.21588	17.6
380.64191	1.5
387.19263	100.0
388.19388	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	387.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61923	0.9
57.03453	0.9
57.97563	1.7
58.00594	1.9
59.01382	12.5
61.98824	1.5
71.60012	0.8
72.28561	1.0
77.22903	0.8
99.08150	8.0
102.49905	1.0
102.68845	0.9
113.09710	1.7
127.07667	1.3
129.09190	7.5
142.47679	1.0
153.12874	2.3
163.56699	1.0
165.12863	1.7
169.12323	10.9
169.34506	1.2
181.12344	9.8
183.13908	1.1
193.12260	4.2
197.11758	1.9
199.13394	28.4
211.13428	17.9
219.10025	6.8
221.11601	13.8
227.12752	1.4
229.14484	1.2
233.11548	14.0
235.09409	1.1
249.11075	9.7
253.10266	1.0
265.10602	1.3
279.93503	1.2
293.21265	2.1
311.22348	3.6
315.19748	1.0
329.23346	100.0
330.23590	4.6
351.21487	39.2
352.21954	1.3
387.19223	67.5
388.19220	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51625	1.8
54.01864	1.4
58.00593	1.9
59.01390	16.0
60.15712	1.5
61.98843	23.8
72.97853	2.3
75.00866	3.3
99.08158	3.4
125.09714	1.9
127.11255	3.7
129.09192	3.9
139.11314	10.5
153.12883	2.2
155.10782	1.7
165.12862	2.9
169.12373	7.0
171.10284	32.2
181.12376	9.3
193.08472	25.5
193.12207	2.2
199.13432	19.0
201.11320	18.8
206.42131	1.8
211.13406	14.2
219.10089	7.3
221.11574	13.1
223.09454	13.6
225.09740	2.4
233.11594	12.7
249.11206	2.3
275.20288	2.1
281.04404	1.9
293.21271	4.4
293.89368	1.8
311.22171	3.9
329.23373	100.0
351.21558	73.7
387.19254	78.5
388.19910	2.3
401.00940	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1918
Annotation	Trimethobenzamide
Peak:m/z	Relative Intensity
57.03445	2.1
57.97548	0.9
59.01379	4.3
59.29410	1.0
59.30899	1.0
61.98814	6.8
64.63386	0.9
71.35880	1.0
72.60994	1.1
91.63306	1.0
99.08131	7.8
125.09708	1.8
127.11308	8.2
139.11285	32.1
157.12312	4.6
163.68805	1.0
171.10277	59.0
183.13945	1.6
193.08481	19.6
201.11667	1.3
211.13460	7.6
229.14282	1.7
233.11557	4.5
251.12386	1.4
293.21280	1.4
314.77466	1.2
329.23370	62.0
330.23923	2.4
351.21515	8.1
381.79282	1.2
387.19223	100.0
388.19739	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	387.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39870	54.2
51.72071	51.4
53.02832	46.0
59.01381	100.0
61.07361	47.6
61.67833	44.9
105.53359	56.0
116.92883	51.8
123.46970	51.9
125.76073	50.6
135.39345	50.8
201.97717	58.4
227.01749	55.2
247.66463	55.0
400.95065	59.1
402.13120	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27424	0.3
59.01377	1.1
61.98828	0.9
70.21616	0.4
72.99307	0.9
75.00869	100.0
85.07696	0.4
122.89660	0.4
131.69086	0.4
139.11252	0.5
171.10316	2.2
183.14270	0.4
193.12364	0.9
193.72522	0.4
211.13423	1.0
293.21335	0.9
310.72867	0.5
311.22293	12.1
329.23593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84035	0.2
56.68700	0.1
56.76344	0.2
59.01386	100.0
61.98842	0.5
64.64876	0.2
67.97055	0.2
71.47495	0.2
86.22348	0.2
91.15428	0.2
92.12349	0.3
93.25640	0.2
122.78284	0.2
141.01697	0.8
152.09213	0.2
154.86075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82570	0.2
59.01397	100.0
60.01724	0.2
61.98849	2.4
62.60221	0.2
68.07684	0.2
76.57611	0.2
88.04036	3.5
88.04454	0.2
89.02495	0.3
89.33326	0.2
129.70563	0.2
141.01772	0.4
148.43565	0.2
200.67758	0.2
209.81506	0.3
229.30615	0.2
256.10468	0.2
350.27112	0.4
351.27747	1.3
352.74692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02095	0.8
51.15183	1.0
53.35183	0.9
59.01375	1.9
61.98832	5.1
63.00330	1.0
72.99306	2.2
76.76516	1.0
91.03006	1.2
98.20336	1.0
102.98577	1.1
116.05058	1.1
119.45541	1.0
142.70062	1.2
144.04547	2.2
146.06125	100.0
157.63730	1.0
172.04047	60.3
188.03625	1.2
190.05151	6.1
203.74815	1.0
265.26328	1.2
296.31421	1.2
334.09506	13.1
352.09830	1.2
388.07886	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	388.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82549	0.3
59.01387	0.4
61.98838	100.0
63.34294	0.2
71.13266	0.3
73.42806	0.2
80.97876	0.3
86.74181	0.3
107.30228	0.3
163.67622	0.3
181.03148	0.3
410.93051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1822
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01879	1.8
57.03445	1.1
58.00579	1.3
59.01387	98.0
61.98835	39.1
62.98547	1.1
69.03474	0.8
69.26149	0.7
71.01382	37.1
71.66840	0.7
72.99319	3.1
79.05511	1.2
83.01364	1.3
85.02942	9.6
87.00868	0.9
89.02435	31.8
95.01350	1.8
101.02433	17.4
113.02448	9.9
119.03479	14.6
119.04988	5.0
121.02959	7.1
131.03563	1.0
134.03728	1.2
144.04544	1.9
145.02911	3.6
147.11804	1.6
160.04015	3.6
162.05585	10.5
163.03996	1.8
163.05986	1.1
165.12852	1.5
175.04033	1.0
179.05653	1.9
188.03542	3.7
206.04596	5.1
207.18071	0.9
209.04509	1.6
209.11842	31.0
225.11345	1.0
227.12863	3.7
278.06625	1.9
278.56812	1.6
285.09216	1.1
285.71811	1.0
389.18185	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78072	0.6
55.01887	1.1
57.03450	1.3
58.00596	1.8
59.01391	100.0
61.98817	1.0
62.04093	0.7
69.68826	0.7
71.01389	39.4
72.99297	4.1
73.02953	0.8
83.01385	3.3
85.02955	8.8
89.02441	42.6
95.01382	3.0
96.34277	0.9
101.02441	24.3
113.02444	13.5
119.03481	17.3
121.02918	3.3
123.04639	0.8
161.04504	0.9
163.93233	0.8
165.12889	3.6
166.02667	1.0
174.04938	0.8
179.05627	3.6
181.04977	1.1
209.11870	13.0
227.12912	0.9
389.18207	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01875	1.2
58.00583	1.2
59.01390	68.2
63.47229	0.9
71.01043	1.2
71.01387	23.6
76.58141	0.8
85.02934	6.3
89.02439	28.4
101.02431	15.4
112.05910	0.8
113.02438	8.3
119.03510	9.2
120.95364	1.0
130.99976	0.8
147.11790	3.5
191.10754	1.5
209.11827	21.7
295.42288	1.1
389.18179	100.0
390.18460	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
57.03449	1.2
58.00594	1.8
59.01385	99.3
61.52614	0.7
61.98833	69.5
62.08353	0.8
67.06621	0.7
71.01380	39.5
72.99297	1.8
73.02942	1.2
78.02567	0.8
79.05531	1.9
83.01385	1.4
85.02956	11.1
87.00850	1.4
89.02432	33.0
95.01356	1.7
96.96006	1.7
101.02435	18.8
113.02431	12.0
119.03489	14.0
120.99612	1.4
145.02933	1.3
146.06145	4.5
147.04561	1.4
147.06450	1.5
147.11813	3.6
162.05690	1.0
179.05643	4.3
190.05092	6.3
191.05492	1.9
191.10803	1.9
209.11833	37.0
293.08542	1.2
312.58691	0.9
327.10980	1.7
327.17889	0.9
361.31815	1.0
370.59238	1.0
376.51141	1.0
389.18213	100.0
390.18530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	23.5
60.66124	0.5
61.98837	4.7
62.59002	0.5
68.99572	0.5
69.18372	0.6
74.61007	0.4
87.02949	0.6
88.04033	9.1
89.04369	0.8
103.26296	0.5
115.94892	0.6
116.92854	0.8
125.02611	0.6
134.43039	0.6
143.18404	0.5
144.18660	0.6
241.93356	0.7
253.21745	3.2
286.98340	0.6
295.05426	0.5
307.22815	100.0
308.23141	3.0
320.29968	0.6
352.28671	2.1
353.28821	4.3
389.23145	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27231	6.5
51.65979	7.1
53.79764	5.4
56.57277	6.3
59.01388	100.0
76.57637	8.2
92.12354	8.8
109.13664	6.9
184.77588	7.9
192.78548	9.8
213.27026	8.4
313.00681	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	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07567	14.0
54.30998	16.2
59.01373	100.0
61.98809	31.4
68.29633	18.4
82.61098	15.4
84.00867	20.1
89.02422	17.2
117.45594	18.0
119.37110	15.9
123.43359	19.6
150.79613	17.0
221.82457	16.5
389.30923	19.2
396.30695	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64901	0.3
59.01388	2.8
61.98832	100.0
71.01392	0.6
73.02938	0.4
76.11877	0.3
77.36068	0.3
78.76437	0.3
79.43787	0.3
85.02973	0.4
88.04076	0.4
89.81165	0.3
101.02442	2.1
109.87780	0.3
114.29433	0.4
127.32235	0.3
161.04562	1.7
162.83873	0.4
168.72522	0.3
178.24185	0.3
227.20186	18.9
273.57001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2679
Annotation	ent-15,18-Diacetoxy-3,13-clerodadiene
Peak:m/z	Relative Intensity
54.82626	0.7
54.82879	0.6
57.50862	0.5
59.01387	34.8
59.52993	0.6
61.98823	2.7
65.85677	0.6
74.59650	0.5
83.87283	0.5
85.00432	0.5
107.27609	0.6
109.33334	0.6
116.92844	1.3
174.80251	0.7
256.16748	0.6
307.26447	100.0
308.26740	3.3
389.26743	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	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
70.77183	0.3
71.21677	0.4
77.79662	0.4
80.05505	0.3
88.48832	0.3
92.12354	0.4
146.02675	0.4
149.27005	0.4
163.43430	0.4
177.38103	0.3
247.17792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.11336	0.5
63.08786	0.4
79.07334	0.4
92.16942	0.4
112.24619	0.4
127.34211	0.4
131.09206	0.4
350.28076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50282	0.4
53.16093	0.4
54.82574	0.5
59.01395	4.7
61.98843	100.0
63.40651	0.4
64.31973	0.4
68.30188	0.4
71.01387	1.0
96.96025	1.0
98.35867	0.5
146.06169	2.5
167.03526	0.7
172.04179	1.8
232.88013	0.4
314.94763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87139	0.2
57.80697	0.3
59.01125	0.4
59.01379	2.6
61.98844	100.0
64.59853	0.3
64.69212	0.3
79.95739	0.4
80.66851	0.3
84.47981	0.3
96.96001	10.5
96.98368	0.3
148.58870	0.3
252.15521	0.3
319.80038	0.3
391.18069	3.6
413.48602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70213	0.1
59.01384	0.2
61.98836	100.0
65.02454	0.1
65.64191	0.1
70.21262	0.1
78.95908	0.1
80.83656	0.1
84.50805	0.1
88.98828	0.2
94.15909	0.1
122.35847	0.1
210.71159	0.1
227.77010	0.1
293.07819	0.1
327.21896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95343	0.3
51.74018	0.2
56.76836	0.3
56.83479	0.2
57.71221	0.3
59.01392	3.0
60.58200	0.3
61.98837	100.0
71.65353	0.3
71.96284	0.3
78.95895	3.6
100.80984	0.3
110.13415	0.3
127.92314	0.3
137.21422	0.3
141.65332	0.3
149.46638	0.3
189.07246	0.3
290.86008	0.3
308.16397	0.3
354.26758	0.5
391.18851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98838	100.0
66.35051	0.6
70.30185	0.6
99.23206	0.6
115.65612	0.8
138.50081	0.6
138.73442	0.6
203.35727	0.7
222.07271	0.6
354.31049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
69.85690	0.4
71.12578	0.4
71.37805	0.4
92.12386	0.6
92.64867	0.4
96.29582	0.4
119.28285	0.5
128.10783	1.9
130.08723	100.0
131.09100	0.7
198.07472	0.5
324.27164	0.5
390.30185	47.7
391.30576	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	391.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83044	0.6
55.67158	0.5
59.01386	13.9
61.98822	1.2
71.01380	9.1
72.99293	0.9
73.02936	0.7
82.95420	55.8
83.01415	0.6
85.02957	1.2
89.02435	6.7
98.99628	1.4
100.40804	0.7
101.02431	2.8
111.00860	0.9
113.02448	1.4
114.01957	4.1
117.03423	1.2
117.58562	0.7
119.03506	0.8
121.02938	6.4
121.04144	0.6
123.04458	0.7
123.16277	0.7
132.02173	1.3
133.02924	1.1
134.03738	44.8
137.02415	1.2
149.06090	10.9
150.03230	1.3
160.01651	13.6
163.78757	0.7
175.03995	15.9
175.05325	1.1
176.04710	3.0
178.02725	8.9
179.31680	0.7
186.04166	17.5
187.03885	1.0
188.04721	1.6
191.07167	6.0
193.05070	58.4
194.05431	2.5
200.05777	16.6
201.06592	48.5
202.07381	1.0
203.07127	0.6
206.05775	0.8
209.04523	1.4
214.07413	1.2
215.08121	5.1
216.08926	100.0
221.08257	3.5
224.05699	0.9
229.06055	16.5
233.05594	10.1
235.06163	9.1
237.88130	0.8
238.07358	4.5
244.08408	69.5
247.06049	7.2
253.08382	0.7
265.07184	29.9
266.07321	0.8
282.06354	1.0
295.08243	6.9
298.09509	12.8
315.12198	2.9
341.10132	6.4
355.10287	7.5
359.11258	4.3
373.12637	1.4
391.13785	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58636	0.9
59.01390	7.4
61.98838	41.7
63.40786	0.7
77.79984	0.8
78.95899	3.8
79.95744	33.8
80.96517	4.6
92.05054	4.1
95.95233	4.0
96.96013	100.0
113.09693	1.8
119.05073	1.3
139.11319	1.2
144.65471	0.8
163.04027	1.4
171.10265	4.4
175.08788	6.0
185.11832	4.5
193.05396	4.3
211.13435	3.8
262.58994	1.1
293.21387	4.7
309.20889	1.4
311.22366	5.4
331.14081	1.0
331.18735	1.0
374.65588	0.9
391.18039	65.1
392.17877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.2
61.98539	1.3
61.98833	25.6
73.05373	0.8
78.95899	1.4
79.95726	15.4
80.96518	4.1
95.12995	0.8
95.95222	4.7
96.96004	100.0
97.02910	0.9
116.21548	0.7
121.79002	0.8
139.11227	1.3
171.10420	2.6
185.11787	1.1
190.50508	0.8
211.13477	1.2
284.11591	0.9
293.21259	6.7
311.22366	6.3
331.19296	0.9
391.18039	49.1
392.18518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1893
Annotation	Zoamide C
Peak:m/z	Relative Intensity
59.01393	5.1
61.98835	3.9
78.95901	100.0
79.95728	0.3
92.12305	0.5
93.11479	0.2
96.96950	11.9
96.97565	0.5
108.99825	0.3
111.40926	0.2
157.99733	0.3
201.65509	0.2
373.17889	1.0
376.02780	0.3
391.18930	41.1
392.19485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06304	1.0
55.92251	0.9
57.03448	4.7
59.01384	29.2
61.98832	40.6
64.34174	1.0
69.03454	5.7
71.05009	2.8
73.45429	1.1
78.95887	2.3
79.44000	1.0
80.91651	1.2
83.05025	2.8
85.06611	2.0
87.04568	1.3
95.05050	1.3
96.96043	1.3
97.02937	11.4
97.06599	1.5
108.05887	1.1
109.06593	2.8
111.04529	1.9
121.62008	1.2
137.09727	1.6
167.10825	1.8
175.11256	1.7
177.12857	13.2
179.14409	2.2
195.13876	14.1
198.26422	1.3
205.12506	1.7
206.23370	1.1
221.15468	11.6
223.13440	6.6
223.17006	26.3
229.19623	1.3
239.16505	1.2
243.10077	1.6
245.11580	100.0
247.20692	1.7
249.15025	1.7
262.11896	12.1
291.19720	30.0
305.12473	2.3
309.20746	68.5
313.18063	1.2
331.18881	21.8
375.18073	1.3
391.15982	1.9
391.20663	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	391.2106
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
51.00499	1.7
52.24647	1.6
57.03448	3.2
58.20095	1.7
59.01389	52.2
60.51942	1.7
61.98591	2.1
61.98840	34.0
64.34636	1.9
67.36623	1.7
69.16199	1.9
71.05017	23.1
71.52560	1.8
79.47617	1.8
79.95718	4.3
81.48190	2.0
89.56687	2.0
96.96002	100.0
96.96971	2.9
97.06565	8.3
102.22394	1.9
102.40404	2.0
120.08765	2.1
121.10232	4.9
125.09704	9.4
131.05408	2.0
134.45059	2.2
137.09721	23.5
171.10275	74.4
171.51987	2.3
173.26007	2.0
185.11777	8.5
205.15898	4.1
207.10030	4.6
207.13916	3.3
219.13876	2.4
235.17033	3.7
251.16499	19.9
257.11548	3.0
273.14795	11.0
291.19669	53.9
309.20743	84.0
313.17783	21.1
317.21310	2.5
331.19113	73.9
332.19449	2.7
365.11185	2.0
375.18021	10.6
384.99625	2.2
391.17792	28.7
391.21396	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	391.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
58.97259	0.4
59.01389	6.8
61.98832	7.0
63.87884	0.4
68.01415	0.6
72.27350	0.4
85.31372	0.4
99.08134	0.9
103.47536	0.4
103.48216	0.5
103.67216	0.4
113.09704	2.0
116.44503	0.4
152.99580	2.6
179.14435	0.6
181.12392	0.6
183.13885	2.5
195.13908	17.3
215.95297	0.4
230.73773	0.4
255.23286	12.0
277.21729	19.1
293.21207	0.7
295.22787	100.0
296.23169	3.6
387.97833	0.5
391.22629	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56696	0.4
52.64907	0.4
57.03438	0.8
59.01388	6.2
61.98831	0.6
64.82645	0.4
88.04549	0.4
90.09776	0.4
125.09728	2.0
127.11315	0.5
141.12875	0.8
152.99577	3.1
155.10727	0.7
171.10265	31.1
183.10300	2.4
217.49660	0.4
251.23717	0.6
255.23305	19.3
277.21729	40.2
278.21964	1.6
278.94650	0.5
295.22794	100.0
296.23178	5.9
297.23349	0.4
391.22464	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01156	5.9
59.01385	100.0
61.01805	6.1
62.80699	5.8
67.12846	6.7
82.48055	7.1
85.97883	7.3
130.08727	13.2
131.94197	7.0
158.03452	8.4
311.20804	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	391.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72048	1.7
59.01385	100.0
60.17758	1.8
66.67686	1.5
68.16119	1.6
69.36538	1.8
69.97746	1.8
70.31366	2.2
84.00919	4.4
98.84649	1.7
123.76157	2.0
128.62848	1.8
147.47523	1.9
266.08804	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	391.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20728	0.3
51.70151	0.3
59.01396	19.7
59.83596	0.4
61.98843	17.0
126.31953	0.5
127.03365	0.5
309.28012	100.0
310.28305	3.2
325.49640	0.5
391.28378	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	392.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29376	0.2
61.98840	100.0
62.01680	0.3
62.83909	0.2
71.08466	0.2
74.68039	0.3
78.95909	0.5
96.95995	0.3
119.03626	0.3
151.59778	0.3
158.53621	0.3
161.02541	0.4
227.03488	0.5
247.03412	0.3
257.72516	0.3
271.02570	0.5
299.01907	2.0
314.04468	1.4
329.06781	1.9
341.84201	0.3
391.18292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53154	0.4
56.28478	0.4
57.48473	0.5
59.01381	0.9
59.91487	0.4
61.98833	100.0
65.97536	0.6
68.37479	0.4
74.02492	1.0
81.70933	0.5
83.01497	0.5
96.96020	1.7
99.05674	0.6
105.01037	0.5
106.87996	0.5
119.05376	0.8
128.03543	3.6
143.04634	3.8
179.04626	0.6
210.08890	0.8
218.59569	0.5
254.07877	0.9
266.58475	0.6
269.18121	0.4
272.09097	0.9
273.07599	0.5
392.14725	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	392.15
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
54.82423	4.5
58.02973	8.3
59.01384	9.0
61.98810	6.9
69.79991	4.4
74.02466	29.7
76.76520	4.4
86.02484	10.5
87.05590	5.5
87.77570	4.4
96.95975	7.9
99.05617	30.0
101.07210	6.8
109.04042	6.5
119.05350	37.8
125.03474	5.4
127.05099	6.1
128.03514	72.9
135.05646	5.0
143.04614	100.0
146.04593	6.8
153.06602	5.5
159.40891	4.4
178.07344	8.6
179.04596	31.5
181.06180	4.9
186.85542	4.5
197.05768	4.8
210.08855	22.0
215.55403	4.8
226.42184	5.1
254.07895	40.0
272.08878	42.4
322.79337	4.5
336.63770	5.1
374.13852	7.9
392.15005	80.9
410.21255	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	392.2083
Annotation	Pulchellamine G
Peak:m/z	Relative Intensity
51.18349	1.3
52.26428	1.6
53.38005	1.6
55.95698	1.8
59.01381	2.9
61.98829	8.0
69.70521	1.7
71.01374	3.0
79.95723	4.7
85.68114	1.7
86.16910	1.6
89.00187	1.7
99.04467	2.2
111.08128	1.7
119.05013	15.2
130.08727	100.0
137.06190	2.8
138.06870	2.1
139.07648	7.9
166.12392	9.0
181.08812	3.2
198.11407	3.6
203.31587	1.9
210.11371	9.9
220.61348	1.9
252.12424	21.7
273.12436	4.3
302.21268	2.4
374.19791	2.9
389.56305	2.1
392.20779	47.0
393.19760	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	392.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
59.53068	0.1
61.98835	100.0
66.16451	0.1
66.17622	0.1
89.77103	0.1
96.96002	0.2
227.59283	0.1
274.88000	0.1
329.23416	0.7
333.11685	0.1
375.35818	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	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64990	0.2
61.98832	100.0
80.87766	0.2
88.53242	0.2
93.42326	0.2
150.74159	0.2
154.71222	0.2
155.03078	0.2
224.55009	0.2
245.89828	0.3
329.23453	1.0
395.09714	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76837	0.2
61.98837	100.0
65.17386	0.2
72.05683	0.2
78.95921	0.4
130.24994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82811	0.6
54.83060	0.9
59.01382	1.9
61.98835	100.0
70.03635	0.7
79.95735	3.8
92.05076	1.0
96.96010	11.5
119.05031	1.7
121.02974	2.0
121.82835	0.8
163.04039	4.8
392.18335	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	392.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02533	1.8
53.96115	1.8
59.01400	33.8
61.98842	100.0
70.62822	2.2
80.90415	2.3
92.31915	2.2
96.95981	3.4
99.13566	2.6
110.59322	2.1
202.31909	2.5
219.44803	2.2
249.64197	2.7
311.22290	2.7
332.28128	5.5
382.88248	2.4
392.18716	3.5
392.25018	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	392.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.71385	0.5
61.98540	0.8
61.98833	15.6
67.89313	0.5
72.24111	0.5
78.95878	0.5
82.95411	1.3
93.03423	0.5
123.75205	0.5
125.09795	0.6
127.07686	0.6
145.84447	0.5
149.87827	0.5
193.08478	0.7
201.11319	1.3
201.25305	0.5
223.09468	1.3
224.17491	1.0
261.27576	0.6
262.01099	0.6
263.12677	0.8
293.21030	0.6
311.22299	3.4
323.10504	0.6
333.20544	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	392.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38740	0.3
56.38026	0.3
58.02990	0.3
63.10782	0.3
63.15317	0.3
64.57053	0.3
67.70917	0.3
82.06617	0.3
92.12506	0.4
102.29568	0.3
103.86064	0.3
107.27538	0.3
128.10817	1.9
130.08722	100.0
131.09056	1.9
304.21561	0.4
348.32770	1.6
382.08099	0.3
392.31735	47.4
393.31946	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39832	0.2
58.00587	0.4
59.01384	18.7
64.80077	0.2
71.01383	7.1
72.99309	0.3
77.72419	0.2
78.95908	1.0
79.75564	0.2
79.95728	1.4
80.34806	0.2
80.52876	0.2
82.95404	0.3
85.02939	1.4
89.01890	0.3
89.02438	9.2
92.12453	0.5
95.01369	0.4
96.95999	100.0
101.02430	5.5
113.02445	3.0
113.92591	0.5
114.93447	0.3
116.92856	0.5
119.03483	4.6
127.01707	0.2
141.01674	1.7
143.03487	0.5
151.10385	0.2
170.61060	0.3
274.09573	0.3
295.10345	28.6
296.10498	0.3
331.03464	0.3
358.35693	0.3
393.07150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1824
Annotation	Brucine
Peak:m/z	Relative Intensity
54.92455	0.4
59.01361	0.5
60.50334	0.4
61.98851	0.4
69.07217	0.5
78.95901	0.8
94.62568	0.5
114.39432	0.5
120.04596	0.7
133.02972	7.1
134.03735	100.0
135.04527	13.8
137.02454	2.0
144.71294	0.6
147.04546	1.2
148.04234	0.5
148.05286	5.1
149.06082	93.1
150.06380	0.8
160.03999	0.7
161.02454	5.4
161.06100	6.3
162.03186	1.0
171.47235	0.5
175.02739	11.9
176.03526	13.7
190.05139	8.3
194.02188	0.9
204.06676	13.3
218.08328	0.9
247.10941	8.6
256.68826	0.5
278.57327	0.6
316.42798	0.6
377.15118	33.6
378.15768	6.6
393.18280	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	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89439	1.5
57.03464	14.6
58.00621	2.3
59.01387	16.7
61.98576	1.9
61.98832	28.3
62.69681	1.5
80.91674	3.7
80.96502	8.8
82.95400	7.4
85.02950	3.4
87.04514	44.2
92.11792	3.3
103.08275	1.7
191.61688	1.7
201.08974	1.7
203.10486	2.4
221.15733	2.3
223.12602	1.8
223.17061	61.3
235.17026	3.8
243.13605	8.7
245.15175	9.8
273.14612	2.3
275.12643	8.5
275.20084	2.9
277.14212	16.1
293.21118	4.1
303.19180	1.8
307.15115	2.2
311.22308	72.4
315.19342	3.7
331.18823	7.4
333.20502	100.0
377.19232	1.9
393.20834	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	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82273	0.8
57.03451	1.0
57.35421	0.8
58.02971	1.2
59.01384	19.5
61.98827	1.1
68.06855	0.8
69.03485	1.0
70.68908	0.8
77.15251	0.8
78.95905	7.6
83.05024	1.1
84.02814	0.8
85.74664	0.9
87.00861	25.0
88.00399	36.5
88.01221	4.8
88.04034	42.5
88.98775	1.4
89.02439	36.4
93.03437	2.1
112.15349	1.0
121.06644	1.1
125.09722	1.9
135.94003	1.0
139.11285	6.3
149.09796	1.4
165.12891	3.8
168.13942	2.0
171.10252	3.5
185.11850	4.8
194.10953	1.0
207.09991	7.0
211.13402	23.9
229.15991	1.9
233.11612	8.8
239.57303	1.1
247.20650	8.7
257.15442	22.7
293.21234	51.4
294.21378	1.1
311.22324	10.1
315.19437	100.0
316.19742	4.3
324.38351	1.0
333.20551	12.2
393.19287	1.0
393.22977	15.8
394.23492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56836	1.4
54.22633	1.4
56.46271	1.4
57.03449	3.2
59.01389	29.5
61.98837	4.3
63.42676	1.6
78.95901	3.4
80.69209	1.6
96.42507	1.7
121.10272	2.4
125.09707	7.3
127.11295	9.6
130.18645	1.7
135.65677	2.1
139.11287	23.5
171.10277	100.0
179.10576	9.3
185.11855	9.5
195.12842	1.7
201.11351	16.6
207.10042	57.5
223.11935	2.8
225.09676	1.8
233.11676	2.8
250.59721	2.1
267.10834	3.1
275.20172	6.9
293.21286	11.5
311.22324	86.8
311.31738	1.7
315.19724	1.8
333.20468	7.0
377.19470	4.1
393.22528	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	393.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43756	0.7
55.61113	0.8
57.03445	1.6
58.21065	0.7
59.01392	20.6
61.98819	1.4
80.91687	2.1
83.05020	3.4
97.02946	1.9
97.06571	1.0
99.08170	3.4
113.09695	3.5
121.10222	2.0
125.09695	4.2
137.09683	0.9
139.11276	10.2
163.11305	1.6
165.12828	6.4
171.10257	23.9
181.12312	1.1
185.11858	1.9
193.08447	8.7
193.12337	13.8
207.10004	1.1
211.13448	7.9
215.10558	4.9
219.10089	1.3
225.18570	4.0
233.11642	17.2
244.01985	0.9
244.93419	1.2
249.22180	2.0
262.11731	1.0
293.21219	22.4
311.22284	100.0
312.22580	1.6
315.19421	1.8
333.20496	16.2
357.26154	1.4
366.93747	1.0
377.19476	1.2
393.22601	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	393.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94674	0.6
59.01384	7.0
59.98523	0.6
66.66356	0.6
71.01375	12.6
80.91679	6.2
108.92414	0.6
116.92895	0.7
125.09697	2.4
125.99353	3.7
131.74849	0.6
139.11249	0.8
141.09224	1.3
141.12830	0.6
148.26143	0.8
152.99754	0.6
153.09390	2.0
155.14494	0.9
165.01674	7.6
171.10233	1.3
183.01234	0.7
193.04854	1.2
193.08472	2.2
200.10580	0.8
221.07899	2.4
222.08743	100.0
223.09132	1.3
236.10336	6.0
249.22165	1.1
254.07762	8.9
282.09604	3.1
293.21298	5.5
311.16766	2.1
311.22324	34.3
312.22635	0.8
333.20514	59.0
334.20734	2.4
393.21548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19293	0.9
52.01511	0.8
57.03453	1.4
59.01387	27.6
61.98826	4.6
72.64751	0.9
78.95895	1.6
80.91666	1.2
82.85096	1.2
97.02941	1.8
99.08147	2.3
113.09711	9.9
139.11293	33.2
139.81198	1.0
151.73474	1.0
163.11320	1.5
165.12843	6.6
171.08989	1.9
171.10284	27.4
185.11859	1.1
193.08469	13.9
207.09998	9.2
211.13443	5.2
215.10547	5.4
225.18631	15.9
233.11588	23.0
249.22290	1.7
275.20123	1.9
291.71512	1.2
293.21265	36.9
294.21500	1.3
308.72919	1.2
311.22314	100.0
312.22617	6.0
315.19449	6.1
333.20529	42.3
377.19580	1.3
381.14023	1.2
393.22607	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	393.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
60.01095	0.2
66.55151	0.2
68.01411	0.4
72.99273	0.3
81.26492	0.2
121.23866	0.3
125.09707	0.3
127.11316	1.1
138.83746	0.3
141.12854	0.4
153.12895	0.3
155.10774	3.2
171.10272	4.2
261.22226	0.4
279.23285	9.5
295.22787	0.6
297.24384	100.0
298.24731	4.3
340.88736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20091	0.4
58.02988	35.6
59.01392	0.7
61.92009	0.4
61.98853	0.5
64.34880	0.5
70.02604	1.2
70.02982	34.2
71.02511	4.8
72.00901	0.7
83.05336	0.5
87.05623	5.4
88.16473	0.5
92.11697	0.8
92.66345	0.6
95.02498	3.5
96.00904	34.4
96.99318	0.5
98.01208	0.6
99.92574	5.3
111.01988	0.8
113.03565	22.8
114.01959	47.7
115.92063	1.2
116.92862	5.0
129.71744	0.5
131.04608	24.2
278.24850	11.8
304.26535	4.5
331.27542	2.3
332.25854	0.5
349.28641	3.1
375.26535	61.7
393.13696	2.4
393.27612	100.0
394.27805	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88173	37.7
59.01387	49.8
61.98845	59.7
63.28168	46.7
66.15736	44.7
66.23862	41.9
67.77757	44.1
84.00903	100.0
88.87246	62.7
99.92561	54.3
108.59482	46.6
116.92879	88.7
145.39084	52.8
189.88754	48.8
212.83163	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64858	2.6
53.22969	2.5
54.71434	2.5
59.01379	6.7
61.98820	16.7
66.23524	3.0
67.71728	3.1
83.99975	2.4
84.00426	3.5
84.00906	100.0
105.18092	3.2
116.75634	3.6
116.88383	3.3
116.92828	5.2
117.92706	3.0
248.69902	3.3
305.70529	3.8
311.16809	4.1
331.02039	3.5
360.01044	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	393.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32253	6.3
59.01380	43.3
59.30777	7.2
62.13126	6.6
63.12358	7.4
72.49551	6.6
84.00900	12.7
86.02060	6.9
191.03619	7.8
196.54753	7.2
295.26556	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	394.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
65.00330	0.3
66.92446	0.3
73.52866	0.3
79.95751	0.5
101.83582	0.4
102.73248	0.3
107.01361	0.4
109.49823	0.3
125.29289	0.3
130.08693	0.4
151.00423	0.4
164.04852	0.4
228.91451	0.3
283.80765	0.4
314.19156	0.3
331.08380	0.6
366.12640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
59.01371	2.9
62.39466	0.4
65.52852	0.4
65.80721	0.3
67.79756	0.4
69.03459	0.9
71.01380	4.3
71.05008	2.4
73.37987	0.4
76.56670	0.4
83.05014	2.4
85.78417	0.5
89.89503	0.4
91.54188	0.4
93.03445	1.0
96.95995	0.8
98.06087	0.5
108.02163	0.6
109.02945	0.7
111.04520	3.3
111.08158	7.6
113.06094	3.3
114.80376	0.4
121.06590	0.7
123.08170	5.0
130.08728	76.9
131.08992	0.7
141.09087	0.6
147.08162	12.5
154.12376	15.2
156.30212	0.5
165.09238	6.3
166.12340	2.7
174.86577	0.5
175.11258	2.3
182.15506	0.5
185.13385	0.7
185.44699	0.5
198.11340	3.9
199.11290	0.5
201.12852	2.5
210.11397	3.9
219.13898	2.3
225.58557	0.5
260.16580	2.7
314.21219	0.5
376.21130	0.7
394.22382	100.0
395.22668	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	394.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	15.3
58.03272	0.5
59.01376	2.4
61.98829	0.9
69.95712	0.5
70.02968	1.0
70.27882	0.4
71.01381	19.8
71.89568	0.5
73.31477	0.5
82.47668	0.5
83.00989	0.4
87.24712	0.5
88.04036	100.0
96.99290	4.6
114.01958	3.1
115.00367	23.2
132.02998	4.5
140.49878	0.5
184.91113	0.5
213.47127	0.5
223.20001	0.5
278.24893	11.8
279.23312	29.9
279.26416	1.0
304.26489	1.0
322.24002	0.6
332.25897	1.8
350.27084	19.2
355.11218	0.5
376.24936	1.1
394.26019	92.1
419.19791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.4
61.98843	88.6
68.02531	59.0
78.06284	13.2
99.92604	46.0
112.84151	11.3
115.92081	18.5
116.92869	100.0
299.20178	66.9
299.25732	17.8
319.69730	12.0
324.38187	11.1
341.33694	10.8
351.49872	11.5
395.15729	18.0
401.03891	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	394.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28771	9.0
56.97839	8.8
59.01388	22.1
61.98837	100.0
62.48014	9.6
62.71127	9.8
74.02480	19.6
119.79986	10.2
188.29044	10.9
245.59795	11.9
298.65179	12.8
302.24924	86.3
349.33719	11.1
366.88937	13.5
395.29080	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	394.3325
Annotation	Semiplenamide E
Peak:m/z	Relative Intensity
58.94039	0.4
66.44823	0.4
75.42639	0.4
79.22898	0.5
89.57880	0.4
116.38906	0.4
128.10875	0.8
130.08722	100.0
131.09065	1.6
135.26501	0.4
148.55095	0.3
158.23749	0.4
174.75769	0.4
175.04691	0.4
278.97275	0.4
305.63580	0.4
324.01309	0.4
350.34326	1.9
394.33267	42.8
395.33575	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	395.153
Annotation	Mirabegron
Peak:m/z	Relative Intensity
71.27908	0.4
84.93867	1.0
87.87727	0.4
99.92575	60.6
100.92679	0.9
100.93349	10.6
102.75441	0.4
109.38062	0.4
115.92066	47.2
116.92851	100.0
117.92849	2.1
127.95692	0.5
167.22446	0.5
175.98828	0.5
230.99681	1.8
306.05606	0.7
320.07199	4.8
333.15463	0.4
337.72574	0.6
347.13422	0.5
351.16327	0.5
373.11133	1.0
377.14264	22.4
377.19058	0.9
378.14368	0.7
391.12259	1.7
392.43463	0.5
395.15341	46.6
396.15491	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11590	0.5
52.82707	0.5
54.31744	0.5
57.06568	0.5
59.01364	0.9
61.98828	4.3
63.25032	0.5
64.78355	0.4
69.26748	0.5
71.01376	10.5
74.56296	0.5
79.89235	0.5
87.05623	0.9
92.65369	0.6
96.00253	0.5
97.73559	0.5
99.92568	3.4
100.93359	6.7
115.00333	1.2
115.92065	100.0
116.92084	0.7
116.92825	2.9
139.58998	0.6
149.09697	2.8
163.11281	13.3
185.19279	0.7
219.10310	7.5
225.59195	0.6
274.16943	0.7
276.35397	0.5
279.23273	13.2
304.02936	0.6
344.09799	0.6
346.34116	0.7
395.22177	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	395.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33836	1.0
55.01888	2.5
57.03457	100.0
59.01387	78.1
64.33780	0.9
70.84456	1.0
71.01384	26.1
73.02952	11.1
75.69144	1.0
80.44218	1.1
81.03455	1.2
81.72372	1.1
83.01393	4.9
85.02952	16.2
86.13332	1.0
89.02433	6.5
95.01360	2.2
99.00888	5.8
99.04512	55.9
101.02440	45.1
101.02986	0.9
111.93674	1.1
113.02427	13.2
119.03519	1.4
125.02448	27.7
143.03464	1.6
159.03065	1.7
161.04544	18.7
174.05614	1.6
251.11371	45.4
284.02155	1.2
293.12433	14.7
333.15744	1.3
395.15442	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	395.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10430	0.8
53.45875	0.9
55.01894	1.3
57.03455	100.0
57.54905	1.0
59.01384	76.8
63.90312	0.9
71.01379	28.0
73.02945	12.7
76.95309	1.0
80.85925	1.0
81.03451	1.2
83.01378	5.8
83.35634	1.0
85.02941	14.2
87.00829	1.2
87.86853	1.0
89.02438	6.2
96.96019	1.8
99.00874	3.8
99.04507	57.2
101.02431	43.9
106.04015	1.0
113.02419	12.3
119.03455	2.2
125.02428	25.7
130.06633	9.4
135.46259	1.1
143.03485	6.5
146.06082	1.7
159.02975	1.1
161.04567	12.7
174.05603	18.3
174.49081	1.1
207.27110	1.1
216.55267	1.1
249.88110	1.1
249.90782	1.1
251.11342	41.7
252.11536	1.5
273.93655	1.3
293.12396	12.2
317.91498	1.3
333.15402	2.2
395.15616	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	395.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
56.19679	1.0
56.82532	0.8
57.03456	100.0
59.01385	84.8
71.01371	24.9
73.02949	11.0
75.00839	1.4
83.01393	6.0
85.02947	14.1
89.02438	6.3
99.00882	4.0
99.04516	54.4
101.02442	45.2
105.36119	0.9
113.02442	13.6
116.92832	6.6
119.03439	1.9
125.02452	24.7
128.65765	1.0
143.03537	1.8
159.02971	4.0
161.04541	14.8
233.10461	1.8
251.11363	54.1
289.70624	1.2
293.12427	11.6
310.53348	1.2
333.15427	1.9
395.15698	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	395.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01883	0.3
59.01385	2.9
68.61036	0.4
77.84613	0.3
81.94585	0.3
92.12500	0.7
93.03443	0.6
105.23309	0.3
106.35811	0.4
107.05036	2.1
117.03459	1.6
118.18753	0.3
119.05023	40.2
119.89739	0.4
133.02887	0.6
134.03738	1.7
135.04521	100.0
136.04880	0.8
145.02982	4.9
161.02443	2.6
163.03958	0.9
216.10292	0.8
232.09834	2.7
233.12991	1.8
249.12440	7.1
259.10907	14.7
275.10373	13.6
311.43149	0.4
395.16144	21.3
395.21384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
69.30455	0.2
79.95741	1.6
96.95997	100.0
110.83277	0.2
114.70721	0.3
130.08737	0.3
153.76639	0.2
172.57034	0.3
218.93219	0.3
288.61176	0.3
293.86630	0.2
306.62039	0.3
354.35992	0.3
395.21112	40.4
396.21298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66721	0.2
51.20108	0.2
59.01371	0.5
60.29180	0.2
60.87583	0.2
61.98817	1.4
69.61009	0.2
70.27963	0.2
71.38297	0.2
74.69629	0.2
78.95894	4.4
82.20428	0.3
82.95407	6.5
92.11797	0.5
95.19440	0.3
107.02678	0.2
110.98522	3.3
152.99545	0.6
167.01146	0.6
185.02228	2.3
204.49944	0.3
225.09697	0.3
227.20180	100.0
228.20509	1.4
395.21997	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	395.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98820	1.2
64.34191	0.3
66.14912	0.3
75.30838	0.3
78.95901	4.7
79.74761	0.3
80.57175	0.2
110.98529	3.1
127.42406	0.3
139.25478	0.3
152.99603	0.4
162.15144	0.3
167.01163	2.0
185.02206	2.2
227.20186	100.0
228.20514	0.6
357.98703	0.3
368.27484	0.3
395.22012	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	395.2226
Annotation	Kazinol F
Peak:m/z	Relative Intensity
57.03441	1.2
59.01374	2.8
61.96581	0.6
61.98825	2.6
62.29897	0.7
63.01585	0.6
63.95295	0.6
65.47994	0.6
92.11655	1.6
99.92575	4.9
100.93363	6.6
115.92068	99.2
116.92054	3.0
116.92844	4.1
117.52402	0.8
149.09711	21.7
163.11282	100.0
168.66026	0.7
179.10703	0.9
219.10289	41.4
219.13692	2.1
231.10269	1.4
264.10071	1.5
297.24243	5.3
388.68359	0.8
395.22217	82.5
396.22501	1.2
398.49368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	7.0
59.01379	12.5
60.41945	1.1
61.98831	8.2
63.81195	1.4
80.91663	2.0
82.95396	2.8
95.05026	2.3
97.06571	1.4
97.78426	1.2
99.08141	37.1
127.07633	8.1
129.09207	66.7
130.09444	1.1
144.65392	1.2
181.12344	2.0
183.13873	63.4
195.13873	4.7
203.10585	1.7
223.13181	13.8
237.11020	1.9
267.12100	7.7
277.21774	5.6
278.11398	2.3
295.22748	8.6
299.20096	2.5
299.34497	1.2
313.23880	81.2
314.24133	1.5
317.20941	15.8
331.18832	5.4
335.22086	100.0
336.22247	4.5
353.21887	2.2
367.19806	5.0
379.21387	3.7
395.23282	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	395.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00245	0.7
52.94191	0.8
59.01377	4.8
61.98835	4.1
65.04844	0.8
67.14133	0.8
71.01378	75.0
74.44725	1.0
87.05614	1.5
100.93392	1.0
105.42886	0.9
115.00368	15.9
115.91230	1.3
115.92062	28.2
116.92844	2.0
121.84625	1.0
124.48804	0.9
136.04750	1.1
142.22070	1.0
163.11258	1.7
185.07344	1.1
279.23291	100.0
280.23557	2.3
297.24332	1.1
395.21939	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57429	17.7
59.01358	18.1
61.98828	100.0
72.00902	24.1
100.99613	19.6
116.92864	42.4
131.80385	21.3
163.11307	32.4
179.10464	19.4
186.58661	23.2
187.88004	20.7
196.41255	20.4
291.09167	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2592
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
57.03450	28.0
59.01374	2.0
59.77839	0.4
61.98814	1.1
62.00049	0.4
62.23616	0.4
73.51350	0.4
75.00881	0.4
91.12879	0.4
96.96911	0.5
100.94601	0.4
116.92815	0.6
131.13420	0.5
147.08163	0.6
161.23907	0.5
163.11275	100.0
164.11613	2.6
168.09039	0.4
219.13905	31.2
220.14233	0.8
227.03471	0.5
297.24341	10.6
299.25659	0.5
306.04114	0.4
337.21756	4.4
395.25922	73.6
396.26205	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	395.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65783	0.7
57.73918	0.8
58.02717	1.6
58.02982	29.7
59.01381	1.7
61.98830	9.2
65.46773	0.8
68.17020	0.8
69.16998	0.9
70.02977	29.4
71.02497	4.8
87.05628	3.7
90.77851	0.9
95.02521	3.0
96.00909	29.6
113.03578	18.6
114.01971	40.3
114.38890	0.8
116.92837	1.2
131.04620	23.6
213.86841	0.8
215.30096	0.9
219.95918	0.9
280.26440	19.3
299.25870	1.7
306.28070	4.9
324.25467	1.1
351.30054	1.7
377.28119	53.2
378.28436	1.2
394.29504	1.0
395.29193	100.0
396.29614	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	396.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29743	0.3
54.42518	0.3
56.52825	0.2
59.01395	5.3
61.98835	1.6
71.01391	0.4
76.16792	0.3
84.62959	0.3
85.02944	0.3
87.00881	2.2
89.80770	0.3
92.11629	0.5
95.15871	0.3
99.00854	0.4
125.02392	0.4
128.05054	2.2
130.06612	42.3
139.18214	0.3
146.06113	9.4
155.12454	0.3
156.04552	2.9
161.04550	1.6
169.01434	1.2
174.05597	100.0
175.05968	0.7
179.05629	2.7
184.03825	0.4
199.06107	0.7
241.55028	0.4
336.10931	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	396.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01392	7.1
61.02305	0.4
61.98822	2.1
69.51586	0.4
71.01377	0.7
72.11769	0.4
73.02959	0.7
85.02922	0.6
87.00858	0.9
89.15556	0.4
96.96019	1.7
99.04519	0.7
125.02429	0.5
128.05057	2.1
130.06618	46.6
146.06137	6.1
147.03299	0.7
156.04559	1.9
161.04572	0.6
162.05656	0.8
174.05595	100.0
175.05951	1.8
179.05589	1.9
223.06053	0.7
223.82178	0.5
276.97293	0.5
336.10782	2.2
372.09711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26900	0.3
54.93058	0.3
56.94492	0.2
59.01382	0.5
61.98833	100.0
62.36645	0.3
62.37762	0.3
71.52092	0.2
75.63443	0.3
82.95406	5.1
84.00913	2.9
84.95134	0.3
88.43381	0.3
88.44480	0.3
92.12349	0.3
111.56501	0.3
121.37875	0.3
149.57373	0.3
285.29727	0.3
302.65060	0.4
311.22684	0.4
313.22903	0.5
326.42746	0.4
359.35162	0.3
393.89908	0.3
396.20081	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	396.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01407	0.5
59.49869	0.5
61.98841	0.8
63.11496	0.4
76.79553	0.5
82.95406	0.6
83.04995	0.7
84.04520	3.5
84.78273	0.5
96.96011	0.6
97.06557	0.5
99.92573	13.6
100.92550	0.6
115.92065	2.7
116.92077	0.7
116.92845	7.2
118.89964	20.7
119.90002	0.6
134.02774	1.8
134.89427	0.7
135.90280	3.5
206.78519	0.5
261.22198	5.9
277.21756	2.4
278.22107	2.8
304.26477	100.0
305.26816	0.8
326.60202	0.6
360.14069	2.4
362.27158	0.6
396.11688	7.5
396.25803	19.3
397.11868	0.8
416.50922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93518	44.0
59.01373	92.7
59.94744	53.3
94.31738	53.8
116.92888	66.1
121.81470	51.7
149.37532	60.0
264.38080	60.5
329.87900	65.0
394.23578	58.5
396.31281	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	396.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39013	8.2
52.02615	9.4
54.82352	9.2
57.53057	9.6
60.47204	9.8
62.27103	9.1
66.54072	10.6
80.59251	9.3
85.12805	9.7
99.92528	15.6
104.66186	11.5
104.67533	9.7
146.38879	9.8
157.10745	10.1
179.20937	12.2
215.04333	11.7
304.26471	100.0
396.11276	13.0
396.25967	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01796	1.4
56.14262	1.5
58.02972	8.2
59.01151	2.0
59.01387	33.5
61.98837	2.6
70.05354	1.7
71.01379	26.8
72.92721	1.6
86.28561	1.9
87.69540	1.4
88.04035	100.0
96.99316	2.1
115.00354	18.4
116.92863	4.0
132.03017	4.5
132.61404	1.8
182.42104	1.7
280.23730	3.1
280.26459	23.9
281.24783	29.8
282.25473	1.9
283.57767	2.3
292.42029	2.2
324.25500	1.9
352.28632	17.3
396.27570	96.5
397.27869	7.0
409.12518	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3485
Annotation	2-Docosanamidoacetic acid
Peak:m/z	Relative Intensity
50.14388	0.7
51.05949	0.6
51.40195	0.6
55.99756	0.7
82.06596	0.8
82.48177	0.8
82.92802	0.8
116.92757	1.0
130.08723	100.0
131.09058	1.0
263.75439	0.8
267.55161	0.8
282.28000	0.9
308.11725	0.9
352.35843	4.2
396.34824	65.8
397.35403	1.2
419.88007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48397	0.1
55.01887	0.4
57.03445	0.2
59.01111	0.2
59.01385	4.2
61.98827	0.3
71.01382	2.9
73.02934	1.0
82.95415	0.2
83.01369	1.0
85.02944	2.0
85.96973	0.2
86.00103	0.2
87.34917	0.2
89.02436	0.7
95.01402	0.2
99.00854	0.3
101.02425	2.9
113.02431	0.9
117.03455	25.8
118.14500	0.2
119.05013	5.5
128.84840	0.2
145.02956	100.0
146.03310	0.9
152.40144	0.2
160.04021	0.2
161.04541	0.3
163.03999	5.2
171.10339	0.2
201.11441	0.2
307.84698	0.2
361.22314	1.1
397.15060	34.8
398.15408	1.4
402.52353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96487	0.4
56.30284	0.5
56.45296	0.4
59.01376	6.1
59.13444	0.5
60.99292	2.2
61.98834	1.2
65.80767	0.4
75.21194	0.5
84.95113	3.5
87.00879	0.7
87.59726	0.5
112.91479	0.5
120.31093	0.6
183.52707	0.5
187.57741	0.6
217.00305	1.1
228.20529	0.8
229.20934	0.6
269.19153	1.2
271.20639	6.1
289.21796	9.5
311.22250	0.9
315.19699	100.0
316.19998	3.0
397.19980	47.8
407.80957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90969	0.2
57.78961	0.2
59.01377	0.5
64.97009	0.4
79.95732	13.9
80.96506	1.2
91.04223	0.2
94.16216	0.3
94.98073	1.2
95.95219	3.3
96.96000	89.7
106.56929	0.3
107.38882	0.3
122.97569	5.5
131.93486	0.2
138.97073	0.6
167.00185	0.4
183.17645	0.4
212.84142	0.3
274.04852	0.3
288.13651	0.3
397.22656	100.0
398.22910	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	397.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.66593	19.5
61.98834	26.4
62.18224	20.3
63.52933	21.7
100.65752	23.1
122.99104	21.9
159.80084	20.1
163.53804	23.3
201.11383	49.1
213.11313	26.1
222.69469	20.8
244.19658	24.2
278.07855	23.0
390.90979	23.1
397.16965	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24428	16.6
59.01382	100.0
59.67817	17.4
61.98821	21.5
96.95977	27.3
110.00972	21.9
116.92818	22.2
119.79316	25.3
171.48285	20.7
198.55595	26.6
217.00394	31.9
299.26004	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06023	0.9
54.82828	1.1
56.93697	1.1
59.01384	1.6
61.98837	100.0
63.50780	1.2
72.85680	1.0
73.97001	1.1
75.23904	0.9
87.00859	1.4
92.11770	1.1
119.05013	16.3
130.08720	2.2
132.04573	1.2
133.02908	1.3
145.02963	12.8
147.03268	24.4
159.03217	8.9
160.04059	28.1
162.05586	11.3
172.04039	11.4
173.04803	5.6
188.07245	1.4
189.06717	58.0
215.04617	2.5
265.61115	1.2
335.10446	85.2
336.11392	1.4
350.18353	1.3
404.21033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.6
60.23052	0.3
61.98827	0.7
62.41012	0.4
69.03454	5.3
70.02980	1.8
71.01382	3.4
71.01707	0.3
71.02562	0.3
73.02937	0.7
78.95913	0.7
84.09829	0.3
85.02937	0.6
87.00883	3.0
87.04507	83.2
88.04043	1.9
88.04854	0.3
89.02459	0.6
92.05010	0.8
95.02478	0.9
96.95998	5.7
96.96970	0.7
101.02432	2.0
111.02007	0.4
113.02449	10.1
113.03571	4.1
114.01968	4.5
114.05619	0.6
116.92877	0.4
119.03511	0.5
119.14979	0.3
130.06616	0.5
130.08772	2.5
131.03497	100.0
131.04572	9.8
132.03011	0.7
132.03877	0.7
134.04730	1.5
135.59511	0.4
142.74432	0.4
143.04620	0.4
144.04529	0.7
146.08252	0.4
148.04080	2.4
155.66064	0.4
156.06699	0.4
173.04733	0.4
174.05574	1.8
218.10309	1.6
249.06192	1.4
339.09296	0.4
339.13156	1.3
398.10925	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	398.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82947	0.1
61.98835	100.0
63.35814	0.1
75.50174	0.1
85.43343	0.1
88.04044	0.2
91.56081	0.1
150.53423	0.2
184.77431	0.2
229.03900	0.1
398.25458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98838	100.0
75.29166	0.2
87.19444	0.2
101.40649	0.2
134.69128	0.2
139.83493	0.2
171.10277	0.4
200.80025	0.2
201.11366	0.3
241.56569	0.2
241.99681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93356	0.7
59.01387	100.0
61.98835	78.9
64.34402	0.8
65.76424	0.7
66.75224	0.6
73.05444	0.8
75.53386	0.7
82.95421	3.7
84.00924	0.7
84.95125	1.1
86.02463	1.1
87.00879	1.1
120.48168	0.7
156.37584	0.8
174.32214	0.9
313.23883	1.8
317.21301	6.2
318.24246	0.9
320.26044	4.0
337.79388	0.8
338.27176	7.5
380.36011	1.1
398.21396	7.2
399.21536	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	398.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.4
76.14088	18.6
76.57148	17.8
79.02056	13.2
99.92577	100.0
111.01573	15.2
116.92845	28.4
118.89954	63.9
161.17743	15.1
187.91182	16.8
230.75172	15.8
254.14992	19.4
255.23288	84.1
279.23349	98.9
280.23590	36.3
318.68011	16.9
331.40909	19.6
366.07236	16.5
398.12994	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82733	42.0
61.03246	41.6
67.26246	46.4
94.53081	55.3
97.47963	54.3
116.92860	100.0
161.83966	50.7
231.48723	51.2
278.39264	57.5
327.22372	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98939	0.2
59.01384	0.3
61.98835	100.0
73.02920	0.4
75.89355	0.2
103.86244	0.2
115.23335	0.2
119.88439	0.2
127.00387	0.4
174.05608	0.4
175.05951	0.4
176.03601	0.2
189.00458	0.3
205.51335	0.2
365.38824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20863	0.2
59.01368	0.7
60.56179	0.2
61.98837	100.0
85.02936	0.5
87.57010	0.3
107.94537	0.3
111.00856	0.3
127.00329	1.1
130.06607	0.5
132.29607	0.3
134.03716	0.4
143.35004	0.3
174.05632	0.5
188.58458	0.3
202.77750	0.3
389.95834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1089
Annotation	Piscerythrol
Peak:m/z	Relative Intensity
66.99902	0.4
69.03437	2.7
73.42444	0.5
89.02480	0.6
93.03441	1.3
107.04848	0.6
109.02921	0.7
117.03457	9.3
119.05018	100.0
120.05344	1.2
121.02940	1.1
132.02156	1.0
133.02939	26.2
134.03751	5.2
135.04517	57.9
137.02438	4.2
145.02962	34.0
146.03641	0.6
149.06026	0.6
152.98645	0.5
159.04498	2.0
161.02441	57.0
161.06027	6.0
163.04007	73.2
173.06053	0.8
179.03493	12.9
235.06100	10.1
237.07695	2.3
253.07184	37.2
399.10880	95.6
400.11395	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1299
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
52.64902	0.5
53.92796	0.5
55.01885	0.9
55.34657	0.5
57.03435	1.0
59.01394	15.4
61.98829	4.7
62.40509	0.6
69.03422	0.5
71.01390	11.4
73.02946	1.1
83.01364	2.9
85.02968	5.3
87.00871	0.6
89.02477	5.2
91.03999	1.1
92.11846	0.9
93.03428	1.3
96.95995	0.9
98.42552	0.6
99.00861	0.9
101.02425	7.3
113.02432	3.0
117.02665	1.4
117.03454	29.2
119.05016	71.7
120.05265	0.6
120.09592	0.6
121.06598	0.7
134.03687	0.9
137.09688	8.1
143.03497	0.8
145.02954	100.0
159.02943	0.7
160.08926	2.6
161.02507	0.8
161.04523	3.1
163.04005	71.7
175.11256	3.3
193.05115	0.6
219.06828	0.8
219.10292	2.4
237.07629	1.5
266.23795	0.8
363.16782	0.7
399.12952	47.0
400.13147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03443	1.3
58.00592	2.3
59.01384	66.7
61.93575	0.5
61.98507	0.8
61.98828	21.2
61.99127	1.0
69.00134	0.5
71.01380	29.7
71.05013	0.6
72.99297	3.2
73.02934	1.3
82.80924	0.6
83.01385	3.0
83.05018	6.6
85.02950	9.3
87.00886	1.0
89.02435	26.7
91.05503	1.2
93.03487	0.8
93.07083	5.1
95.01384	1.4
96.95982	1.2
99.00890	1.1
101.02433	14.3
111.00897	2.6
113.02439	11.0
117.03443	9.4
119.03514	6.9
119.04990	9.5
121.02937	0.9
123.08185	0.7
125.02461	0.6
130.03294	0.6
131.03525	0.6
133.06633	0.6
133.10226	9.5
134.03725	0.7
144.04637	0.7
144.05803	0.9
145.02951	34.5
145.06584	9.7
146.06120	1.2
146.08205	6.5
157.10219	2.5
158.07324	2.9
159.08138	7.5
160.08936	70.0
161.04491	0.8
161.09270	1.2
163.03979	5.9
173.09679	10.5
175.11270	100.0
176.11584	2.4
179.05556	1.0
190.05092	1.3
217.11946	1.2
219.10269	92.8
220.10628	2.9
251.06770	0.6
277.12323	3.9
300.20694	0.6
307.14072	0.7
363.16016	5.5
399.12772	8.3
399.16641	38.4
400.17078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27497	1.1
58.00596	1.6
59.01383	78.3
59.72522	1.3
61.98844	4.5
71.01376	31.7
77.98171	1.6
83.05031	2.4
85.02933	10.5
89.02431	23.1
91.05524	6.2
93.07082	5.8
100.54439	1.7
101.02424	16.6
113.02454	14.0
119.03490	6.2
119.05034	2.6
133.10210	10.9
145.06616	7.8
157.10219	3.4
159.08165	6.8
160.08923	63.3
173.09711	10.6
175.11267	100.0
194.65138	1.4
219.08153	3.6
219.10260	81.6
220.10713	1.8
270.52414	1.7
281.08725	1.8
284.17999	1.4
399.16714	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38073	0.2
59.01385	0.3
60.42651	0.2
60.45504	0.2
60.52074	0.2
61.98827	0.2
65.09724	0.2
65.39267	0.2
66.33164	0.2
75.13208	0.2
79.70509	0.2
92.12421	0.2
99.00865	0.3
99.92579	4.3
100.92647	0.4
100.93351	6.4
113.79315	0.2
115.92066	100.0
116.92067	0.8
116.92844	2.8
132.92368	0.8
168.97667	0.2
178.32506	0.2
253.25319	0.4
299.25922	0.4
300.26306	0.3
381.17828	0.3
399.17871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83128	0.4
55.84067	0.3
59.01389	5.6
60.81975	0.3
60.99291	0.8
61.91732	0.4
61.98800	1.8
66.31777	0.4
92.11713	0.7
95.64486	0.4
121.02929	0.5
217.00307	0.6
273.22241	11.8
291.23312	8.3
298.57715	0.4
303.19766	3.3
317.21237	100.0
318.21646	4.7
399.21567	42.8
400.21921	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	399.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95517	0.4
59.01388	12.9
61.98833	100.0
69.74062	0.5
87.00899	0.5
138.38667	0.5
221.29980	0.5
221.32405	0.5
254.67641	0.6
281.76913	0.5
307.96378	0.5
315.39557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63208	46.1
54.27392	44.1
58.87239	39.5
59.01382	62.6
61.55531	44.1
86.08944	44.4
100.95010	52.7
116.92882	100.0
158.24245	57.2
206.91513	47.9
231.98483	57.3
233.98734	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57785	19.2
52.64960	20.1
53.29348	28.4
66.18542	21.3
105.48221	24.6
107.41977	22.5
116.92878	35.5
133.07594	24.3
156.34535	28.0
186.19643	26.5
230.32628	25.1
277.21738	31.1
339.23303	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	399.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
61.98849	0.8
62.86954	0.3
76.91364	0.3
93.17288	0.4
116.92853	0.6
166.59412	0.4
221.61417	0.3
231.49805	0.3
387.69812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98339	0.3
59.01387	29.9
59.01691	0.9
59.52910	0.4
61.98836	100.0
71.01382	5.7
71.05000	0.5
73.02956	0.8
83.01418	0.5
85.02942	2.9
88.04045	2.6
89.02460	2.5
96.96017	0.8
99.00871	0.6
101.02416	6.0
113.02484	2.6
119.03577	0.6
144.19705	0.4
146.08229	1.5
159.03076	0.5
161.04585	2.3
218.10416	2.3
230.04182	0.4
233.10638	0.5
251.11368	7.5
293.12460	6.6
341.11127	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93679	0.3
55.01868	0.3
56.78566	0.4
59.01388	8.9
61.98826	1.6
63.62436	0.4
67.88406	0.4
71.01389	6.9
72.99311	0.5
74.06237	0.4
83.01376	0.7
85.02924	0.6
87.09292	0.4
89.02443	3.5
92.11864	0.5
101.02432	2.5
104.66535	0.4
108.04557	1.8
113.02430	1.7
115.03957	0.4
119.03529	0.8
122.02480	100.0
123.02795	0.8
136.04041	64.8
137.04402	0.4
160.01628	0.6
164.03532	7.6
175.04048	0.8
179.03496	0.5
194.04539	0.5
199.21082	0.4
224.05757	0.8
314.41583	0.5
341.10916	3.7
400.12524	35.1
401.12943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83776	0.4
56.79479	0.5
57.26236	0.5
59.01374	1.3
61.98838	0.6
71.24159	0.7
75.78120	0.6
89.02442	0.9
99.92575	81.0
100.92580	2.3
101.02407	0.6
104.74837	0.6
110.79651	0.6
113.02479	0.6
115.92078	17.7
116.92072	1.0
116.92843	13.8
118.89962	81.4
119.90007	1.1
121.02924	2.2
123.33340	0.6
134.89471	11.2
135.90244	30.8
141.93639	0.9
146.93102	0.5
150.88954	3.1
151.48506	0.6
165.17970	0.6
253.23268	0.7
281.24823	1.4
282.25122	0.9
338.67340	0.6
341.11017	2.4
345.46942	0.6
364.17194	18.9
377.50681	0.6
400.14792	100.0
401.14917	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	400.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50362	0.5
55.61359	0.6
57.38515	0.5
59.01373	0.6
59.46272	0.5
61.98853	0.8
70.37398	0.5
71.01395	0.9
99.92581	100.0
100.92671	0.8
100.93353	3.3
114.93439	0.7
115.92071	39.9
116.68093	0.7
116.92069	8.1
116.92849	18.5
118.89964	87.1
119.89972	0.8
119.90737	1.1
121.02900	0.8
134.89468	9.3
135.89224	1.3
135.90248	30.8
141.93608	2.5
142.94432	7.1
143.94507	2.6
150.88953	3.4
155.95155	1.2
159.32645	0.6
177.30052	0.7
247.48276	0.6
255.23253	3.3
256.23715	1.1
274.85861	0.6
281.24881	0.9
364.17111	19.0
400.14792	99.7
401.15021	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	400.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31013	0.4
55.17543	0.4
59.01374	0.6
62.58844	0.3
71.01402	0.5
72.99281	0.6
89.02446	0.5
93.47407	0.4
108.02601	0.4
121.02918	0.6
129.90128	0.4
273.63867	0.5
277.25470	0.5
279.27075	3.7
281.28513	49.1
282.28964	0.6
327.29083	100.0
328.29449	3.0
341.11011	0.9
344.06250	0.4
344.66718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64963	5.8
59.01371	16.5
71.01363	7.4
74.30682	7.7
89.02436	13.4
90.41914	5.7
99.92558	100.0
115.92048	10.9
116.87810	8.4
116.92827	33.7
118.89957	90.7
121.02910	11.9
126.62003	7.7
134.89470	10.3
135.90244	27.7
174.40303	6.5
201.11729	9.6
202.04301	7.4
215.24718	7.7
255.23157	15.8
331.74918	9.6
341.10870	30.0
364.17166	14.2
400.14856	85.3
400.48093	9.3
401.15005	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	42.4
61.21695	14.9
71.01373	25.4
82.15020	15.8
89.02439	21.3
89.06360	17.7
90.07123	17.8
98.25205	19.8
109.93771	19.7
111.63367	19.9
111.72433	18.0
121.02956	100.0
186.69324	20.2
205.49977	19.0
257.47961	18.9
341.10785	73.9
410.31070	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03445	5.7
58.00592	2.5
59.01385	100.0
59.18199	1.0
61.02019	1.0
61.98820	2.8
63.68559	1.0
68.99769	1.3
71.01380	77.9
72.99312	8.5
73.02927	2.8
75.00873	21.4
80.60036	1.2
83.01347	2.1
85.02950	35.2
87.00853	15.1
89.02437	85.8
93.39932	1.1
95.01361	6.9
99.00850	13.3
101.02433	29.0
107.05024	12.9
108.02171	1.1
109.02981	2.7
112.38175	1.1
113.02441	52.4
117.01963	4.5
119.03490	21.7
121.02908	2.2
123.04484	6.3
131.03476	2.7
133.02986	12.2
143.03477	1.3
149.04549	2.5
151.04019	20.8
157.64638	1.1
161.04535	4.9
175.02496	2.7
175.84012	1.3
179.05595	19.3
221.46835	1.2
231.05112	1.7
249.06180	21.5
267.07214	46.1
341.10913	92.3
342.11197	1.7
401.10910	93.1
402.11111	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12864	1.2
59.01388	29.1
61.33275	1.3
61.98851	1.7
62.48400	1.1
62.63940	1.3
68.31220	1.5
71.01376	20.6
75.94907	1.4
85.02927	2.1
89.02437	27.9
93.03445	1.5
101.02416	9.1
108.02157	6.7
109.02935	11.7
113.02450	5.8
117.03481	2.5
119.03480	7.4
119.04976	1.3
123.04501	8.3
124.01633	3.2
136.01659	20.7
137.02412	8.3
139.04010	6.7
145.02985	5.7
147.04547	11.8
149.02428	3.0
151.02856	1.6
151.04019	33.5
159.04478	1.9
160.01717	2.7
161.02507	2.3
161.04617	1.9
162.03218	1.7
164.04800	1.6
173.02452	11.6
174.03201	4.9
175.04018	48.3
179.05621	8.5
190.04784	2.1
190.06384	32.9
198.06790	2.6
205.08746	15.0
211.04105	2.0
225.05650	10.5
226.06334	8.8
237.05644	2.4
238.06183	1.7
253.05144	12.7
254.05760	16.1
264.04324	2.4
265.05048	2.6
266.05704	2.1
269.08264	12.0
279.06650	8.8
282.05350	56.1
297.07712	83.2
298.08124	2.4
299.09229	15.4
311.09802	1.4
312.06479	2.4
312.10104	64.9
313.10388	2.1
327.08713	63.5
327.12430	40.8
328.30893	1.6
332.73392	1.5
341.10901	33.1
342.11011	28.4
357.13495	100.0
358.13702	2.4
401.12433	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	401.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82844	1.0
59.01383	9.6
61.98819	1.2
71.01372	2.0
88.04041	1.4
89.02427	6.4
101.02393	1.8
101.35692	1.1
108.02182	7.8
109.02928	12.2
115.48351	0.9
117.03479	1.7
119.03478	1.7
119.04993	5.6
120.05363	1.5
121.02966	1.6
123.04514	7.0
124.01633	4.5
136.01669	24.2
137.02441	6.5
139.04002	4.2
145.02962	8.5
146.03662	1.0
147.04549	14.0
149.02467	6.5
150.03122	1.0
151.04008	29.3
159.04503	1.9
160.01678	2.2
161.02438	8.1
163.03952	1.5
164.04793	1.8
173.02440	10.2
174.03238	2.4
175.02547	2.1
175.04008	46.7
179.05672	2.2
190.06371	37.9
197.06154	1.3
198.06871	4.8
205.08707	17.6
209.06096	1.4
211.03970	1.0
225.05644	13.1
226.06430	10.3
236.04959	1.1
238.06284	1.8
248.39052	1.2
253.05020	10.5
254.05818	13.8
255.06479	1.4
265.05054	2.3
269.08167	12.0
279.06674	5.9
281.04572	4.8
282.05356	56.5
283.05847	1.7
297.07703	90.0
298.08060	1.3
299.09241	14.2
312.10071	70.8
312.74271	1.2
313.10468	1.5
327.08749	61.1
327.12473	44.5
328.09232	2.1
329.23358	1.5
333.98383	1.1
341.10980	10.8
342.11108	33.4
357.13483	100.0
358.13950	1.7
401.12308	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.0
58.00592	1.5
59.01388	100.0
65.08115	0.6
68.95541	0.7
71.01382	60.9
72.99301	3.1
73.02942	1.7
83.01379	1.3
85.02950	7.4
87.00869	1.6
89.02442	84.7
92.12371	2.0
95.01367	3.4
99.33642	0.7
101.02433	27.0
113.02450	24.5
117.01934	1.0
119.03484	25.6
131.03494	3.3
143.03513	3.3
149.04614	2.9
161.04576	3.8
179.05620	21.6
202.80243	0.7
256.94647	0.7
311.34839	0.7
341.10919	92.3
342.11182	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	401.1821
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01695	0.3
55.01892	4.8
55.59560	0.3
57.03455	5.7
58.00591	0.7
59.01387	42.1
61.98830	0.6
65.36240	0.3
66.76488	0.4
71.01381	28.7
72.99287	1.8
73.02943	6.5
75.00868	0.4
83.01383	5.3
85.02949	13.4
86.00107	0.5
87.00848	0.7
89.02441	18.1
95.01356	3.1
99.00883	2.0
101.02436	21.3
111.00857	0.5
113.02454	10.2
119.03475	5.7
123.08129	3.8
131.28348	0.4
161.04582	2.0
162.05565	0.6
177.12872	6.8
179.05617	1.8
195.13937	4.1
202.47391	0.4
203.12973	0.7
221.11932	3.2
280.07477	0.6
295.09637	0.5
341.10818	8.0
365.18167	2.4
401.18195	100.0
402.18396	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	401.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63619	0.6
59.01111	0.8
59.01389	18.2
59.71899	0.6
60.73456	0.7
62.49895	0.6
64.35497	0.6
67.40932	0.6
69.03448	1.0
71.01390	8.7
83.05046	0.9
85.02953	0.8
89.02441	11.0
95.01426	0.8
95.05040	0.8
99.08143	11.0
99.97587	0.8
101.02431	4.6
113.02429	3.0
119.03517	5.5
121.02948	15.0
125.09681	1.4
137.09721	0.9
151.11345	1.0
171.10236	7.6
179.05594	3.4
193.12335	16.9
198.34384	0.8
211.13437	3.0
215.10562	1.1
225.05522	0.8
225.14993	23.9
243.16023	10.0
249.14888	0.8
255.16925	0.7
264.09695	2.8
293.21173	1.3
313.07153	3.1
325.83215	0.9
329.23367	1.5
329.45547	0.7
341.10870	15.3
343.24924	35.4
401.09009	3.8
401.20789	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	401.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82376	0.2
56.76196	0.2
59.01392	100.0
59.87251	0.2
60.58962	0.2
61.98840	13.6
71.01384	1.9
79.56913	0.3
80.79579	0.2
89.02440	2.4
101.02437	0.4
113.02456	0.3
116.92896	0.5
119.03499	0.6
121.02994	1.6
152.60155	0.3
163.11353	1.7
179.05727	0.5
246.51009	0.3
290.17990	0.3
339.23346	0.5
341.10861	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63301	9.2
59.01387	100.0
60.27233	10.2
61.98827	20.9
64.39524	11.2
71.01373	53.0
86.39700	10.8
89.02435	83.4
101.02426	12.2
109.67070	12.6
113.02401	16.9
116.92849	48.5
119.03493	22.2
121.02940	68.8
149.26103	10.7
155.90630	11.6
179.05640	13.2
279.23438	18.5
341.10858	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45616	0.4
59.01394	11.2
60.01728	1.0
61.98842	8.4
71.01389	9.4
72.01712	0.7
75.00933	0.5
78.95893	1.9
81.19956	0.4
85.02934	2.1
87.20380	0.4
89.02443	8.5
94.28541	0.4
96.96014	12.2
96.96964	0.7
101.02435	3.2
110.02477	0.6
113.02457	3.6
119.03530	1.1
131.03474	0.5
138.01968	98.3
139.07701	0.5
152.03534	5.6
153.04323	93.5
154.04652	1.1
161.04587	3.3
165.03470	0.5
168.06665	100.0
169.06993	1.1
179.05629	2.2
196.06146	2.8
209.99236	0.6
240.05324	0.6
341.11041	4.5
342.11380	6.3
402.10422	3.2
422.96570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14823	0.1
59.01394	2.6
61.98840	100.0
79.42693	0.1
92.12380	0.2
114.96864	0.1
116.92866	0.6
122.49696	0.1
130.08739	0.2
143.13997	0.2
163.11287	9.1
164.11594	0.2
242.63696	0.1
339.23312	6.0
340.23532	0.2
396.46451	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70172	0.8
56.76880	0.9
59.01378	3.9
60.97517	1.6
61.98824	1.2
63.96231	5.7
66.99556	0.7
70.99618	0.8
72.00533	1.3
72.00907	18.0
74.02470	7.0
76.97014	3.8
77.00648	4.7
79.95718	5.0
86.00690	12.5
89.02409	0.9
93.92444	0.9
100.00397	1.0
100.04018	4.3
104.16347	0.8
114.98582	1.5
125.80354	0.8
156.06621	1.1
164.03870	18.3
237.22215	6.8
248.48250	0.9
253.25122	1.1
254.24942	5.3
255.23352	2.0
260.23428	0.9
267.27011	1.5
280.26413	16.5
281.21335	1.1
282.24384	4.6
294.24893	1.8
294.28046	44.4
294.31320	1.8
295.28384	1.6
324.23688	3.7
338.26971	7.7
358.28043	1.9
387.24585	6.2
402.26859	100.0
403.27197	5.1
421.36340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30706	0.3
59.01372	1.0
61.56308	0.3
61.98811	0.4
72.00908	9.0
76.90447	0.4
82.29585	0.4
84.31216	0.4
89.76383	0.4
91.05522	7.3
114.43499	0.4
116.92886	0.6
118.06554	0.6
147.04518	42.8
164.07167	79.0
165.07448	0.5
222.27461	0.5
249.88901	0.4
254.24887	15.5
266.24869	2.9
298.20413	0.4
298.23874	1.9
358.31403	0.5
391.59241	0.4
402.30154	100.0
403.30637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1036
Annotation	Conyzatin
Peak:m/z	Relative Intensity
57.03440	0.9
58.83483	0.9
59.01381	12.8
61.98810	4.7
71.01384	1.8
89.02455	1.3
92.65035	1.1
108.02159	1.0
120.80077	1.2
121.02967	1.5
128.10815	1.9
130.08717	17.5
130.92589	1.1
131.05003	2.2
131.09084	2.0
135.04472	2.1
136.01653	23.5
146.03673	7.7
147.04587	8.2
148.05304	100.0
151.04018	21.4
161.06059	1.1
162.01993	1.4
163.07591	1.5
176.04855	1.3
192.04248	1.3
207.06656	13.2
208.12262	1.1
218.02173	10.8
233.04507	11.0
297.11261	2.0
300.05234	1.1
359.11432	1.5
367.10529	1.5
402.24841	8.4
403.10355	56.5
403.19177	1.5
403.25067	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	403.125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82777	0.3
59.01381	3.1
61.98836	2.9
71.01389	0.6
80.58344	0.3
85.76392	0.4
89.02418	1.5
93.03416	0.4
94.54791	0.3
94.98098	0.4
96.96012	0.5
101.02399	0.4
124.98770	0.7
137.02379	0.5
145.08684	0.7
153.99077	24.2
167.67871	0.4
168.00662	1.7
169.01425	100.0
170.01785	1.4
183.03047	1.2
184.03777	45.7
199.06134	41.1
298.30533	0.3
307.13937	2.4
308.22623	0.4
403.12567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98822	6.1
71.01380	42.9
83.01408	2.9
85.02936	12.8
89.02442	44.8
92.64827	3.3
96.96002	3.7
101.02447	22.9
113.02406	7.1
119.03496	19.7
121.02953	4.6
133.02943	4.9
136.01633	18.6
148.05310	68.9
151.03989	6.8
170.31195	3.1
179.05650	5.6
179.10762	46.0
207.06615	6.1
223.09756	78.1
233.04443	4.6
403.10587	25.4
403.20032	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	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98836	62.8
64.61639	5.9
65.21323	4.9
70.28340	4.9
99.18471	6.1
152.99597	11.4
245.37617	5.4
346.22827	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	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98836	62.8
64.61639	5.9
65.21323	4.9
70.28340	4.9
99.18471	6.1
152.99597	11.4
245.37617	5.4
346.22827	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	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82332	0.9
57.03447	1.7
57.91944	0.8
59.01379	10.7
61.98835	19.9
62.86298	0.9
71.01356	1.4
75.94091	0.8
80.12510	1.1
81.28222	0.8
88.04012	1.5
89.02416	3.4
91.03980	4.4
99.08148	1.9
125.09703	2.3
127.11263	2.3
139.11285	9.3
148.54243	1.0
162.33797	0.8
165.13000	1.0
171.10265	16.8
183.13921	6.3
193.12239	2.2
195.60527	1.0
211.13414	41.1
229.14452	41.0
250.31517	1.0
293.21173	7.6
303.18170	10.3
311.22388	5.2
329.23383	15.7
384.85938	0.9
403.27017	100.0
404.27393	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00909	1.2
51.20396	1.1
51.71378	1.1
54.82640	1.4
57.18652	1.4
58.00591	1.6
58.55137	1.4
58.77359	1.1
59.01395	11.5
59.38804	1.2
61.98556	1.4
61.98837	36.8
65.61070	1.1
66.20883	1.3
72.99281	1.5
89.02413	1.9
99.08144	10.6
101.28376	1.2
113.09761	3.1
125.13563	1.6
129.09206	6.5
169.12318	9.1
181.12334	6.6
197.11803	2.9
199.13432	22.6
211.13400	17.1
271.59698	1.5
293.21320	7.0
311.22321	38.8
329.23367	100.0
345.22852	2.0
403.19092	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98598	1.1
59.01151	1.3
59.01385	22.9
61.98540	1.6
61.98836	28.9
68.85438	1.3
71.01382	3.0
89.02435	8.7
91.04012	10.2
99.08127	1.8
109.51176	1.3
125.09727	1.5
127.11277	5.3
129.09160	1.6
139.11269	7.3
152.50163	1.3
171.10284	19.4
181.12360	9.1
187.09503	1.4
193.12456	1.5
199.13426	7.2
201.11342	24.3
211.13487	11.4
235.79536	1.4
273.17184	10.0
293.21216	8.2
311.22284	5.7
329.23248	2.2
403.27039	100.0
404.27246	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98594	0.5
61.98833	9.0
63.00299	0.5
92.92789	0.7
127.00316	0.6
139.11282	3.5
140.18570	0.7
163.18446	0.7
171.10242	4.3
200.83664	0.6
208.13092	0.7
329.23334	1.3
343.24948	1.1
403.20490	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	403.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59447	17.9
54.16146	21.6
61.98807	50.5
75.77792	20.0
81.34548	23.0
92.12158	100.0
95.45677	25.8
111.13697	22.6
199.63493	23.9
249.16983	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82929	0.2
56.75560	0.3
56.80267	0.3
58.12904	0.2
59.01389	100.0
60.01714	0.3
61.98838	1.9
72.33998	0.3
88.20084	0.3
94.60306	0.3
100.08221	0.3
101.48018	0.3
103.02833	0.3
116.92873	0.4
130.08745	0.3
134.89540	0.3
190.39586	0.3
209.42398	0.3
224.04417	0.3
280.81946	0.4
287.06784	0.3
332.74631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03585	0.3
59.01378	0.7
61.98834	6.5
62.21860	0.2
64.34232	0.2
71.18776	0.2
74.46656	0.2
96.96019	2.1
114.63366	0.3
119.05012	1.5
120.04547	0.6
132.04552	0.3
134.06120	1.8
135.04541	0.4
144.04591	2.0
147.03256	3.6
148.04057	0.3
153.00674	0.4
160.04039	12.2
161.04890	0.3
162.05617	100.0
163.06007	0.4
167.87868	0.3
171.03653	0.3
176.03557	0.7
178.05048	0.4
188.03543	9.6
206.04607	61.8
207.04886	0.4
248.05534	0.6
260.74368	0.3
278.06815	1.2
282.28046	0.4
308.07813	1.4
368.09903	35.5
369.10477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
60.34381	0.3
61.98833	23.7
71.01380	0.6
77.93188	0.3
92.11738	0.5
96.96007	2.2
119.05011	0.8
120.04541	0.8
132.04547	0.5
134.06131	0.8
144.04584	4.1
147.03253	4.0
148.04068	1.6
160.04031	17.3
161.02405	0.4
162.05605	100.0
163.05962	0.5
174.05620	1.4
186.05562	0.8
188.03529	21.2
206.04594	72.2
226.52275	0.4
230.04536	2.2
248.05621	8.3
278.06699	5.0
308.07788	11.0
366.82422	0.4
368.09869	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	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30811	0.2
58.02953	0.2
59.01122	0.2
59.01387	1.8
61.98832	100.0
71.01389	1.2
72.99288	0.3
80.34985	0.3
85.02963	0.2
89.02444	1.3
92.12396	0.3
92.65636	0.3
101.02482	0.3
114.46513	0.2
128.03622	0.3
143.04633	0.3
146.04700	0.2
269.02731	0.3
306.07504	0.5
343.11719	1.3
344.12039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92096	0.2
57.71010	0.2
59.01388	2.4
60.01710	0.3
61.98833	100.0
71.01375	1.0
71.65556	0.3
78.95898	0.3
89.02451	1.2
94.34789	0.3
96.95999	11.3
101.02451	0.3
119.03517	0.5
128.03542	0.6
134.04744	0.3
136.33018	0.3
142.03604	0.3
143.04633	1.5
146.02530	0.7
162.05588	3.3
191.47820	0.3
206.04668	1.5
209.13312	0.3
266.64597	0.3
297.17496	0.3
306.07880	1.5
343.11316	0.5
344.11642	1.0
368.10034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93770	0.2
55.01880	0.2
59.01381	3.7
61.98834	3.4
71.01380	1.5
73.02914	0.2
78.95891	2.0
79.95724	1.4
85.02953	0.4
89.02440	1.4
89.90826	0.2
93.03441	0.4
96.95999	100.0
96.96877	3.9
99.08142	1.3
101.02430	0.9
113.02440	0.5
116.64394	0.3
119.03505	0.5
121.02975	0.4
134.03682	0.7
145.08701	4.1
153.99071	0.4
169.01431	1.4
170.01781	1.1
184.03801	0.5
185.04091	0.4
193.05046	0.5
199.06154	0.5
264.60004	0.2
297.61801	0.2
307.14011	8.9
329.20230	0.3
388.33612	0.3
405.16867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1192
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01375	2.3
61.98835	6.6
65.03957	2.9
67.01871	0.7
68.99799	0.6
71.01378	1.0
77.74848	0.4
82.95404	3.2
91.01884	46.7
107.05013	2.4
108.02166	3.6
109.02943	27.3
121.02941	1.9
133.03015	0.6
135.00879	100.0
136.01686	0.5
137.02441	4.7
149.02441	1.0
153.01939	54.8
166.89842	0.5
175.04010	3.1
177.01923	1.8
197.06046	1.0
243.06619	10.8
245.16513	0.5
297.06146	10.1
405.11862	9.9
405.16779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71846	0.7
53.93322	0.8
59.01381	8.3
59.28452	0.8
61.98829	11.0
62.33726	0.9
63.38062	0.8
71.01393	1.6
72.00896	6.7
73.04064	41.5
82.06628	1.6
85.53539	0.9
87.05622	10.2
91.05519	4.4
92.11739	2.0
96.95996	2.0
97.04047	4.4
99.05620	1.2
122.09755	1.2
123.23685	0.9
126.06709	1.2
127.05125	4.1
128.03549	1.2
129.10338	12.6
130.08737	1.5
144.07835	8.2
147.04507	24.6
155.08240	3.2
155.11913	4.4
157.13464	2.0
164.07170	53.4
165.10307	6.1
165.18710	1.1
166.08804	8.0
181.12309	1.9
182.12968	16.7
183.11430	1.8
199.13503	1.1
200.14053	36.1
207.10344	1.3
225.11382	4.1
233.16608	9.3
239.15135	15.3
243.12335	8.2
253.15562	1.4
257.16187	1.9
277.15665	1.8
296.22119	1.0
304.20270	10.2
361.22632	7.7
405.17203	3.8
405.21478	100.0
406.21582	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	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56662	59.3
59.01357	72.4
60.29137	67.8
61.98824	90.0
64.39852	69.4
64.61276	68.8
65.41206	71.1
67.99112	72.1
71.60526	67.9
73.41254	70.2
79.00751	74.9
82.10210	72.9
89.02416	90.5
94.68431	69.3
110.35275	82.7
129.79105	79.3
131.13254	69.8
139.69907	75.7
183.37241	100.0
210.07521	72.7
289.39594	91.9
384.31314	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69118	17.8
54.82121	17.0
59.01381	100.0
64.56534	18.6
74.81129	16.9
86.33526	16.5
88.72435	19.3
93.26386	19.9
98.77005	17.4
105.43796	20.9
110.65325	19.0
127.12009	19.1
134.76808	17.2
153.11377	20.4
157.41914	18.5
188.20490	19.9
305.77380	24.1
330.51343	20.3
377.30389	20.1
383.89648	21.6
390.93942	21.5
422.99222	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06506	40.9
56.34647	41.6
58.21062	41.5
59.01374	100.0
66.17014	41.1
80.79546	51.3
96.71206	47.6
115.31628	48.7
124.85520	48.2
176.77528	42.6
181.63641	43.0
232.90373	42.9
235.76530	48.2
260.72037	52.8
329.19800	64.8
404.03226	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62364	42.3
57.97472	49.2
61.98832	89.3
89.02412	57.4
92.11721	100.0
114.37646	59.1
119.74901	47.6
133.84218	49.5
172.09732	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10614	10.2
56.83910	10.6
59.01372	100.0
61.98826	52.6
62.85940	10.5
68.91933	11.3
102.05595	13.7
191.95686	12.6
222.14082	14.3
302.75092	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	405.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15186	0.6
56.63278	0.6
56.67111	0.6
59.01390	100.0
61.98544	0.7
61.98837	13.6
63.01568	0.5
71.22815	0.5
87.00874	0.9
97.44371	0.6
107.18611	0.7
118.71163	0.6
255.88635	0.7
305.25140	1.0
323.25928	4.4
345.24084	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	406.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96495	0.2
59.01376	0.5
61.98841	5.6
63.99266	0.3
67.01890	1.2
71.01343	0.4
72.00536	0.6
72.00912	12.3
78.95917	0.5
82.95398	0.5
88.04030	0.8
89.98322	0.3
91.05550	0.4
96.96010	6.6
97.51587	0.3
99.92586	0.4
111.00857	1.5
116.92850	0.4
121.02943	0.6
139.00330	1.3
143.03496	0.6
143.04533	0.4
144.04573	0.5
146.02519	0.7
146.08232	0.6
147.04521	47.1
148.04895	0.7
155.89429	0.3
160.04094	0.6
162.05615	6.3
164.07173	100.0
165.07460	1.5
187.06146	0.5
206.04633	3.7
218.10350	0.6
241.08438	1.8
248.10492	0.4
309.11243	0.4
315.26483	0.4
324.17444	0.4
362.07104	0.4
368.09756	2.5
406.06821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74400	0.1
59.01396	0.2
61.06364	0.1
61.98836	100.0
67.68603	0.1
69.18196	0.1
70.53586	0.1
80.26900	0.2
84.43209	0.1
89.02455	0.3
124.64589	0.2
182.60104	0.1
202.90392	0.1
217.66595	0.1
249.53914	0.2
307.11539	0.1
398.28967	0.1
400.56766	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	406.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29623	0.2
61.98836	100.0
64.50555	0.3
80.08615	0.3
80.36857	0.2
92.12330	0.6
92.92812	0.7
94.28622	0.3
94.92527	0.4
124.13292	0.3
170.84857	0.3
171.10345	0.4
203.08148	0.3
210.18610	0.3
293.21362	0.6
311.22284	4.1
312.22379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81682	0.4
59.01360	0.7
61.64986	0.4
61.98835	100.0
84.52924	0.4
121.08591	0.5
186.43706	0.4
199.33894	0.5
221.12030	0.5
260.68945	0.5
341.15744	0.5
398.01941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77465	0.1
59.01397	0.2
59.20095	0.1
61.98843	100.0
84.64517	0.1
87.19549	0.1
92.11739	0.4
97.02999	0.1
116.66006	0.1
122.04554	0.1
151.11310	0.3
191.65753	0.1
192.89671	0.1
342.69278	0.1
347.12097	0.8
407.13690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2598
Annotation	Blacknidine
Peak:m/z	Relative Intensity
58.02970	1.9
59.01384	7.0
61.98825	3.3
67.58371	0.7
73.60432	0.8
74.02457	3.2
75.63290	0.6
84.04529	7.2
91.67422	0.8
92.12345	0.9
100.07671	5.3
102.05601	100.0
128.03526	90.1
146.04582	12.0
149.04802	0.8
152.20035	0.8
152.99591	1.1
160.66486	0.8
161.63457	0.9
188.57771	0.8
262.15591	0.8
277.21732	44.4
296.49014	0.9
301.56628	1.0
325.18372	1.0
345.44846	0.9
362.27048	12.0
362.47440	0.9
388.25024	13.6
406.26022	92.2
407.26282	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	407.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
62.49009	0.2
65.03964	6.9
67.01891	3.0
91.01878	1.8
96.04619	0.2
105.06427	0.2
106.96675	0.2
109.02943	46.2
110.03285	0.3
125.71119	0.2
134.03740	0.9
135.00873	14.8
135.04495	0.3
139.38126	0.2
144.10193	0.2
149.06035	0.2
153.01932	100.0
154.02286	1.0
157.70528	0.2
164.59138	0.2
176.14632	0.2
220.47171	0.3
407.14218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26524	1.1
54.82389	1.1
59.01384	16.0
61.98820	6.7
69.03459	13.3
75.00877	2.7
78.95908	13.5
80.14985	1.4
80.96520	28.0
91.07531	1.6
96.96008	21.0
96.96947	18.0
97.02923	5.7
105.71409	1.3
113.02448	5.8
121.02934	2.1
132.98192	2.5
151.11298	5.7
152.05960	1.3
171.10309	1.7
174.99271	12.6
182.99736	12.6
185.01332	3.2
203.14503	2.6
205.16043	14.6
210.99263	8.2
231.13951	10.9
247.20605	3.2
249.14943	23.8
291.19757	13.7
303.09119	2.5
309.20828	14.9
319.12442	2.2
325.18451	23.3
345.10132	12.7
347.11798	2.7
365.12772	8.0
369.32156	1.6
406.02881	1.4
407.13885	100.0
408.14362	2.5
409.11667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82207	6.3
59.01381	58.0
61.98822	9.2
69.96651	6.7
70.98319	7.9
80.02465	8.7
89.02423	9.3
96.95995	100.0
98.91727	7.0
150.38597	8.3
162.83553	8.1
249.09976	8.2
268.73245	9.6
407.17538	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90621	0.3
50.95225	0.3
53.90222	0.3
54.23576	0.3
60.39413	0.2
68.65330	0.2
72.00906	10.2
74.02472	16.9
82.95377	0.4
83.67592	0.3
84.91537	0.3
98.63764	0.3
110.73904	0.3
116.05057	51.5
129.05806	0.4
130.06619	1.9
132.08180	0.4
142.06624	14.8
144.95013	0.3
157.07692	0.3
159.09277	10.6
186.05618	1.5
186.20398	0.3
203.08284	100.0
204.08591	1.3
215.16779	0.3
266.05466	0.3
269.33176	0.3
290.96893	0.3
356.67050	0.3
425.83423	0.3
433.85596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01368	2.1
61.98828	0.8
69.03449	0.6
70.25165	0.5
75.72795	0.5
79.05506	0.6
83.05006	0.9
94.92498	0.8
94.98099	4.2
97.02930	2.4
99.08154	2.3
111.08142	0.5
113.09716	3.1
115.79578	0.5
121.10220	2.9
125.09724	0.9
127.11270	0.8
127.95928	0.5
139.11282	5.9
163.85915	0.5
165.12823	1.1
171.10271	24.3
179.10660	0.5
183.13751	0.9
185.11864	1.2
193.12346	11.3
206.57080	0.5
211.13405	5.8
220.52710	0.6
234.91193	0.5
249.22252	1.2
293.21268	17.9
294.48608	0.6
311.22311	100.0
312.22693	3.3
318.63232	0.5
388.78406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87142	0.3
59.01376	1.5
60.00737	0.3
61.98829	0.8
78.95900	62.7
96.96945	7.9
110.98507	1.9
121.32922	0.5
150.98029	2.3
152.99580	100.0
171.00620	3.6
174.48747	0.4
184.31877	0.4
185.02206	0.4
239.20166	30.1
253.21765	1.6
304.77667	0.5
407.22043	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40974	6.2
61.98823	11.4
64.30759	6.1
64.84156	7.2
69.49982	6.4
69.71504	7.2
74.86414	6.4
78.95901	80.7
80.80276	7.3
92.65345	7.4
152.99559	100.0
183.01157	8.4
202.77971	7.9
291.35995	7.6
325.18301	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91484	11.1
51.00008	10.1
54.82666	14.3
59.01379	29.4
61.98836	17.8
78.95905	100.0
88.04038	75.6
89.02414	12.0
101.07198	60.7
118.67039	13.7
144.76993	15.6
322.30807	14.4
346.74518	13.5
352.87033	12.4
407.17520	30.1
407.29053	31.5
414.02859	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	11.8
62.33865	0.5
69.90659	0.6
70.02987	1.0
72.00895	0.6
72.04549	0.8
74.02473	2.0
78.95919	3.8
82.02973	0.6
83.06145	3.2
84.04550	4.9
92.65471	0.6
101.07186	9.6
109.04077	12.0
125.03551	2.8
125.07193	2.4
127.05129	45.0
128.03525	12.1
145.06194	41.2
199.48126	0.5
212.53943	0.5
261.22137	0.8
278.24890	3.4
345.29169	19.7
356.60571	0.6
389.28293	6.4
407.29184	100.0
408.29672	2.1
417.39688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40354	0.1
59.01394	2.1
78.95912	0.3
84.04569	0.3
89.02425	0.2
96.96018	1.9
96.96974	0.3
98.02473	0.2
99.92566	2.0
101.02406	0.2
103.98591	0.2
112.54016	0.2
114.05596	100.0
115.05964	0.4
115.92083	0.3
116.92840	1.1
120.49699	0.2
128.03542	0.3
143.04601	0.2
156.06664	61.3
156.99185	0.3
157.06068	0.4
157.07127	0.3
190.88231	0.2
254.07881	0.2
309.05811	0.3
345.07645	0.2
350.23315	0.2
408.15121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2526
Annotation	Laxiracemosin H
Peak:m/z	Relative Intensity
50.22221	10.7
57.89931	9.8
61.98836	94.7
78.95900	57.2
79.95721	23.2
84.55138	11.3
91.72283	10.7
92.11663	21.1
96.96009	94.6
107.87135	11.9
114.38473	12.9
119.04999	11.1
125.30629	11.9
161.17154	12.2
183.08644	12.6
227.06342	12.0
258.26691	12.4
313.73853	12.7
372.27988	12.9
408.25360	100.0
409.19205	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76797	3.6
57.62062	4.4
59.01379	9.2
61.98831	85.0
78.95898	100.0
78.98055	4.4
79.95709	8.4
85.27744	4.4
85.78355	3.8
90.05734	3.6
95.11662	4.1
96.95992	26.1
97.90421	4.7
110.00849	4.5
115.61315	4.3
142.21712	4.2
192.02998	4.7
269.59576	4.8
405.22339	4.2
408.17676	18.1
408.25186	9.7
409.19885	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.0
59.01383	1.8
61.98829	1.7
78.95890	3.5
84.04538	1.6
100.04034	1.7
109.60276	0.8
148.03220	1.9
148.04378	44.6
152.99591	4.2
182.69734	0.8
189.59824	0.9
259.20718	1.6
302.24945	16.0
316.26495	5.6
360.25497	13.6
408.25793	100.0
409.26276	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	408.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32272	0.6
52.24106	0.6
56.11268	0.7
59.01377	3.8
61.98828	1.0
71.01360	2.5
78.95895	2.8
79.87739	0.6
80.91675	2.6
88.04043	100.0
89.02454	1.4
116.92836	0.8
119.03404	0.7
140.93614	0.7
146.80389	0.8
152.99564	1.5
163.50575	0.7
171.31334	0.7
188.26660	0.7
227.19981	0.7
228.20537	1.0
326.23181	1.4
326.27045	41.8
327.27097	1.3
343.52393	0.7
408.27383	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	408.2761
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
58.02976	3.0
59.01384	4.3
64.34307	0.5
74.02480	1.0
78.95911	4.6
82.02998	1.0
82.76017	0.4
84.04546	6.8
85.02954	0.8
86.00975	0.4
92.12458	0.8
92.82621	0.4
100.04085	0.7
100.07676	7.7
102.05604	100.0
108.84502	0.5
112.07670	0.5
115.00129	0.4
128.03531	92.6
146.04604	12.3
152.99591	5.6
250.17030	0.5
261.22333	0.8
278.24884	0.6
279.23312	56.6
304.26517	0.5
318.28061	2.4
320.29480	1.1
346.27618	0.8
346.57767	0.5
364.28635	14.0
390.26566	12.4
405.30780	0.5
408.27609	97.3
409.28192	2.1
430.27109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82456	0.5
63.25726	0.5
73.18668	0.6
77.03639	0.4
107.05005	0.5
117.03448	0.9
119.05012	100.0
132.05786	0.7
133.02937	2.2
134.03728	67.1
135.04517	28.9
145.02963	4.0
148.05312	2.7
149.06070	27.6
160.01678	1.0
161.02437	2.4
161.06105	0.7
162.05724	0.6
175.04028	0.8
176.03555	1.0
190.05136	2.2
204.06660	4.0
216.10335	5.2
231.09045	0.8
231.11391	0.6
233.12923	2.2
236.68542	0.6
241.05304	0.5
247.10880	8.1
248.11670	1.2
259.10867	28.0
263.13977	0.6
273.08862	3.2
274.09586	12.8
275.10654	0.7
289.08627	0.9
289.11935	28.0
298.28458	0.6
360.19403	0.5
393.14783	0.8
409.17725	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72614	0.2
79.29971	0.2
82.32625	0.2
82.95384	0.3
84.95100	1.0
87.68041	0.3
93.03464	0.4
117.03454	1.1
119.05019	100.0
120.05328	0.4
121.02959	0.4
132.05783	0.5
133.02943	1.5
134.03735	53.8
135.04524	23.7
144.04541	0.4
145.02962	3.9
148.05247	2.2
149.06084	25.7
160.01657	1.0
161.02469	1.2
161.06100	1.5
162.03250	0.5
162.05647	0.6
175.02684	0.4
175.04008	1.4
176.03545	1.4
186.09193	0.4
190.05174	2.4
204.06679	2.9
216.10284	4.5
230.08223	1.0
231.09009	1.1
231.11356	0.5
232.09697	0.3
233.12915	1.7
247.10875	6.7
248.11722	2.9
259.10889	26.3
263.14008	0.5
273.08862	4.1
274.09601	13.5
275.10345	1.1
289.11972	25.0
349.20248	1.1
393.14490	0.6
409.17746	21.3
410.17517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82354	0.5
57.03473	0.5
59.01387	1.9
60.98674	0.3
61.80169	0.4
61.98841	4.3
71.04968	0.4
73.02946	0.7
76.12205	0.4
78.51803	0.3
78.95416	0.5
78.95900	31.6
79.95734	50.8
80.96513	4.7
81.31777	0.4
94.47721	0.5
95.95230	5.4
96.96003	100.0
96.96886	4.6
99.08150	1.8
102.79049	0.4
119.05010	0.7
125.09720	0.7
127.11291	1.9
139.11311	2.0
152.99614	0.5
157.12320	0.7
171.10266	7.9
172.54860	0.4
183.13884	0.8
193.12387	0.6
211.13388	10.1
229.14479	16.2
234.27440	0.4
237.08078	2.6
293.21280	0.7
309.10205	0.9
311.22360	0.7
327.21970	0.9
329.23383	19.3
391.18863	0.5
409.19101	94.6
410.19333	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	409.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12408	0.1
54.63970	0.2
55.04014	0.1
58.48236	0.1
59.01388	0.2
61.98829	0.7
64.34763	0.2
67.59418	0.2
68.10781	0.2
78.95902	100.0
79.95728	0.2
92.11744	0.2
96.96951	4.3
109.79332	0.2
119.05009	0.7
134.03725	0.4
135.04527	0.2
137.69150	0.2
259.10706	0.2
350.08905	0.2
409.20029	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	409.2051
Annotation	risperidone
Peak:m/z	Relative Intensity
53.43787	0.4
54.82729	0.4
58.18961	0.4
64.56192	0.5
78.95898	0.8
80.91699	0.8
89.23442	0.5
92.11792	0.8
92.12290	1.1
99.92572	62.1
100.92570	0.7
100.93346	3.0
115.92061	30.0
116.92845	100.0
133.36530	0.6
200.39516	0.5
279.26929	1.1
281.28500	8.7
309.27832	0.9
327.29080	15.2
379.19537	0.8
397.20544	0.6
409.20544	62.2
409.29468	2.1
410.21017	0.8
423.18387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.4
59.01384	7.4
61.98820	13.6
69.03448	3.6
75.94318	2.7
78.95896	29.1
85.02945	19.9
96.95999	24.0
97.02932	31.0
98.76162	2.6
108.67080	2.9
114.28979	2.9
119.05022	5.5
120.59845	2.7
125.09730	2.9
137.09727	7.1
138.55373	3.4
152.99547	4.0
153.12813	2.9
159.38388	2.6
159.39908	3.0
165.12845	28.6
171.10262	26.6
173.78209	2.8
193.08455	34.2
207.10086	6.1
211.13385	20.0
219.10065	6.4
221.11725	5.5
229.14438	11.0
231.10060	7.1
233.11591	75.5
249.11011	13.0
250.29767	3.5
251.11404	16.6
261.11053	18.0
278.24579	3.4
327.21832	55.6
331.18869	13.2
349.19977	100.0
409.18558	15.9
424.19565	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	409.2364
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
53.36491	0.2
68.83482	0.2
74.10638	0.3
78.95898	76.1
92.79944	0.3
96.96952	6.5
119.27451	0.2
134.35207	0.3
134.89867	0.3
150.98035	2.0
152.99586	100.0
171.00624	2.2
193.27733	0.3
194.31410	0.3
221.04668	0.3
240.41881	0.2
255.23293	2.8
289.32684	0.3
353.72345	0.3
409.23618	19.7
415.47061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62315	0.5
55.01912	0.7
59.01379	0.9
80.91661	1.1
99.13398	0.7
99.92581	4.7
113.31950	0.7
136.12830	0.7
189.44081	0.8
206.36330	0.7
249.52995	0.8
253.25308	1.5
277.25345	0.9
279.26959	5.7
281.28494	64.4
309.27878	1.0
319.01538	0.7
327.29086	100.0
328.29324	1.1
409.29437	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	409.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82723	1.0
56.42805	0.8
58.02988	10.0
59.01379	2.2
61.98837	1.1
64.53793	0.9
74.02465	1.7
78.95901	44.9
82.02966	1.4
83.06145	2.0
84.04531	4.4
96.96917	2.6
101.07204	9.1
109.04050	12.7
116.92845	6.0
125.03525	1.5
127.05125	39.8
128.03522	10.5
137.60260	1.0
145.06186	43.5
152.99582	55.8
171.00677	1.2
207.49196	1.0
236.31213	1.1
255.23347	1.5
280.26447	10.9
294.37674	1.1
347.30679	28.5
349.17783	1.5
365.31796	1.7
391.29703	5.5
409.18976	2.2
409.24115	7.2
409.30737	100.0
410.31256	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	410.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66350	0.5
54.01404	0.4
59.01386	0.6
61.98832	100.0
64.34887	0.6
76.75109	0.5
78.95895	0.6
96.95977	1.2
96.96936	0.7
112.03886	0.5
116.07164	0.8
157.93243	0.5
173.69705	0.5
192.79681	0.5
198.42659	0.5
242.39397	0.5
249.59744	0.6
322.81039	0.6
365.03976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33500	0.4
59.01350	0.5
70.12547	0.4
73.29037	0.4
80.38020	0.5
83.05040	0.6
84.04543	0.7
86.45194	0.4
98.06044	0.9
100.04044	2.6
116.92852	3.6
148.04385	45.1
152.99495	0.6
261.22284	2.8
290.51651	0.5
304.26425	20.3
318.28043	9.3
319.28156	0.6
332.25888	1.8
362.27017	12.8
363.27444	0.7
410.27383	100.0
411.27869	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	410.2915
Annotation	(9Z,12Z)-3-hydroxyhexadecadienoylcarnitine
Peak:m/z	Relative Intensity
52.25302	0.7
58.02964	1.0
59.01387	5.4
74.02491	0.9
76.78893	0.8
78.95906	1.3
82.02968	1.1
84.04554	3.8
87.29121	0.8
100.04031	1.2
100.07678	4.4
102.05611	86.6
111.03262	0.8
128.03537	74.8
146.04605	11.1
152.99591	1.3
279.23343	1.5
280.26526	1.1
281.24863	57.1
282.25351	1.7
301.28088	0.9
320.29626	1.4
322.31161	3.6
348.29330	2.3
365.93494	1.1
366.30249	11.7
392.28030	11.5
410.29175	100.0
411.29523	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	411.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96783	0.3
59.01381	0.8
64.81591	0.5
65.35912	0.4
71.01413	0.4
78.95905	11.2
79.95725	1.8
81.65203	0.4
96.96004	100.0
96.96922	18.3
101.02432	0.4
101.74135	0.4
196.04965	0.4
196.36539	0.5
240.98567	0.4
275.29260	0.5
375.14618	0.4
411.15305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58231	0.3
57.73005	0.2
60.99302	1.2
61.98827	1.4
65.65659	0.3
82.56980	0.3
82.95401	0.4
115.92113	0.3
116.92813	0.4
158.77866	0.3
229.55330	0.3
263.11316	0.3
269.19119	1.9
271.20636	4.1
274.45230	0.3
289.21719	6.7
315.19687	100.0
316.19958	2.7
317.20456	0.4
413.78085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
53.57587	2.4
54.82880	3.0
57.03450	3.8
58.00614	2.5
59.01106	4.1
59.01385	100.0
59.32870	2.3
60.62337	2.6
60.81336	2.3
61.98829	10.9
65.39413	2.9
69.66281	2.2
71.01385	36.8
71.95069	2.4
73.02928	3.1
78.95908	11.4
83.01396	3.6
85.02951	12.7
86.09861	2.7
89.02439	36.4
98.95613	2.7
101.02463	19.4
102.62494	2.6
113.02440	17.0
119.03479	11.3
134.03693	4.9
148.10939	2.9
151.70374	3.3
203.05864	17.9
218.08244	11.3
231.13931	5.8
411.20322	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88229	0.2
54.82268	0.1
59.01374	0.6
61.74126	0.1
61.98833	0.4
62.85382	0.1
69.48580	0.1
71.05518	0.1
79.95731	1.8
87.64725	0.2
92.11755	0.2
93.54525	0.2
96.95998	100.0
146.06006	0.2
162.05579	0.7
243.08908	0.9
286.26669	0.2
411.20593	39.6
412.20905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.5
60.11755	0.3
61.98830	0.7
63.29943	0.2
63.87009	0.3
76.61166	0.2
79.95734	1.6
86.39626	0.3
92.12456	0.5
96.96001	100.0
109.43130	0.3
133.02921	0.6
134.03780	0.3
160.01720	0.4
161.02440	1.2
195.40028	0.2
197.85747	0.3
204.67754	0.3
205.99352	0.4
411.20596	37.5
411.63434	0.3
412.20703	0.3
417.50177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18623	0.3
59.01395	1.3
59.32132	0.3
61.98837	0.5
72.39852	0.3
79.95724	2.1
95.08130	0.4
95.12025	0.3
96.95995	100.0
115.73318	0.4
133.02968	2.1
161.02460	2.3
162.05612	0.8
162.75159	0.4
263.18521	0.3
274.10690	0.3
304.00662	0.4
320.30209	0.4
369.69400	0.4
411.20578	40.1
412.20966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29415	0.6
56.00680	0.7
57.03438	4.2
59.01384	5.3
61.08768	0.7
61.98820	3.4
71.05018	1.7
75.00870	1.1
80.91682	13.8
82.95418	1.6
84.02171	1.3
92.12376	1.4
97.06596	1.1
99.08149	12.8
125.09708	9.4
127.11284	10.8
137.09715	0.9
139.11288	50.0
155.10791	1.3
157.12369	9.9
158.51108	0.9
163.11284	1.0
165.08980	9.1
165.12840	9.8
167.10590	1.0
171.10278	56.1
191.06966	3.4
193.08472	100.0
194.08817	1.2
205.12134	1.6
209.07971	4.4
211.13406	9.8
221.11621	6.0
229.14470	6.8
231.10010	4.9
233.11630	37.7
249.11212	7.8
251.12563	11.1
252.85483	0.8
293.21112	1.5
329.23386	58.2
330.23679	1.8
333.19690	3.5
351.21570	60.5
352.21774	4.2
395.20654	4.1
411.23306	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
58.00600	3.7
59.01390	7.2
61.47903	0.6
64.45940	0.6
69.03452	0.8
71.01382	1.3
76.57105	0.6
80.91680	5.3
82.95408	1.2
84.02183	0.9
109.09410	0.8
111.00639	1.0
125.09702	6.6
127.11273	7.6
137.09709	1.2
139.11284	28.9
141.09229	6.3
143.06378	0.7
143.10802	0.9
147.75066	0.7
155.10773	15.3
165.08963	5.5
167.10487	1.0
171.10265	31.2
181.08533	5.1
181.12317	1.1
183.10033	6.3
191.06854	1.4
193.08466	100.0
194.08815	1.0
195.10051	3.5
197.07993	0.9
197.10277	0.6
201.11349	16.0
207.10051	11.6
209.08009	3.1
221.08087	1.1
221.11697	0.8
223.09578	34.4
223.15450	0.8
225.09775	6.8
227.09010	3.1
241.09335	3.2
249.10953	0.9
275.20264	1.3
311.22220	1.4
315.19467	2.7
329.23386	39.3
330.23679	1.3
333.20453	4.4
351.21561	89.7
352.21860	4.3
395.20572	0.9
402.26941	0.7
411.22583	1.0
423.96661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33611	0.4
57.03455	0.6
58.00598	0.9
59.01389	6.5
66.45212	0.5
71.01350	0.6
80.91671	2.9
82.63301	0.4
97.06567	0.5
99.08171	3.1
104.70580	0.5
113.09747	2.3
125.09723	3.6
127.07611	0.8
127.11272	1.2
128.83330	0.5
129.09207	3.6
130.39088	0.6
133.10100	0.6
137.03188	0.4
137.09723	0.5
139.11281	8.7
141.09221	4.3
141.93930	0.5
150.17442	0.4
151.11305	2.0
153.12848	5.4
155.10808	3.5
163.11261	0.6
165.08995	2.3
165.12859	5.5
167.10687	0.8
169.12282	5.7
171.10277	7.7
173.09500	0.9
181.08498	3.7
181.12378	3.2
183.10065	3.2
191.10628	1.1
193.08466	36.6
193.12137	4.5
195.10030	1.1
197.11824	0.5
199.13419	4.4
201.11307	4.9
203.10626	2.3
203.46375	0.5
205.08514	0.8
205.12137	0.7
207.10092	2.1
209.07962	0.9
211.13507	3.5
219.10031	9.4
221.11609	22.3
223.09592	14.3
225.07724	0.6
225.09923	2.4
227.09062	0.9
233.11600	21.5
234.12009	0.6
235.09529	3.1
237.09535	0.7
237.11298	0.7
241.09384	2.3
249.11145	9.0
251.12904	1.8
265.10641	3.7
275.20297	0.7
280.12610	0.5
293.21304	0.8
315.19464	6.2
329.23380	24.4
333.19418	4.5
351.21567	100.0
352.21881	2.8
369.21402	0.5
392.16693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90590	0.1
59.01388	100.0
60.60507	0.1
61.98836	0.1
66.35371	0.1
67.83588	0.1
68.61172	0.1
68.99567	0.1
73.70333	0.1
88.74331	0.1
114.93482	0.2
144.76865	0.1
174.12617	0.1
178.32986	0.1
195.27528	0.1
201.64381	0.1
264.00082	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	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46244	0.3
56.29482	0.3
59.01388	100.0
63.74931	0.3
71.08590	0.4
84.77084	0.3
225.45845	0.4
297.31113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
66.25653	0.9
78.01968	1.0
84.00919	100.0
91.27151	1.0
111.02003	1.3
149.34886	1.1
159.21399	1.1
177.21329	1.1
177.24117	1.5
179.57188	1.0
235.19507	1.2
251.23927	2.1
253.25397	42.6
299.25958	66.0
300.26141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15291	0.2
59.01376	1.0
59.59919	0.2
60.31349	0.2
71.01410	0.2
72.99306	1.0
75.00876	10.6
75.01295	0.5
87.00874	1.3
96.96013	1.2
99.00897	0.5
102.14299	0.3
115.69054	0.2
116.92852	0.6
117.92884	0.3
128.05034	2.0
130.06641	1.7
144.04558	1.5
146.06129	100.0
147.06488	0.5
172.04056	49.7
174.05583	1.8
190.05098	2.5
190.26797	0.3
201.79115	0.2
321.36697	0.3
334.09399	3.1
360.42679	0.3
420.63342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
61.98817	1.5
62.34221	0.2
71.01350	0.3
72.99289	1.3
74.71317	0.2
75.00866	20.3
85.02948	0.3
87.00872	0.9
88.47801	0.2
93.03440	0.6
99.00858	0.3
128.05025	1.6
129.01947	1.1
130.06615	1.2
131.03746	0.5
132.04523	1.1
134.03738	0.3
137.02435	0.5
144.04565	3.8
146.06114	100.0
147.06458	0.5
160.04105	0.4
162.05586	1.3
170.06065	0.5
172.04036	46.3
174.05577	1.1
179.69496	0.2
188.73178	0.3
190.05092	11.4
197.06104	0.5
198.06355	0.4
214.05081	0.4
232.06165	1.3
262.07095	0.3
273.52240	0.2
292.08182	1.0
296.15686	0.3
334.09210	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	412.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97411	0.2
61.46253	0.2
68.51432	0.2
75.13046	0.3
75.47417	0.2
78.44918	0.3
89.03953	0.4
91.81403	0.2
103.27701	0.2
105.03448	0.5
106.04295	0.3
110.23134	0.2
117.03478	2.2
118.03017	0.3
119.05039	0.3
132.02174	1.9
133.02945	4.5
134.03738	37.4
135.04541	3.5
135.21593	0.2
137.02440	1.3
139.04129	0.3
144.04630	0.4
145.01810	0.3
145.02939	4.1
146.02647	0.3
146.03740	2.0
147.04558	1.0
148.05295	1.4
149.06085	5.1
159.03259	0.6
159.04477	0.2
160.01662	4.4
160.04099	0.4
160.05341	1.3
161.02518	1.9
173.04808	1.1
174.01956	1.7
174.05597	1.3
175.02679	0.4
175.04008	2.7
175.06342	1.7
178.02734	4.3
179.03453	1.8
193.05069	20.4
194.05331	0.3
202.05124	4.0
203.05904	100.0
204.06540	7.0
218.08243	42.9
218.10475	0.4
219.08574	1.6
220.06149	0.5
221.06940	1.1
236.09343	1.2
262.07205	0.9
305.47922	0.3
321.66998	0.2
378.15897	0.2
397.12051	0.3
412.14041	16.1
413.14307	1.1
426.84970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86938	0.4
55.61367	0.5
59.01392	8.2
68.15682	0.6
92.12411	0.7
100.04057	3.1
101.07600	0.7
107.56101	0.5
116.07172	20.8
116.92886	1.3
133.48320	0.6
148.04390	41.5
156.29018	0.7
263.23895	1.4
279.23471	0.8
280.23685	0.8
306.28061	25.7
306.31409	1.1
310.31064	1.2
320.29584	11.7
334.27603	1.1
354.30133	6.9
364.28583	11.8
368.29956	0.7
412.29083	100.0
413.29709	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	412.3071
Annotation	CHEBI:85105
Peak:m/z	Relative Intensity
51.93913	1.2
57.24482	1.4
59.01146	1.7
59.01389	26.0
60.36024	1.4
61.98819	3.0
64.34280	1.6
67.29047	1.5
70.24207	1.3
84.04527	2.4
88.04012	1.5
102.05598	82.3
116.92776	1.6
128.03525	69.3
134.89449	1.7
146.04570	8.0
181.20099	1.6
265.25381	1.8
282.28107	3.3
283.26389	55.2
283.29477	2.3
322.31241	2.4
324.32654	14.4
350.30753	1.8
368.31659	13.7
375.64188	2.0
394.29587	8.5
412.30679	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	412.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98851	0.2
55.78016	0.2
56.20377	0.3
57.12424	0.3
59.01388	100.0
60.01739	0.3
61.98832	1.5
77.92538	0.3
89.30673	0.3
92.92828	0.3
102.05656	0.3
114.09263	0.6
116.07170	33.1
117.07523	0.5
128.51311	0.3
137.06277	0.3
147.95793	0.3
305.08011	0.4
316.44690	0.3
376.28629	19.0
377.29089	2.0
412.29703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30193	0.3
59.01384	2.5
61.98826	0.8
67.83891	0.3
81.37698	0.3
82.95415	1.6
89.03929	2.3
89.89241	0.3
106.04185	0.4
114.79114	0.3
117.03464	10.3
119.05032	0.4
124.10434	0.3
125.48862	0.3
134.03737	100.0
135.04128	1.5
135.80478	0.3
149.06064	7.0
149.14510	0.3
167.22714	0.3
193.05067	58.4
194.05443	0.6
207.06639	1.3
350.33823	0.4
352.21509	0.4
413.12357	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	413.1247
Annotation	Dulxanthone G
Peak:m/z	Relative Intensity
50.47743	0.3
51.29111	0.3
55.80537	0.3
57.78213	0.3
65.98415	0.3
69.03460	2.2
83.01375	0.4
89.03986	1.5
91.57855	0.4
93.03455	0.8
105.03463	1.9
117.03462	27.5
119.05022	75.4
120.05343	0.4
121.02940	3.7
123.04518	0.6
132.02161	6.1
132.05786	0.5
132.92801	0.4
133.02962	12.4
134.03738	100.0
135.04602	3.6
137.02444	2.2
139.04007	0.4
143.04979	0.6
145.02962	37.4
145.06569	0.6
147.04504	1.8
148.05299	1.7
149.06084	11.2
159.04518	0.4
160.01665	25.4
160.05212	0.6
161.02457	5.8
161.06140	0.8
162.03198	0.7
163.04012	48.7
164.04373	0.6
171.72594	0.4
175.04001	14.0
177.02029	1.4
177.05585	7.1
178.02718	1.8
179.03499	0.5
193.05064	44.2
194.05437	0.7
219.06712	3.5
234.05418	3.0
235.06171	4.2
237.07726	2.7
249.07750	2.9
252.06396	2.1
266.51193	0.4
267.08685	2.4
329.23331	0.5
398.10062	2.0
413.12454	91.1
414.12744	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	413.1246
Annotation	Dulxanthone G
Peak:m/z	Relative Intensity
50.52809	0.5
57.03456	0.5
57.70423	0.5
59.01381	3.6
61.98815	2.1
69.03458	0.9
76.19379	0.5
82.95411	4.9
89.03960	1.3
93.03474	0.8
94.05762	0.6
102.15172	0.5
105.03443	0.8
105.39925	0.6
106.04173	0.5
113.02435	0.7
117.03451	27.1
118.16640	0.6
119.05018	73.7
120.05389	1.3
121.02951	2.6
127.50127	0.5
132.02173	6.6
133.02946	12.1
134.03737	100.0
135.04422	3.7
137.02403	2.3
139.84485	0.5
145.02951	36.3
146.03314	0.7
147.04498	0.9
148.05305	1.2
149.06073	11.1
153.31407	0.6
160.01654	21.8
161.02477	4.8
161.06000	0.7
163.04008	47.8
164.04387	2.2
175.03979	12.7
177.02020	1.2
177.05551	7.0
178.02780	1.0
193.05067	42.8
219.06619	4.2
220.30057	0.6
234.05312	1.1
235.06078	3.8
237.07626	1.3
249.07643	3.6
252.06516	1.0
267.08670	1.3
306.58578	0.6
329.23196	1.2
398.10089	3.5
407.49597	0.6
413.12460	68.9
414.12875	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	413.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
59.01388	4.1
71.01385	3.8
73.02937	1.5
75.00887	0.2
83.01383	0.5
85.02948	2.2
87.00851	0.2
89.02425	0.5
96.95999	1.2
98.95563	1.0
99.00818	0.2
101.02430	2.9
103.42709	0.2
105.03453	0.3
113.02436	1.3
117.03441	0.9
123.04510	0.4
132.02145	1.5
133.02948	36.2
134.03699	1.1
135.04530	6.2
137.02455	0.4
161.02443	100.0
162.02794	1.3
172.39288	0.3
179.03474	3.2
181.77808	0.2
236.30180	0.2
241.09889	0.2
262.35806	0.2
324.15164	0.2
341.88977	0.3
412.20963	0.3
413.14560	59.8
414.14966	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22722	0.3
53.81063	0.4
55.01878	0.5
58.49342	0.3
59.01160	0.3
59.01387	6.1
61.98827	1.0
62.16617	0.4
64.34765	0.4
66.89774	0.4
68.23405	0.4
71.01371	4.2
73.02939	1.9
77.76278	0.5
83.01384	0.6
83.72406	0.5
85.02937	2.4
89.02453	0.6
95.01389	0.5
99.00880	0.5
101.02422	3.8
113.02441	0.9
117.03436	1.9
118.15368	0.5
119.05026	0.9
120.06877	0.4
132.02148	0.8
133.02940	35.2
134.03682	0.7
135.04520	6.4
136.98302	0.4
137.02420	0.9
145.02971	5.6
161.02437	100.0
162.02792	0.8
163.04025	1.8
179.03468	2.7
296.36945	0.5
353.14542	0.6
413.14557	59.3
414.15210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82226	0.2
55.01877	0.4
56.13100	0.2
57.03442	0.3
59.01117	0.3
59.01386	4.9
61.98816	1.3
71.01050	0.3
71.01379	3.2
72.02386	0.2
72.36734	0.3
73.02943	0.7
74.38351	0.3
74.99072	1.1
83.01377	0.6
83.74123	0.3
85.02946	1.9
87.00846	0.4
89.02462	0.3
91.57265	0.3
96.95991	2.9
98.95568	1.9
98.96351	0.3
101.02454	2.4
113.02444	0.5
117.03445	0.6
117.48738	0.3
119.04976	0.3
132.02132	1.7
133.02946	37.2
134.03712	1.4
135.04514	7.8
136.99144	0.4
137.02393	0.4
159.02945	0.3
160.01643	2.2
161.02438	100.0
162.02745	2.0
163.37250	0.3
175.03999	1.3
178.02722	0.5
179.03477	2.2
223.20609	0.3
224.72185	0.3
390.88602	0.3
392.19525	0.3
411.71210	0.3
413.14578	56.8
414.15149	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	413.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	12.9
57.03202	1.5
57.03454	35.5
58.00582	2.2
59.01383	84.8
71.01380	96.6
71.05009	3.1
72.99290	2.5
73.02940	35.6
78.22514	1.3
83.01382	17.8
85.02946	48.6
87.00860	7.9
87.04501	1.5
88.98838	1.5
89.02433	24.7
95.01356	6.8
97.01909	1.5
97.02945	3.3
99.00883	10.8
99.04510	40.9
101.02436	99.0
113.02438	37.2
115.03954	2.5
117.01920	2.9
117.05585	6.6
119.03477	8.2
125.02457	5.8
131.03508	2.8
143.03481	11.7
150.04201	2.3
159.02992	3.8
161.04553	100.0
161.08200	10.5
167.67216	1.8
179.05591	3.2
193.04401	1.7
251.11374	67.6
263.07571	2.5
311.11392	1.9
349.36459	1.6
413.16733	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98836	4.6
66.95924	1.2
69.50167	0.2
76.66979	0.2
80.91713	0.2
82.95415	100.0
83.02515	0.3
85.02975	0.2
119.05008	0.2
129.49472	0.2
134.03751	0.4
168.50471	0.2
211.13399	0.2
225.75462	0.2
231.48441	0.2
233.11665	0.2
234.12041	0.3
235.12344	0.2
308.07761	0.2
315.86331	0.2
329.23495	0.9
330.23938	0.2
331.24100	0.3
333.82611	0.2
335.24298	0.2
352.22333	0.2
353.14651	0.2
413.12494	0.3
413.22141	0.4
414.21466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15829	0.3
55.17823	0.3
56.93447	0.3
59.01376	3.2
60.99312	0.4
61.98842	0.4
67.01212	0.3
75.35200	0.4
82.85518	0.3
82.95414	0.5
98.41463	0.3
134.03766	0.6
151.99971	0.4
166.75267	0.3
239.24461	0.4
273.22223	7.5
291.23276	6.2
317.21231	100.0
318.21576	2.9
335.14972	0.4
359.75317	0.4
371.66232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69434	0.1
54.89743	0.1
59.01388	12.2
60.01725	0.6
61.98836	100.0
63.83612	0.1
85.13748	0.1
88.04044	0.6
92.92794	1.4
101.02435	0.3
110.09924	0.2
116.07200	0.7
120.30634	0.1
146.81487	0.1
161.73976	0.2
247.10295	0.1
251.20175	1.1
297.24472	0.2
350.26639	0.2
377.29016	0.2
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
55.11683	0.3
59.01384	100.0
59.06168	0.3
78.47517	0.3
92.11774	0.4
92.31545	0.4
92.65477	0.3
116.32860	0.3
142.73946	0.4
178.54192	0.3
262.96747	0.4
274.66257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
78.45729	0.3
79.41667	0.3
116.43053	0.4
129.23604	0.5
140.84303	0.4
255.87886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89375	0.5
55.39839	0.5
59.01386	1.4
60.54850	0.5
61.98836	100.0
62.36424	0.4
66.75780	0.6
70.87865	0.5
81.26987	0.5
82.95422	44.3
84.00909	3.3
84.95116	4.3
128.12875	0.6
156.95474	0.7
171.10295	2.8
206.19804	0.7
208.48149	0.7
329.23270	4.9
331.24243	0.7
349.53531	0.8
353.87961	0.6
397.64819	0.6
405.44733	0.6
414.21045	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	414.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73212	0.4
53.82814	0.5
59.01388	3.1
61.98838	100.0
66.95905	0.4
82.95419	40.2
84.00911	2.2
84.95117	4.7
99.08192	0.6
143.20366	0.5
147.00728	0.5
199.13400	2.7
201.91792	0.6
211.13332	0.6
329.23401	13.0
331.23996	0.5
414.21164	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	414.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69428	1.8
59.01379	13.3
61.98833	28.7
71.01381	2.7
82.95465	2.1
88.20882	1.7
100.99142	1.8
106.02479	1.6
107.65241	1.6
125.09711	10.4
130.08739	3.4
138.93620	1.7
150.89485	1.6
152.69246	1.6
171.10300	2.7
199.13403	1.7
204.13959	3.3
212.12886	1.7
222.15009	10.7
226.14687	3.6
238.14627	2.1
240.16064	100.0
278.94208	2.2
294.24509	6.3
318.24402	3.1
336.25449	60.4
337.25827	2.2
370.24115	2.9
377.03510	2.0
414.23300	70.5
414.28461	4.2
415.23590	2.5
428.91666	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1039
Annotation	Melibentin
Peak:m/z	Relative Intensity
54.81650	0.2
56.08540	0.3
59.01382	1.3
61.54398	0.2
69.83974	0.2
71.01368	0.2
75.03611	0.3
89.03939	0.3
91.05527	0.4
106.04284	0.4
107.05035	2.0
117.03477	1.5
132.02196	0.5
133.02956	23.3
134.03755	9.5
135.04524	100.0
136.04836	0.3
137.02441	2.1
161.02449	82.4
161.06085	1.6
162.02798	0.5
178.02678	0.3
179.03505	30.5
200.69072	0.3
235.06230	1.0
253.07195	42.0
254.07588	0.4
257.37152	0.3
323.43640	0.4
378.87167	0.3
412.30893	0.3
415.10376	43.8
416.10873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28366	0.5
54.82619	0.6
55.26789	0.5
59.01374	4.1
59.55687	0.5
61.98836	40.2
64.69261	0.5
74.47136	0.5
88.55849	0.5
107.05018	2.5
117.03485	0.7
121.02980	1.0
133.02948	23.6
134.03737	10.7
135.04520	100.0
137.02422	2.1
147.85460	0.5
151.91377	0.6
161.02448	97.3
162.02740	0.7
179.03496	30.9
205.17566	0.6
219.44344	0.6
228.84875	0.6
235.06177	0.9
253.07198	49.8
303.45673	0.7
306.66736	0.7
415.10410	40.2
416.11035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19675	0.5
55.01865	0.7
55.10955	0.6
57.03434	1.1
59.01388	21.6
61.98836	77.8
64.34439	0.7
71.01369	9.9
72.99266	0.6
73.02924	1.4
83.01324	2.7
83.05015	0.6
85.02951	6.4
89.02452	6.6
89.99278	0.6
91.03976	1.2
92.12388	0.9
95.01323	0.8
95.46066	0.7
95.97827	0.7
96.00877	0.8
99.00843	0.7
101.02430	9.1
107.04977	2.4
113.02417	5.2
113.68873	0.5
117.03360	0.8
119.03446	1.3
119.08617	0.9
133.02943	36.1
133.06516	0.9
134.03735	5.5
135.04514	61.1
137.02356	1.2
138.06781	1.4
139.07547	2.6
147.56494	0.6
149.09659	1.0
151.07646	0.7
153.01927	0.9
158.04498	0.6
161.02441	100.0
161.09698	12.7
168.04254	1.1
179.03500	22.7
191.10817	9.9
193.05133	0.6
235.06090	1.4
235.09776	6.2
279.27332	0.6
301.51892	0.6
329.42975	0.7
415.12103	62.0
416.12518	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.125
Annotation	Alpinoside
Peak:m/z	Relative Intensity
53.90812	0.7
57.43415	0.8
59.01389	14.8
61.98539	1.5
61.98839	28.0
67.51463	0.9
71.01385	5.0
73.10280	0.9
75.62623	0.9
76.58444	0.8
83.01403	1.3
88.98817	1.1
89.02441	5.2
92.12320	1.4
96.96027	7.2
105.89948	0.8
119.95631	1.2
121.02987	1.1
133.02953	14.4
134.03745	22.5
135.04526	39.7
137.02467	4.4
139.00360	1.0
149.06096	7.3
153.01917	1.4
161.02435	76.8
164.01828	1.1
173.25208	1.0
178.02669	7.3
179.03516	10.1
181.02893	0.9
191.10725	1.2
193.05058	20.1
203.53555	0.9
223.92239	0.9
253.07187	100.0
254.07462	1.0
356.88959	0.9
415.11771	1.6
415.16235	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	415.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40295	0.3
57.03428	0.5
58.00584	0.5
58.86655	0.4
59.01112	0.6
59.01385	11.0
60.55728	0.4
60.99325	0.8
61.98833	20.5
71.01380	4.6
73.02932	0.7
74.88436	0.4
81.45472	0.4
85.02943	1.8
88.98805	5.5
89.02451	4.1
91.03981	0.8
92.09078	0.4
96.95994	0.6
101.02443	2.8
107.05047	0.7
108.02151	0.9
109.02956	0.5
113.02428	0.9
117.03442	0.6
119.03474	0.7
119.08665	0.4
121.02940	0.5
123.04493	0.5
123.69330	0.5
132.02107	0.8
133.02946	19.3
133.06601	1.7
134.03732	3.9
135.04514	48.7
137.02443	1.5
138.06850	0.8
139.04004	0.8
139.07637	2.5
151.07697	0.7
152.01115	0.8
153.01875	0.6
161.02437	89.7
161.09729	7.5
163.04048	0.6
173.09711	0.5
175.07611	1.0
177.01881	0.7
178.02678	0.6
179.03490	16.3
191.10773	8.7
235.09735	4.2
252.06410	1.6
253.07176	100.0
254.07506	0.8
315.07208	0.8
323.92392	0.4
343.28833	0.6
383.79193	0.5
401.86139	0.5
415.12442	29.0
415.16379	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	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
58.00590	0.9
59.01384	36.5
61.98537	1.1
61.98832	22.4
71.01376	18.1
72.69303	0.6
73.02934	1.6
73.17945	0.6
75.97619	0.6
83.01392	1.1
83.05034	1.6
85.02950	7.0
89.02434	9.2
94.27846	0.7
95.01355	1.0
95.04973	0.6
101.02438	7.4
107.05029	1.3
108.02168	0.7
109.06564	1.1
112.71552	0.7
113.02441	5.8
117.60133	0.7
119.03502	2.7
124.05274	4.0
124.23639	0.7
125.06098	1.0
129.71425	0.6
133.06548	2.9
137.06030	1.4
138.06868	7.4
139.07646	17.4
147.08142	0.9
151.07642	7.3
158.07402	0.8
161.09717	1.6
173.09763	1.3
175.07640	9.6
176.08337	0.8
191.10776	39.5
235.09808	1.7
271.03708	0.7
415.16122	100.0
416.16312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1612
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
54.82270	0.5
55.01880	1.3
56.19772	0.5
57.03449	1.5
58.00590	1.0
59.01387	40.1
59.46481	0.7
67.87564	0.6
71.01379	19.2
73.02945	1.4
76.57035	0.6
83.01379	2.9
83.05021	3.7
85.02964	7.1
89.02441	14.6
95.01394	2.6
101.02436	10.4
105.88389	0.7
107.05032	2.8
109.06602	1.0
111.04454	0.8
113.02451	6.4
119.03493	4.3
122.03745	1.0
124.05293	4.1
125.06119	1.1
133.06595	3.7
137.06050	1.0
138.03232	0.9
138.06842	11.2
139.07640	18.6
149.09782	1.4
150.70306	0.7
151.07649	8.6
158.07495	0.7
167.69102	0.8
173.09698	1.4
175.07646	13.2
176.08319	0.9
191.10783	46.6
208.54655	0.7
415.16162	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	415.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61673	0.2
55.53334	0.3
58.10042	0.3
59.01373	2.2
70.00546	0.3
74.02448	0.4
78.95898	5.9
88.21825	0.3
92.12402	1.5
96.96965	0.3
103.33781	0.3
105.45588	0.4
118.04984	0.3
121.02943	1.3
124.66841	0.4
128.59413	0.3
152.99593	18.4
203.22453	0.3
225.65880	0.4
279.23315	100.0
280.23727	3.8
293.21182	1.8
305.21167	0.4
415.22620	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	415.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13030	0.2
53.99746	0.2
57.83054	0.2
59.01386	0.5
61.08087	0.2
68.99569	1.5
74.99100	6.0
77.00661	71.0
92.34018	0.2
112.98586	0.5
131.36279	0.3
137.36847	0.2
147.08141	2.8
149.09740	2.2
160.08987	0.4
161.09753	1.4
163.11316	3.6
179.10791	0.3
182.99503	0.2
187.11299	3.8
203.10944	0.2
265.12531	0.4
279.13919	1.5
279.23340	0.3
280.14774	1.6
307.17072	1.3
309.22226	2.8
321.18594	0.4
330.85071	0.3
337.21762	100.0
338.22021	2.2
415.23172	14.7
416.23703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03159	0.7
59.01158	0.8
59.01387	14.7
61.98835	64.3
71.01376	4.4
73.02935	3.3
85.02948	4.5
89.02435	1.5
90.17032	0.7
101.02434	13.0
113.02447	0.9
115.68612	0.7
116.92884	1.0
130.01297	0.8
131.03479	2.9
160.84279	1.6
161.04572	10.2
162.83899	7.5
163.11305	1.5
210.52089	0.8
253.21736	100.0
254.22128	3.2
379.30618	0.8
411.21365	0.9
415.05701	1.0
416.05722	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	415.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87682	0.3
59.01384	6.1
61.98832	100.0
64.00383	0.3
71.01397	0.8
73.02944	1.3
83.01358	0.3
85.02951	0.7
88.04032	0.4
89.02431	0.5
101.02424	4.6
103.65502	0.3
113.02421	0.3
116.92918	0.4
131.03491	0.7
155.24883	0.3
156.60924	0.3
161.04601	2.1
182.99977	0.3
243.71558	0.3
253.21725	23.7
254.22295	0.4
286.02853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05362	0.3
59.01384	100.0
66.58331	0.3
68.92930	0.3
164.61781	0.3
205.51076	0.4
221.35188	0.4
222.07826	0.3
322.52939	0.4
363.31747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
75.88297	0.4
135.79294	0.3
204.80139	0.4
329.23846	0.4
415.61353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77333	0.2
57.08730	0.2
59.01384	37.4
60.01719	7.5
60.95535	0.2
61.01807	7.6
61.02104	0.4
61.98832	100.0
62.02147	0.6
163.11353	0.4
164.11687	0.3
177.09251	0.5
179.10837	0.5
180.11182	0.5
299.16263	0.3
338.22278	1.0
340.20520	0.4
341.20612	1.9
355.23022	0.5
356.22980	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	29.2
60.01725	5.3
60.02014	0.3
61.01816	6.3
61.02108	0.3
61.98840	100.0
62.02135	0.1
63.63866	0.1
64.69604	0.1
65.17795	0.1
81.40688	0.1
87.11969	0.1
115.04583	0.2
116.92892	0.3
302.82730	0.2
315.14536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
50.07930	0.6
55.01876	1.0
56.49775	0.5
57.03447	1.5
58.00594	0.9
59.01392	48.6
61.98841	1.4
71.00559	0.6
71.01392	23.3
72.99320	3.3
73.02942	1.4
75.00890	1.4
76.57497	0.7
81.06371	0.6
83.01383	3.2
85.02950	7.8
87.00867	1.2
89.02442	18.9
90.85310	0.6
95.01402	1.0
96.95999	3.6
99.00933	0.7
101.02440	15.9
102.98590	0.8
108.02141	1.4
113.02452	8.1
119.03472	7.3
121.02982	0.8
137.02383	0.8
138.06885	4.4
141.09210	1.4
153.09196	0.9
158.06093	4.2
160.03819	0.6
161.04570	1.3
162.05629	3.7
163.05954	2.7
167.03488	9.5
182.05856	39.5
183.06425	0.7
193.12337	0.8
202.05092	1.4
206.04608	1.5
207.04936	1.2
211.13499	1.2
232.56279	0.7
238.94756	0.7
373.18719	3.1
382.11450	3.8
417.17712	100.0
418.18091	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57549	1.3
59.00496	1.1
59.01384	55.2
61.98834	28.8
63.99260	1.5
71.01318	1.3
103.65176	1.4
104.26981	1.5
116.92837	2.5
141.01721	14.1
202.23637	1.3
220.19505	1.4
227.47226	1.4
253.21751	100.0
254.22179	6.5
296.84106	1.7
329.84525	1.7
335.22076	47.4
335.25900	2.6
406.80713	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04689	10.2
51.81071	11.4
52.57931	9.5
52.78153	11.8
53.26606	10.9
54.82132	13.4
55.65269	9.3
59.01374	83.0
61.98824	13.7
64.05051	11.6
71.01388	14.5
92.64617	16.2
93.03413	14.6
102.86061	14.3
116.92850	27.3
146.06023	12.1
149.09782	22.7
149.38875	14.4
161.04568	16.1
218.69951	13.8
255.23267	100.0
417.24304	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75755	0.1
56.58267	0.1
59.01386	100.0
60.92638	0.1
62.06273	0.1
70.62997	0.1
104.84945	0.1
115.38691	0.1
117.87732	0.1
255.23502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
60.08030	0.3
61.83926	0.3
64.34256	0.3
79.00107	0.3
82.52754	0.4
92.11729	0.8
156.21805	0.3
195.75859	0.4
203.34073	0.3
285.93652	0.4
310.83804	0.3
359.94083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56884	0.1
55.05407	0.1
59.01383	1.5
59.45762	0.1
60.70906	0.2
61.01809	0.3
61.98833	100.0
68.53513	0.2
71.01389	0.7
71.61691	0.2
79.33865	0.2
80.82278	0.2
85.02943	0.2
101.02429	0.3
160.01747	0.6
175.04047	0.7
191.10835	0.4
192.11200	1.1
193.05116	0.2
193.11339	0.2
211.07219	0.2
243.94994	0.2
282.31567	0.2
328.26343	0.2
417.16727	1.9
418.16910	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	418.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
59.50923	0.2
61.95669	0.2
61.98833	100.0
85.05660	0.2
85.96831	0.3
95.58293	0.2
131.63870	0.3
133.05315	0.3
166.05054	0.9
185.29245	0.3
240.21373	0.3
251.59358	0.2
306.94870	0.3
315.97275	0.2
355.86850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.9
60.01728	2.5
61.01820	2.4
61.98835	100.0
84.19626	0.3
87.00891	0.6
88.04044	1.7
116.92843	3.4
130.08797	2.1
139.03673	0.3
166.81418	0.3
226.82852	0.4
337.19907	0.4
354.01508	0.4
378.59720	0.4
418.33524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42778	0.3
53.14582	0.3
53.97307	0.2
56.85534	0.2
56.85807	0.2
59.01387	55.0
60.01718	10.0
60.52736	0.2
61.01809	11.7
61.02103	0.6
61.98833	100.0
62.02138	0.4
67.57011	0.3
82.89082	0.3
95.05851	0.3
116.76269	0.3
116.92898	1.6
124.27083	0.3
157.40059	0.3
162.57774	0.3
230.88071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2967
Annotation	8-Ethoxysachaconitine
Peak:m/z	Relative Intensity
50.54529	0.4
58.02989	0.4
58.73122	0.4
59.01372	1.9
60.24922	0.3
61.98837	5.5
72.00919	7.9
74.02477	3.3
78.06339	0.4
88.94085	0.5
93.03457	7.1
106.04229	3.1
107.05035	17.3
107.72094	0.4
116.92811	0.6
119.05020	27.9
134.06065	0.5
136.07668	5.1
163.04013	28.6
165.73074	0.4
180.06668	91.8
212.77730	0.4
250.85678	0.5
254.24904	14.2
266.24796	3.2
298.23880	0.7
304.26526	3.8
316.06934	0.5
316.10590	0.5
374.30661	12.8
382.24252	2.6
386.73300	0.5
418.29684	100.0
419.30145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
58.87381	1.1
59.01384	100.0
71.01376	15.8
73.02942	6.7
83.01365	2.5
85.02954	10.6
89.02449	4.6
92.73031	1.1
96.95997	6.3
101.02422	15.8
113.02417	6.7
141.01692	40.5
159.02913	1.3
161.04565	9.7
169.36098	1.1
233.10214	1.0
238.90965	1.2
243.63895	1.1
244.53590	1.2
251.11362	15.3
273.08398	2.4
293.12384	1.8
333.11777	17.0
383.15555	11.8
419.13132	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	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41975	0.5
54.82728	0.9
59.01385	1.5
61.98841	1.2
64.34574	0.6
72.50828	0.6
78.95900	5.6
81.74714	0.6
86.70695	0.7
91.83648	0.6
96.96003	0.8
110.98532	4.5
136.34822	0.6
167.01115	0.6
185.02222	3.1
251.20181	100.0
252.20560	2.6
318.82593	0.7
346.64819	0.7
419.22205	4.9
436.04251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02691	4.6
57.49776	4.9
58.52519	5.7
59.01375	14.5
61.98832	100.0
62.18066	5.1
68.42137	5.3
68.75264	5.4
76.59694	5.7
82.25899	5.3
88.98789	29.6
90.59940	6.1
112.20904	6.6
113.64001	6.5
119.05024	11.2
138.03812	6.3
145.02957	9.3
179.58157	6.2
260.70981	7.0
298.03323	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	419.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02302	0.3
50.24619	0.2
60.42288	0.3
60.42738	0.3
60.99313	17.9
63.37239	0.3
64.00871	0.3
69.49925	0.3
82.95413	9.1
88.98801	100.0
89.02448	1.6
89.99149	0.4
133.30951	0.3
143.14355	0.3
152.42522	0.3
171.10281	0.4
211.13464	1.9
229.14505	0.8
246.13335	0.3
303.08096	0.4
329.23431	5.8
330.23590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37258	0.9
58.22243	0.9
58.57109	0.8
59.01370	4.6
60.34130	0.9
60.99313	18.4
61.98826	2.1
66.45735	0.9
88.98800	100.0
89.02435	2.2
89.59893	0.9
103.11886	0.9
104.00101	1.0
119.05047	1.4
139.11353	0.9
145.02991	1.6
146.59422	0.9
156.48404	1.0
163.03941	1.2
171.10252	6.9
201.11330	4.9
329.23306	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	419.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01390	3.6
51.47873	3.9
59.01109	6.2
59.01387	100.0
60.01719	4.9
61.98816	6.1
62.27700	3.4
68.02527	17.9
72.66082	4.3
88.04012	6.0
89.02347	4.1
96.00715	4.3
109.67827	4.6
116.92869	8.0
163.11296	29.2
172.33005	4.0
179.07013	4.3
182.84471	3.9
221.12108	4.3
232.35794	4.4
243.13962	23.6
255.23315	93.0
277.21603	6.2
297.24240	6.6
337.24088	13.6
419.25696	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	419.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10394	0.4
55.03469	0.4
55.89570	0.4
56.05103	0.4
56.77851	0.4
59.01386	100.0
61.98844	0.7
76.56923	0.4
80.31461	0.4
83.35999	0.4
85.01438	0.4
173.99548	0.5
205.54485	0.5
223.22263	0.4
225.22438	0.5
255.23285	7.0
301.94641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01064	0.4
59.01389	0.6
61.98823	2.7
65.03969	10.2
67.01888	3.1
71.01385	0.6
79.52738	0.4
80.39583	0.4
88.69462	0.4
96.96003	0.9
109.02943	100.0
110.03262	1.0
122.02475	10.6
135.00871	6.8
148.84676	0.4
153.01932	50.6
162.05548	0.7
188.03326	0.5
334.39978	0.4
353.07950	0.5
420.09354	11.0
425.41132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33406	0.2
51.20811	0.2
59.01390	16.7
59.81266	0.2
60.01717	2.5
60.86853	0.3
61.01815	3.2
61.98836	100.0
92.12386	0.6
96.75828	0.3
123.09780	0.3
143.14336	0.3
167.87643	0.3
197.36443	0.3
278.33307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82618	0.1
59.01110	0.3
59.01390	5.2
61.59019	0.2
61.98835	0.2
65.68551	0.1
71.01387	2.1
72.99294	0.2
74.02468	0.3
78.41986	0.1
79.78492	0.1
79.95741	1.5
82.95427	1.3
85.02956	0.3
89.02448	2.5
96.96007	100.0
101.02432	1.6
107.32990	0.1
113.02475	0.8
113.92621	0.3
116.05057	0.2
119.03522	1.1
119.30029	0.1
120.42979	0.2
130.06584	0.3
146.12224	0.2
157.07703	0.3
159.95389	0.2
203.08337	0.3
217.06050	0.2
241.44737	0.2
247.08989	0.2
259.08859	0.8
272.22247	0.2
290.12839	0.5
323.13528	7.4
334.12003	0.2
377.16190	0.2
394.60721	0.2
401.38004	0.2
421.15359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1557
Annotation	Losartan
Peak:m/z	Relative Intensity
59.01375	2.2
61.98812	5.0
77.65308	2.2
78.95901	3.6
87.00868	3.6
92.12333	2.8
108.90153	3.0
121.02954	13.4
121.38504	2.2
149.00162	2.2
208.17384	2.3
349.16974	9.3
361.31744	2.3
383.07587	3.3
385.14536	13.0
401.99200	2.3
421.15607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1641
Annotation	Lespedezol E2
Peak:m/z	Relative Intensity
59.01385	30.7
61.98814	10.2
71.01366	7.9
78.35800	1.5
78.95888	1.7
85.02914	2.1
89.02416	9.8
92.11798	3.5
92.65733	1.6
93.03458	14.7
96.95998	34.4
96.96979	2.6
101.02429	2.5
108.02174	14.6
109.02467	2.6
117.91858	1.5
133.02888	3.0
135.04520	15.0
137.02406	13.4
138.61700	1.8
149.02446	16.8
152.01143	11.1
161.02417	17.6
162.05588	6.9
164.04800	19.8
175.00381	23.9
177.05437	1.9
179.03465	10.2
179.07092	2.0
190.02722	92.3
190.04425	3.6
200.44514	1.9
205.05083	100.0
206.05733	2.3
208.03745	2.6
223.06120	31.3
243.55647	6.1
244.05659	2.2
247.06096	10.0
295.08157	2.4
318.53790	2.1
325.09494	2.3
385.11444	53.1
386.11639	2.0
421.09851	11.0
421.16330	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16532	0.1
57.60273	0.2
64.96835	0.2
69.45508	0.2
70.81420	0.2
80.91665	1.1
89.64226	0.2
92.12387	0.2
147.08159	0.2
161.42751	0.2
163.11278	100.0
164.11568	2.5
164.12523	0.2
167.91338	0.2
170.31288	0.2
338.17816	0.2
339.23294	53.6
340.23645	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	421.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61631	18.9
61.98837	100.0
68.98672	20.3
74.54945	19.5
76.57491	20.1
87.00897	32.0
92.65573	21.4
93.35935	25.5
95.70091	22.9
101.39017	21.2
102.30640	21.4
170.42973	21.2
251.20294	44.7
252.20567	36.3
253.21010	38.6
259.04147	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.2
59.16992	0.3
61.65885	0.2
78.95914	4.7
110.98528	5.0
119.80824	0.3
120.02143	0.3
131.95825	0.3
152.99570	0.7
167.01131	1.4
185.02194	2.7
239.27072	0.3
253.21727	100.0
254.21988	4.1
421.23618	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	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87745	0.3
59.01365	0.3
67.04812	0.3
70.32086	0.3
71.28519	0.3
78.95896	12.1
80.96507	2.5
83.05020	0.4
84.87515	0.3
110.98526	7.2
110.99236	0.6
152.99576	5.3
167.01131	6.2
185.02171	2.5
212.13919	0.3
237.82780	0.3
243.67720	0.3
253.21739	100.0
254.22076	3.0
421.23587	12.8
421.29343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76176	38.4
59.01388	100.0
59.94605	45.1
61.98861	56.5
70.63459	47.9
79.11985	40.0
93.61269	40.2
95.41935	42.1
128.46967	45.5
285.69412	52.4
338.17636	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83142	63.4
55.09003	76.8
56.36022	66.4
61.98787	88.4
82.33893	81.3
86.30551	78.5
108.41018	81.8
140.10205	81.3
171.57085	88.2
172.60606	84.3
210.83325	89.3
233.24178	80.5
339.19885	90.5
376.33502	100.0
428.49731	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11209	0.1
53.11791	0.1
59.01382	1.2
61.98836	100.0
76.03412	0.1
85.85951	0.1
96.96006	0.2
144.41879	0.1
152.01160	0.4
158.88637	0.1
167.03571	0.2
287.75806	0.1
428.92679	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	423.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59819	0.2
55.26804	0.3
59.01387	2.3
70.64700	0.3
71.01386	1.1
74.02475	0.3
78.12004	0.3
78.95889	0.4
82.95412	1.8
84.04561	0.4
87.00856	0.3
88.04037	0.5
89.02443	0.4
96.96000	3.2
98.95567	2.9
99.92596	1.7
100.93391	0.6
113.06054	0.4
114.05600	100.0
115.05943	0.5
115.92067	7.2
116.92840	3.1
117.92980	0.3
134.04742	1.2
137.35799	0.3
146.08267	0.5
146.22791	0.3
150.80333	0.4
156.06665	56.4
157.05077	0.5
157.07007	0.5
160.04073	0.3
174.05606	0.6
177.70390	0.3
218.10291	0.6
276.21756	0.3
316.27585	0.3
328.30548	0.3
361.06058	2.7
363.56909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	54.0
61.14432	3.7
61.98829	10.5
71.01376	16.7
73.02924	6.0
89.02453	10.5
94.41960	4.9
96.96014	30.6
101.02438	8.4
115.66284	4.3
119.03448	6.5
133.02954	28.5
134.03749	4.6
135.04536	98.5
137.02432	4.2
153.04265	5.5
161.02441	99.5
162.05589	5.1
165.00552	5.4
179.03493	35.8
190.02731	5.2
202.01717	5.0
206.08464	4.4
224.05728	16.5
225.06105	4.8
280.74399	4.6
302.37097	4.6
304.28708	4.4
325.41046	4.6
335.64267	4.6
335.74252	4.4
353.31558	4.4
358.41425	4.5
385.11438	100.0
386.11792	6.9
387.11700	22.7
387.16696	20.7
423.17978	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21539	0.2
53.72124	0.2
54.25173	0.2
59.92390	0.2
65.10265	0.2
79.63025	0.2
85.46087	0.3
92.11697	0.3
93.03437	0.5
102.14768	0.2
114.37589	0.2
117.03457	1.2
119.05014	100.0
120.05367	1.1
122.17702	0.3
132.05788	0.6
133.02940	2.9
134.03732	66.5
135.04523	32.6
136.04890	0.3
137.02449	0.4
145.02972	3.9
147.04425	0.3
148.05327	1.9
149.06076	28.4
155.88185	0.2
160.01659	1.7
160.04088	0.6
161.02461	1.8
161.06078	1.9
162.03378	0.3
175.02724	1.5
175.04036	1.3
176.03502	1.8
190.05133	2.1
190.10080	0.5
197.05823	0.2
204.06668	5.1
229.13495	0.5
230.11902	1.4
232.09862	0.5
240.58961	0.3
244.09836	1.2
245.10670	0.4
245.12903	0.9
246.11400	0.5
247.14490	1.6
258.20013	0.2
261.12460	9.7
262.13141	4.2
273.12463	35.0
274.12723	0.6
287.10373	5.1
288.11172	12.8
289.12061	1.2
296.05634	0.2
303.13538	21.9
304.13766	0.4
407.16125	1.2
408.16928	0.4
423.19302	40.8
424.19745	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2158
Annotation	Walsurin
Peak:m/z	Relative Intensity
61.98831	0.5
77.33735	0.3
78.95898	100.0
96.96008	0.4
96.96939	2.0
110.98521	57.1
119.05035	3.1
133.81880	0.3
137.00108	1.5
139.80814	0.3
163.03989	2.9
211.13554	0.4
249.57394	0.3
387.10861	1.6
391.19012	2.6
423.21591	43.6
424.21707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60539	0.2
51.28739	0.2
52.49049	0.2
64.30241	0.3
65.69627	0.2
72.58266	0.2
73.05596	0.2
77.50105	0.2
78.95895	6.3
85.37949	0.2
97.06027	0.2
110.98526	5.4
145.90823	0.2
148.45961	0.3
167.01186	3.5
185.02232	1.8
255.23317	100.0
256.23624	2.5
257.76874	0.3
423.25220	10.5
424.25525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29294	41.9
59.01385	59.3
61.98837	96.3
74.51530	45.1
76.04448	45.8
78.95871	84.4
152.99541	55.4
174.81464	57.9
175.09727	56.7
255.23515	100.0
265.84918	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	424.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.5
61.33755	5.6
66.39471	7.0
73.89776	7.2
75.81087	6.4
82.95412	15.5
84.95091	6.0
96.96019	28.1
102.30318	6.8
105.97389	6.9
116.92071	9.0
117.93156	7.6
122.02473	62.5
156.28864	6.7
162.05515	8.5
174.05612	100.0
206.04681	8.7
238.54517	6.4
250.62376	7.5
424.09723	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	424.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03504	3.3
71.01392	1.9
71.44459	1.4
72.00902	8.7
75.00903	1.9
78.95895	2.8
82.02988	15.4
82.95415	2.7
93.03442	7.0
96.04535	1.3
96.95986	10.6
96.96965	8.4
97.04475	1.4
100.04134	1.8
102.38745	1.6
103.92031	3.8
110.02472	53.0
111.02007	10.2
114.05598	2.1
117.01966	1.8
119.05025	27.0
122.02478	1.9
130.08748	7.6
137.88156	1.5
140.03461	6.0
152.03555	10.0
153.03026	3.7
161.96211	1.8
163.04021	33.2
172.06128	1.7
180.06670	100.0
200.05669	22.6
243.06221	98.7
243.08763	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	424.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32332	1.0
54.82734	0.9
59.01378	13.1
61.98835	68.8
71.01383	9.3
73.02956	2.3
73.25121	0.9
80.33235	0.9
82.95425	1.8
85.02943	6.0
89.02439	1.9
92.11697	1.3
96.84614	1.2
96.96028	1.3
101.02442	5.5
105.88751	1.0
113.02453	2.7
116.05058	31.4
128.05103	2.3
131.03769	7.2
132.26881	1.1
144.04549	60.9
146.06114	100.0
160.03983	1.4
160.23959	1.1
162.05603	28.4
162.58713	1.1
162.65700	1.1
172.04041	77.9
181.79485	1.2
188.03561	1.5
190.05099	44.3
224.44489	1.1
228.79115	1.3
361.22192	4.8
424.16171	37.6
431.78915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37555	0.6
53.86915	0.6
54.12735	0.5
56.35500	0.5
61.28511	0.5
61.98840	2.7
62.03896	0.6
66.40025	0.7
78.95905	20.3
80.21712	0.7
82.95421	0.9
88.15031	0.6
122.00135	0.8
134.00691	0.7
140.01210	6.9
152.99529	0.8
185.38722	0.7
196.03874	6.9
215.00812	0.8
218.40485	0.7
227.20169	100.0
228.20386	1.6
256.23566	0.7
294.35382	0.7
311.53174	0.7
424.24701	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2861
Annotation	Veralodine
Peak:m/z	Relative Intensity
57.00779	0.3
58.02978	6.8
61.98831	0.7
69.50207	0.4
70.10663	0.4
72.00906	10.7
73.80565	0.4
77.30652	0.4
78.95914	0.5
91.05515	6.1
92.65660	0.5
114.38765	0.5
116.92867	0.8
127.62677	0.5
135.04536	0.7
144.55713	0.5
147.04523	43.6
148.04907	0.5
164.07169	81.4
164.40756	0.4
165.07489	0.9
185.25192	0.5
200.41968	0.5
216.07651	0.5
256.23611	1.1
288.23334	2.2
288.26306	0.5
315.98932	0.5
380.29739	1.7
424.28629	100.0
425.28912	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80884	0.5
53.47642	0.5
55.01868	2.7
57.03455	6.0
59.01111	1.1
59.01383	18.7
59.01682	0.8
59.27153	0.5
61.89744	0.5
61.98824	1.3
69.03434	0.9
71.00989	0.9
71.01376	24.8
72.99284	3.4
73.02921	3.9
75.00460	1.1
75.00864	25.6
82.95387	2.6
83.01359	4.0
84.02177	0.6
85.02946	36.3
85.06603	1.0
87.00872	9.9
89.02427	4.5
95.01369	3.6
96.95972	1.1
97.02908	1.0
99.00867	10.2
101.02441	10.8
103.59393	0.6
110.79539	0.6
111.00918	0.8
112.01623	1.2
113.02437	25.2
115.00336	3.0
117.01912	1.2
117.08112	0.6
117.64793	0.7
121.31134	0.6
131.03485	2.3
131.07126	3.3
134.03745	1.2
160.03993	1.2
161.04546	1.1
162.05626	1.1
175.02460	2.8
193.05048	0.9
206.04510	0.9
208.58383	0.6
229.99187	0.6
249.13416	3.6
265.48798	0.6
307.13907	0.7
372.65329	0.7
425.16696	100.0
426.16879	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82493	0.2
59.01384	2.6
61.98822	0.6
71.01375	1.9
75.31391	0.2
78.95864	0.3
79.51438	0.3
82.95398	0.6
85.02946	0.5
89.02429	1.1
92.11757	0.6
92.65217	0.3
93.03434	0.5
93.24379	0.3
101.02420	1.2
107.05020	1.5
117.03423	0.4
119.03489	0.4
119.05027	1.2
132.02161	0.6
133.02939	1.8
134.03731	26.0
135.04514	100.0
136.04863	0.4
144.76801	0.3
145.02966	0.3
148.05321	1.6
149.06076	8.1
160.01625	1.8
160.03989	0.3
161.02396	2.4
161.04507	0.3
161.06096	0.5
162.03159	0.3
162.05576	0.5
163.03975	0.4
175.03975	2.4
176.03539	0.4
182.51489	0.3
190.05133	1.0
193.05109	0.4
201.12802	1.4
204.06619	1.4
207.11447	1.0
231.08940	0.4
232.09833	3.5
240.58948	0.3
247.10912	4.6
248.11658	1.6
249.12428	8.8
263.13892	0.4
273.08844	1.3
274.09592	4.6
275.10379	11.8
284.22549	0.3
289.11948	11.1
385.24466	0.3
389.12454	0.4
425.17230	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	425.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23048	0.9
51.49651	0.9
59.01384	35.2
61.98837	1.5
64.78841	1.0
71.01373	22.9
72.99290	1.4
73.02950	1.5
80.91653	1.8
82.95398	5.2
83.01371	1.2
84.35640	0.9
85.02950	5.5
86.00095	11.8
89.02435	29.0
96.54687	1.1
96.95950	1.0
113.02438	5.0
149.04514	1.5
157.19145	1.1
161.02382	1.1
163.03830	1.1
192.76492	1.1
193.12395	1.7
204.07039	1.1
211.13397	19.9
231.10027	5.4
233.11496	4.1
234.05096	4.3
247.13031	1.5
251.12668	4.0
275.12695	11.1
293.13708	10.5
295.11542	1.8
303.12158	2.1
343.17557	7.0
347.14667	1.7
352.82086	1.1
365.15802	100.0
366.16217	2.4
404.84653	1.3
409.14731	5.6
425.17194	2.4
443.93655	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	425.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01388	8.6
59.45577	0.7
61.98840	0.9
69.27255	0.8
82.95398	1.0
96.96004	4.3
96.96940	0.9
117.30289	0.7
121.10271	1.3
125.09704	10.4
127.11281	1.3
130.01193	0.8
137.09737	1.3
139.11282	46.4
146.74728	0.9
165.08968	8.6
165.12843	1.9
167.10599	1.3
171.10269	46.9
171.26843	0.9
172.46924	0.9
191.06886	2.0
193.08464	100.0
201.11357	1.0
209.08026	4.2
211.13408	1.7
223.09488	1.1
232.75496	0.8
233.11636	4.3
243.19469	1.0
251.11371	0.9
333.19601	4.7
343.24930	48.8
365.23114	29.4
409.21802	1.2
425.24655	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	425.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66007	0.4
52.99169	0.5
54.82924	0.4
59.01112	0.7
59.01391	18.5
61.98826	0.6
67.85018	0.5
69.03457	2.7
70.81775	0.5
71.23101	0.6
80.91673	3.6
83.04998	2.4
95.05021	8.2
96.96058	0.7
97.06601	1.1
99.08151	17.9
101.68528	0.7
121.10218	0.8
125.09710	3.6
137.09677	1.4
151.11279	0.9
165.12860	2.3
171.10275	10.1
175.11313	1.2
193.08475	3.7
193.12343	32.2
197.15532	0.8
211.13411	6.8
215.10594	12.1
225.14989	44.2
232.10808	3.4
233.11607	7.4
243.16034	15.6
247.09538	0.6
247.13141	4.7
264.09811	33.8
265.09854	0.7
265.14267	4.3
279.12137	6.7
293.21262	1.2
301.71921	0.7
309.13309	4.2
343.24945	100.0
344.25204	0.9
365.23099	6.4
409.21832	1.1
425.25348	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	426.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	100.0
63.56179	0.2
78.95922	1.0
80.96467	0.2
96.29721	0.2
96.96010	4.9
96.96972	1.0
114.05602	2.2
137.29082	0.2
183.99948	0.2
295.80676	0.3
311.19290	0.2
311.22513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03441	0.5
58.00600	0.8
59.01384	36.6
61.98822	2.7
71.01381	15.8
72.00906	5.2
72.04069	0.5
72.99301	1.2
78.95850	0.5
83.01387	0.9
85.02952	2.9
89.02434	14.6
91.05516	3.6
91.90840	0.5
92.12344	0.5
95.01357	1.0
96.95969	0.7
98.06085	3.5
101.02443	8.5
113.02467	4.7
119.03464	4.6
119.04965	1.0
121.02896	0.5
128.83884	0.5
137.02478	0.6
147.04523	27.9
160.04028	2.5
162.05618	4.2
164.07167	100.0
165.07478	1.1
188.03549	1.1
202.12430	0.9
206.04579	2.2
240.79831	0.5
246.11343	77.5
247.11714	2.5
390.18472	2.2
426.17734	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02994	0.7
58.93972	0.5
61.98821	0.8
87.00865	6.3
88.04036	1.4
99.92569	20.5
100.93339	8.0
102.05624	0.8
115.92067	100.0
116.92089	1.2
116.92843	12.7
117.92868	0.9
125.92848	0.5
147.67850	0.6
169.95486	2.4
170.93933	6.0
174.93385	5.8
237.22253	6.0
262.13980	0.6
281.70963	0.7
296.26184	0.9
305.51944	0.6
324.25479	1.1
380.18997	3.0
396.18585	0.7
405.90628	0.6
408.18506	0.9
426.19598	41.4
427.19809	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28445	0.6
56.98043	0.5
58.02977	1.1
60.97522	3.7
62.89653	0.6
63.61189	0.6
63.96233	3.7
64.34495	0.6
72.00903	15.2
72.74886	0.6
74.02476	7.6
75.25024	0.5
76.57257	0.7
76.97008	4.5
77.00655	3.3
79.95739	1.4
86.00693	10.2
98.06083	2.2
100.04032	4.5
114.98573	0.7
117.29761	0.7
128.03545	0.8
156.06815	0.7
164.03871	17.3
164.05202	1.1
237.98819	0.7
242.21060	0.8
255.23282	1.4
256.23743	4.6
257.23950	1.3
258.24210	2.6
261.22250	3.4
277.28842	0.8
278.17633	1.0
278.24911	1.2
279.23132	1.4
304.26492	8.7
306.24274	0.9
318.28043	30.4
318.31808	1.0
335.24716	2.8
344.47278	0.7
348.23645	1.5
362.27182	5.7
411.24454	5.0
426.26877	100.0
427.27136	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	426.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42187	0.3
54.78076	0.3
55.68013	0.4
58.02973	0.5
59.01385	0.3
61.98840	3.0
63.18933	0.3
65.38289	0.3
68.99557	0.6
84.35201	0.3
99.92624	0.4
112.98506	0.5
115.92073	0.6
116.92858	2.4
128.10808	2.1
130.08728	100.0
131.09142	0.7
159.03909	0.3
183.57085	0.3
277.21777	0.6
346.31332	0.4
390.30176	60.5
391.30606	1.4
426.19446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3017
Annotation	11-Deoxo-6-oxo-5alpha,6-dihydrojervine
Peak:m/z	Relative Intensity
50.16246	0.3
52.61557	0.3
58.02713	0.3
58.02982	7.0
58.76413	0.3
61.98800	0.3
64.34776	0.3
72.00539	0.4
72.00909	10.5
74.02462	0.5
78.22384	0.2
83.76112	0.3
84.18973	0.3
91.05534	7.9
94.69577	0.3
109.19606	0.3
114.65751	0.3
116.92858	0.4
118.06606	0.6
135.04488	1.2
143.11917	0.4
147.04510	46.8
148.04893	1.1
150.56595	0.3
164.07162	86.1
165.07512	2.1
201.29466	0.3
234.48442	0.4
278.24908	1.9
290.24866	2.1
296.48422	0.4
304.26526	0.3
337.71130	0.3
382.31113	2.4
426.30161	100.0
427.30435	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	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69136	0.2
54.82697	0.2
55.01880	0.4
57.03453	0.4
59.01112	0.3
59.01389	5.6
61.98823	0.3
71.01386	5.5
73.02956	2.2
83.01386	1.5
85.02943	3.8
87.00886	0.3
89.02448	1.3
92.11776	0.6
95.01374	0.5
99.00869	0.6
101.02446	5.9
104.74708	0.3
105.03452	0.5
113.02479	2.1
132.02179	18.9
133.02968	7.1
134.03745	13.5
135.04478	1.2
137.02457	1.5
139.03871	0.3
149.06087	2.2
160.01669	100.0
161.02242	0.6
161.04536	0.6
162.05609	3.0
175.04015	86.0
176.04335	0.7
177.01923	0.7
177.05534	0.4
178.02708	0.7
179.03506	1.2
193.05080	10.6
206.04619	1.4
221.04501	0.4
259.70248	0.3
272.84198	0.3
412.13773	1.1
427.16138	67.0
428.16495	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	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.7
61.98820	1.4
62.26579	0.8
65.01940	1.0
71.01378	7.4
73.02951	1.8
85.02925	4.3
89.02409	2.3
96.95999	1.2
101.02426	6.3
109.02995	1.2
113.02431	1.2
117.03435	1.4
119.03516	1.1
122.02495	1.0
132.02158	17.6
133.02919	6.6
134.03734	14.4
135.04407	1.1
142.90184	1.0
149.05972	1.2
153.01952	2.3
160.01649	100.0
162.05554	2.3
175.03990	87.2
179.03612	1.1
193.05003	8.1
206.04576	1.3
224.89819	1.0
427.16037	62.4
428.16257	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	427.1976
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
52.04963	0.6
55.01873	0.8
57.03456	1.0
58.00596	2.7
59.01387	83.8
61.98832	3.0
69.03455	0.9
70.08976	0.6
71.01383	42.1
72.99307	3.7
83.01380	1.7
85.02944	9.3
87.00871	1.5
89.02441	45.4
90.45639	0.7
92.12450	1.4
95.01363	1.7
96.96008	6.3
97.02950	18.4
101.02437	22.9
113.02441	15.0
119.03490	16.3
119.04942	0.7
122.02470	31.5
129.52101	0.7
133.06584	4.2
134.03763	0.8
135.04544	0.8
136.04033	20.0
143.03467	1.5
145.02930	4.8
149.04576	1.1
149.09720	21.6
160.01692	1.0
161.04555	2.4
162.05615	3.3
164.03555	1.4
169.09729	0.9
175.04082	1.6
179.05634	3.2
187.11423	1.2
193.05038	1.4
203.14429	8.0
206.04575	0.8
227.03383	0.8
228.07553	0.8
229.12376	9.2
242.05873	1.5
247.13406	35.1
251.07715	2.8
257.08356	2.8
271.08539	1.4
391.12820	1.3
427.19809	100.0
428.15405	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	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47255	0.2
62.30275	0.2
71.56056	0.2
78.95893	12.8
79.95723	1.8
93.74912	0.2
96.96000	100.0
96.96928	25.1
97.93121	0.3
102.25755	0.2
114.93408	0.4
211.13419	0.4
265.07727	0.3
276.17874	0.2
284.81235	0.2
329.23267	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57593	0.2
59.01381	1.1
61.09813	0.2
63.46832	0.2
70.09048	0.3
71.01385	0.3
74.69577	0.3
75.00889	0.5
76.57073	0.3
78.95901	11.8
79.95735	1.8
82.86234	0.3
92.12432	0.6
96.96006	100.0
96.96930	21.1
99.08176	0.3
113.01694	0.3
113.09721	0.4
115.00373	0.5
129.09250	0.6
160.72636	0.3
169.12383	0.5
181.12349	0.4
181.39017	0.3
199.13460	2.1
201.11349	0.3
211.13495	0.5
253.07500	0.4
266.74954	0.3
267.09143	0.4
285.16791	0.3
291.05661	0.4
295.08737	0.3
311.22217	0.3
328.08487	0.5
329.23383	10.9
349.16876	2.3
367.18509	1.5
388.43036	0.4
427.20020	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
69.03455	0.6
71.01360	1.3
75.00870	2.2
75.94505	0.5
78.95901	11.7
79.95757	2.2
82.95406	0.8
83.01414	0.7
92.12447	0.6
96.96001	100.0
96.96928	20.5
99.08136	0.7
115.00352	2.9
143.43950	0.6
171.10294	2.6
199.13435	0.7
199.16945	1.1
201.11267	1.3
209.05859	1.5
241.07509	2.9
257.07083	2.0
293.21103	0.6
328.08426	0.8
329.23370	16.6
349.17004	4.1
351.21484	0.9
367.18494	3.7
417.41193	0.6
427.19669	5.4
453.47263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98829	1.9
67.76011	0.7
69.39503	0.7
71.01379	5.1
78.95895	7.9
82.95415	1.4
92.92796	0.9
94.92514	1.3
96.96006	8.5
96.96933	1.5
115.00344	8.0
140.27362	0.9
152.99591	11.2
199.17049	100.0
227.03210	1.5
331.19113	14.2
427.20950	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47096	0.1
58.72565	0.2
65.77817	0.2
75.48555	0.2
77.94504	0.2
78.45731	0.2
82.83094	0.2
90.63259	0.2
99.00916	0.3
99.92576	4.7
100.92596	1.0
100.93338	6.0
113.92570	0.3
115.41392	0.2
115.92070	100.0
116.92068	1.3
116.92859	1.7
117.92498	0.3
132.92355	1.3
145.59747	0.2
181.47899	0.2
216.43973	0.2
283.26526	0.4
300.69040	0.2
307.10425	0.2
327.29175	0.2
377.20648	0.2
385.36749	0.2
413.19864	0.3
427.21399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08213	0.7
57.79624	0.6
59.01387	9.0
61.98826	2.1
64.10899	0.8
64.62791	0.7
68.99232	1.2
68.99577	23.1
71.01379	25.8
72.99319	6.6
76.48413	0.7
78.74489	0.8
87.00912	1.1
96.95988	1.7
112.98559	16.4
115.00360	10.0
133.01424	1.7
139.11295	1.5
141.09192	0.8
153.09236	1.0
155.14413	1.0
167.10786	2.0
171.10312	1.7
172.96800	0.9
200.10515	1.1
249.22223	0.9
293.21255	7.7
311.22311	100.0
312.22659	3.3
355.20798	10.3
397.35129	1.1
409.22485	1.1
427.18756	1.8
437.64331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40793	0.4
56.69603	0.4
59.01394	100.0
64.99909	0.4
67.05476	0.4
116.92867	3.6
141.37993	0.5
293.21341	2.5
311.17123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19140	8.7
59.01379	22.7
59.31574	9.1
61.98830	19.7
71.46086	9.6
78.95918	11.5
92.12304	14.0
96.96006	100.0
96.96960	19.8
99.76956	9.5
140.50366	10.9
182.66096	11.7
226.82788	10.4
284.44321	11.0
427.27350	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63569	0.6
58.59311	0.5
59.01381	1.4
59.76450	0.6
61.98851	2.3
64.34916	0.7
78.95903	6.7
86.79522	0.6
91.94438	0.7
94.92539	1.3
96.96007	6.0
96.96923	1.5
100.76093	0.6
121.61745	0.7
133.02959	0.6
152.99597	10.2
155.00185	0.6
199.17053	100.0
200.17398	4.3
227.03253	1.0
331.19122	4.4
419.92404	0.7
427.21078	21.1
427.27289	7.6
428.21252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.35208	0.1
61.98832	100.0
68.19221	0.1
72.05162	0.1
86.22002	0.2
92.11787	0.3
104.74374	0.1
120.37857	0.2
148.01292	0.2
212.46942	0.2
225.05675	0.2
244.84802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2852
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
53.96557	0.8
54.82631	1.1
56.94510	0.9
58.89558	1.0
59.01390	1.3
61.98830	4.0
64.00289	0.9
68.50310	0.9
83.77448	1.0
88.04046	8.3
98.34559	1.1
98.95590	1.5
107.05032	10.6
114.55630	1.1
122.03720	19.1
129.87012	1.1
135.04514	100.0
136.05196	1.6
189.08676	1.1
190.10005	1.7
199.58281	1.1
251.20280	2.5
291.23386	6.3
305.78329	1.0
325.72430	1.0
351.27368	1.4
383.29587	1.4
409.27222	1.8
427.28619	97.1
428.28986	1.8
439.83893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98820	0.8
79.03466	0.4
92.65736	0.6
116.92886	0.9
149.06081	1.0
154.99826	0.6
262.46310	0.5
333.78937	0.6
427.19754	0.8
435.41165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04581	0.2
59.01107	0.6
59.01386	11.2
61.98832	0.8
62.94693	0.3
63.79717	0.3
65.10520	0.3
69.49831	0.3
71.01386	9.1
72.01737	0.3
72.99306	1.3
73.02950	0.4
78.03476	0.4
83.01389	0.4
83.55049	0.3
85.02917	0.8
89.02443	4.8
96.96018	0.6
97.02954	0.8
101.02432	3.7
108.04559	1.5
113.02441	2.1
119.03498	2.1
122.02474	100.0
133.06613	0.6
136.04037	71.7
148.90038	0.3
149.09718	0.7
150.09976	0.4
161.04512	0.4
164.03531	7.6
165.81340	0.3
194.04584	0.7
218.04561	0.4
224.05641	1.4
240.59891	0.4
244.63559	0.4
247.13423	1.8
248.13669	0.8
274.58356	0.4
359.12952	0.5
359.17825	0.3
427.19669	2.5
428.15472	27.0
428.20261	4.6
429.15720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05693	0.4
54.82447	0.4
56.83392	0.4
58.72798	0.4
59.01389	0.4
60.01314	0.3
61.98839	100.0
75.30717	0.4
82.95419	13.1
82.95882	0.8
84.00912	1.1
84.95110	3.8
134.04723	0.7
136.73828	0.5
147.27264	0.5
152.99567	0.5
199.17117	2.8
200.17468	2.9
203.92354	0.5
343.25189	0.6
368.50046	0.5
428.22473	9.2
430.07346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	0.5
59.74252	0.3
61.76109	0.3
64.07434	0.3
86.02760	0.3
90.11112	0.3
104.18245	0.3
104.33533	0.3
128.10767	2.4
130.08730	100.0
131.09084	0.3
149.99287	0.4
154.54512	0.3
165.07545	0.3
199.68367	0.3
210.34729	0.3
233.34738	0.3
292.76099	0.3
308.16904	0.3
322.41690	0.4
348.33014	3.3
375.34546	0.3
392.31754	73.4
393.32040	2.0
413.00995	0.3
427.30750	0.5
428.30646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3168
Annotation	Ebeietinone
Peak:m/z	Relative Intensity
52.34106	2.5
53.73891	2.5
54.82272	2.7
58.02969	3.7
59.01378	3.7
60.25332	2.2
72.00917	5.9
92.77324	2.5
94.27577	3.3
94.61715	2.6
97.71611	2.9
103.27923	2.8
106.01273	3.0
128.03577	5.8
147.04482	33.7
164.07155	62.1
266.99924	3.2
415.23819	3.3
428.31772	100.0
450.41583	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	428.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59693	0.3
58.02987	0.5
59.01387	6.0
62.59405	0.3
69.45383	0.3
78.95889	0.6
99.92583	0.3
115.03998	0.4
116.92120	0.4
116.92865	6.1
125.09799	0.7
128.10800	2.0
130.08731	100.0
131.09087	0.4
139.11292	0.4
141.12892	4.1
142.12367	0.5
171.13921	1.4
212.20245	8.2
240.19699	12.2
270.20728	0.4
273.77933	0.4
277.15338	0.4
348.32706	0.8
352.32343	1.6
382.33545	0.6
428.33859	73.2
429.34454	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	429.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76700	0.1
54.61953	0.1
62.59237	0.2
66.97227	0.2
69.92942	0.2
75.58553	0.2
79.28082	0.2
91.05542	0.2
104.05059	1.2
117.03462	2.6
119.05032	0.5
120.04544	0.9
131.03745	0.9
132.04539	4.3
132.95699	0.2
134.06100	1.0
135.04507	4.5
144.04526	0.7
147.03265	3.0
159.03308	0.6
160.04031	100.0
161.04384	1.1
162.05597	26.9
163.05943	0.2
166.82419	0.2
178.05092	6.9
179.30873	0.2
188.03482	1.9
206.04593	15.3
222.04074	3.6
238.83344	0.2
333.09766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99958	0.2
57.01919	0.2
58.33387	0.2
59.01387	0.4
60.34329	0.2
62.20520	0.2
62.26763	0.2
71.01400	0.2
71.05029	0.2
75.87753	0.2
89.02442	0.2
92.12463	0.2
94.09222	0.2
94.77403	0.2
96.65160	0.2
100.65813	0.2
104.05037	1.1
117.03448	3.3
119.04996	0.4
120.04530	1.1
131.03746	0.4
132.04552	3.8
134.06129	1.0
135.04526	4.9
137.00726	0.3
144.04559	0.4
146.08238	0.9
147.03278	2.9
159.03288	0.4
160.04041	100.0
161.04382	0.9
162.05606	31.0
164.05995	0.2
165.00214	0.8
167.01698	0.3
178.05089	7.5
188.03529	1.8
192.99643	3.5
206.04601	17.1
222.04071	4.2
277.12341	0.5
280.40552	0.2
285.04401	2.4
400.79877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50273	0.3
53.89088	0.3
54.82687	0.4
59.01373	0.5
69.03465	1.8
80.90659	0.3
84.73009	0.3
87.66905	0.3
89.03981	1.9
92.12406	0.8
107.05027	0.7
113.02477	0.4
117.03461	9.4
121.02962	0.8
127.29980	0.4
132.02153	3.3
133.02956	22.4
134.03740	100.0
135.04526	34.5
135.05583	0.9
137.02415	2.7
139.03932	0.5
147.04510	0.8
148.05319	0.5
149.06110	7.6
159.04524	1.6
160.01675	8.3
161.02448	40.8
161.06058	3.8
173.06116	0.5
175.04012	8.7
178.02699	1.7
179.03526	9.8
193.05066	40.3
205.05009	0.4
235.06134	7.7
235.08295	0.6
249.07707	0.5
252.06488	0.6
253.07199	19.6
267.08774	0.9
291.80881	0.4
429.11948	61.5
430.12357	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
61.27732	0.3
66.55907	0.3
79.02319	0.3
87.00858	0.3
89.03917	0.3
95.05008	0.4
105.03463	2.5
119.05020	14.6
132.02191	2.3
133.02951	100.0
134.03325	1.9
145.02867	0.5
148.04086	1.2
175.02763	3.0
176.03564	1.9
177.01962	0.5
216.10324	2.3
230.08267	1.7
231.11377	0.6
247.10893	7.7
253.08833	0.3
259.10849	3.7
273.08817	7.1
275.73929	0.4
281.18237	0.3
356.32227	0.3
393.14603	21.0
394.14923	1.6
411.19086	0.4
429.21198	1.2
452.82254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02306	0.2
59.01112	0.3
59.01393	7.4
61.09446	0.2
61.98836	0.4
71.01389	5.7
72.99306	1.6
73.02941	1.3
83.01386	0.5
84.66143	0.2
85.02962	2.0
87.00867	0.4
87.28385	0.3
89.02440	2.9
93.03458	2.9
96.96017	0.4
99.00902	0.2
101.02438	2.9
107.05058	1.8
113.02448	2.0
117.03461	28.9
119.03529	0.9
119.05019	16.0
121.02973	0.3
121.05050	2.1
123.04467	0.4
125.02444	0.2
133.06587	0.6
137.02438	3.5
145.02954	100.0
146.03340	1.2
153.05510	0.3
160.01630	0.3
161.06076	1.1
163.04007	19.0
175.04080	0.4
205.05133	1.1
235.06271	0.3
265.07208	0.4
307.08295	0.3
339.95316	0.2
424.83597	0.3
429.14032	37.3
431.12045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03746	0.2
59.01387	22.6
61.98830	0.3
73.02959	0.6
81.10172	0.3
84.27206	0.3
90.07613	0.3
99.00882	1.2
99.92574	13.1
116.92854	100.0
117.01939	0.5
117.92893	0.5
121.43378	0.3
258.05096	0.6
295.22818	1.6
311.22339	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	429.195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82515	0.1
59.01386	0.1
71.01375	0.4
73.02931	0.5
84.93865	0.1
87.88025	0.1
92.12387	0.1
99.00882	0.2
99.92576	5.2
100.93356	8.9
109.06571	0.1
113.92608	0.2
115.92072	100.0
116.92085	0.9
116.92847	6.4
117.92484	0.3
130.08701	0.1
132.92372	1.0
142.94455	0.2
148.06180	0.1
155.95186	0.2
167.21684	0.1
172.95482	3.2
204.88019	0.1
255.23380	1.1
279.23383	0.6
355.15839	0.6
356.16812	0.1
357.01288	0.1
371.15070	0.1
381.17447	0.9
385.31033	0.2
411.18387	0.1
429.19522	5.1
429.29578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91980	3.4
54.82090	4.5
59.01385	19.5
61.98835	33.4
69.32378	5.2
71.81165	4.0
94.92513	5.7
96.96004	22.3
96.96928	5.4
116.97291	8.0
122.81499	4.0
149.06067	5.1
171.10349	5.8
211.13458	5.8
293.21231	16.3
298.10956	4.1
308.39090	4.2
311.22250	29.2
315.19379	6.6
319.80148	4.9
333.20877	34.7
369.18167	100.0
439.41910	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	429.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82267	1.4
55.77929	1.4
58.59153	1.4
59.01387	58.8
61.98539	2.3
61.98835	42.7
66.51904	1.4
66.74968	1.6
75.00866	3.2
75.71148	1.5
92.24310	1.6
141.01704	14.7
163.11313	1.7
265.21744	100.0
265.24557	3.6
266.22079	7.8
296.32214	1.8
347.22107	53.6
348.22195	2.3
426.54578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86841	0.2
59.01385	100.0
60.01718	0.2
61.98836	0.3
71.58276	0.2
76.57274	0.2
85.01124	0.2
101.29035	0.2
151.07738	0.2
162.67851	0.2
171.41547	0.2
196.77786	0.2
223.63095	0.2
252.69862	0.2
295.22812	0.3
334.45737	0.2
341.33691	0.2
403.09677	0.2
454.20358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82954	0.2
59.01386	100.0
60.01720	0.5
62.48871	0.2
64.34627	0.2
66.52901	0.2
73.26482	0.2
79.29586	0.2
104.94913	0.2
154.35220	0.2
159.43108	0.2
315.19208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66210	0.2
56.84688	0.2
59.01387	100.0
60.01711	0.3
60.44753	0.2
60.65759	0.3
60.93856	0.2
61.98839	0.5
63.79648	0.2
68.99575	0.6
89.23407	0.3
91.04000	1.2
92.12374	0.5
112.98594	0.6
116.92882	0.3
133.19965	0.3
136.17947	0.2
195.13966	1.2
206.61302	0.2
250.45885	0.3
277.21741	1.2
295.22800	12.4
446.40369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71359	0.2
53.42764	0.2
56.45502	0.2
59.01387	100.0
59.06954	0.2
59.21913	0.2
61.98832	0.9
63.32762	0.2
64.81017	0.2
68.15929	0.2
81.43542	0.2
91.04021	1.3
116.31766	0.2
116.92897	0.3
118.04270	0.2
136.37914	0.2
137.81592	0.3
171.10350	0.3
195.13882	0.8
277.21887	1.2
295.22794	9.5
295.25949	0.4
296.23059	0.3
317.36313	0.2
338.10635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01719	0.2
61.98846	0.3
92.11774	0.3
99.92555	0.2
102.67801	0.2
116.92874	2.0
118.71149	0.2
135.61781	0.2
171.10330	1.4
277.21661	1.9
285.71115	0.3
295.22778	7.3
295.25885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65571	0.2
54.82430	0.3
59.01381	0.5
71.34797	0.2
72.99320	1.3
73.02956	0.7
74.02470	0.4
75.00877	100.0
76.01215	0.3
84.59795	0.3
92.12356	0.7
109.02498	0.3
153.88438	0.3
170.41458	0.3
170.50134	0.3
178.79559	0.3
189.93077	0.3
274.76178	0.3
421.47018	0.3
437.89279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17268	0.4
57.27903	0.5
59.01375	2.8
61.98833	100.0
63.85108	0.5
75.00858	1.3
80.57589	0.6
86.36640	0.6
86.66875	0.5
101.73959	0.5
110.31796	0.4
113.23625	0.5
116.92855	0.9
175.05167	0.5
192.13635	0.5
227.20268	0.8
265.21811	0.6
360.79602	0.6
387.00406	0.6
429.30063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03473	0.8
58.00601	2.0
59.01387	82.0
60.99305	0.8
71.00986	1.6
71.01382	50.3
72.99277	2.8
73.02946	1.0
74.49222	0.8
83.01374	1.1
85.02520	0.8
85.02962	7.1
87.00869	4.1
88.00397	0.8
88.04042	28.0
88.98804	7.5
89.02448	77.5
95.01394	1.9
101.02438	25.1
112.42716	0.8
113.02457	21.5
114.27981	1.1
119.03492	23.0
131.03500	1.8
143.03490	1.9
149.04594	1.8
161.04575	5.3
179.05591	19.8
189.74277	0.9
195.89888	0.9
196.44283	0.8
205.54648	0.9
281.24255	1.0
341.10910	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	430.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45108	1.3
50.68953	1.3
59.01374	2.1
61.98824	2.4
64.63643	1.6
73.98322	5.9
74.00678	2.7
103.31960	1.6
105.49268	1.5
109.02914	3.9
125.09718	11.8
135.04088	2.6
137.79182	1.8
145.06921	11.4
155.14349	2.5
160.05276	3.3
171.10298	3.7
182.62662	1.7
193.05075	3.0
195.38957	1.8
196.13347	1.8
199.13394	2.3
210.14980	7.1
221.52362	1.8
222.14948	6.9
226.14528	23.7
234.14890	2.6
240.16069	100.0
252.16077	25.1
267.06644	9.0
282.09045	3.8
297.11359	6.4
307.22922	2.1
316.22723	7.2
327.12378	7.7
334.20377	3.2
334.23932	55.3
352.24954	20.1
371.11154	2.5
386.23846	8.3
430.22678	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87917	1.2
59.01385	2.1
61.74487	1.2
61.98835	2.8
64.34069	1.6
68.38015	1.1
68.83804	1.2
70.20071	1.1
72.43426	1.2
73.98312	7.4
90.84064	1.3
120.01244	16.4
124.07654	1.4
125.09689	10.8
129.07491	1.6
134.03801	1.7
145.06958	11.6
154.06970	1.4
171.10226	3.2
180.14020	2.2
187.35109	1.4
196.13596	1.4
199.13411	2.0
205.97626	1.5
209.11880	2.0
210.14996	6.4
217.08916	1.6
222.14998	6.9
226.14542	25.0
234.15001	2.1
240.16063	100.0
252.16054	25.1
291.19659	3.1
307.51382	1.4
309.20682	10.6
316.22791	6.6
334.23926	61.0
335.24078	2.5
352.24915	16.0
386.23657	9.9
430.22656	82.5
431.22952	2.9
433.47934	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	430.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	0.5
61.98808	0.4
63.07738	0.3
63.39829	0.3
64.42216	0.3
98.37063	0.3
115.92030	0.4
116.92841	0.7
120.72622	0.3
128.10796	0.5
130.08727	100.0
140.10860	0.7
145.53940	0.3
148.91682	0.3
350.34250	4.6
388.75021	0.4
394.33286	71.8
395.33643	1.4
449.31424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.7
59.01393	5.8
61.98842	100.0
63.05565	0.3
71.01382	1.8
71.54358	0.4
75.17352	0.3
85.02952	0.5
88.98804	2.4
89.02481	0.7
92.92857	0.3
93.03479	0.3
99.04538	2.9
101.02435	3.2
101.79180	0.3
106.64381	0.4
113.02447	0.6
119.05009	0.5
120.04498	1.5
125.02422	0.8
134.06146	1.6
137.02402	0.7
143.03520	0.5
144.04550	2.0
146.06133	2.3
147.03212	4.1
147.06453	0.6
160.04041	11.9
161.04486	1.5
162.05605	96.7
163.05984	0.8
172.03998	0.8
173.04408	0.4
176.03534	0.7
188.03529	6.7
206.04597	63.4
251.11366	2.3
293.12384	0.9
368.09869	48.1
369.10141	0.6
395.15463	2.4
455.48657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20594	0.2
59.01377	1.4
60.99012	0.6
60.99314	14.7
71.01377	0.6
88.98796	100.0
89.02430	10.8
113.02460	0.4
141.78433	0.3
143.75447	0.3
179.05656	0.4
313.46909	0.3
341.07291	0.3
341.10751	2.3
342.11459	0.5
393.35916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59259	0.2
52.66719	0.2
55.01902	0.2
59.01380	1.3
61.98828	3.3
64.31821	0.2
67.71836	0.2
71.01375	1.0
73.02927	0.5
84.53301	0.3
85.02979	0.4
88.98827	0.6
89.02470	0.6
93.03454	85.7
94.03793	0.5
99.00907	0.6
99.26040	0.3
101.02456	0.9
119.24215	0.3
137.02435	100.0
138.02843	1.7
161.04640	0.3
162.05634	0.5
176.70422	0.2
179.03467	0.4
191.05658	0.5
206.04562	0.9
220.17613	0.2
255.97240	0.3
258.47699	0.2
299.07666	2.4
311.07864	0.3
314.94162	0.3
431.11935	24.2
432.12250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.5
60.99306	2.1
61.01696	0.3
71.01389	7.2
72.99315	0.4
73.02943	1.9
75.01574	0.4
85.02947	0.6
87.00901	0.4
88.04047	0.7
88.98805	15.8
89.02444	100.0
90.02800	0.5
93.03464	0.6
101.02448	3.6
113.02406	2.8
115.00384	2.1
117.01935	0.8
119.03477	2.4
125.19728	0.3
131.03539	0.3
133.01418	3.4
137.02451	0.5
143.03444	0.3
161.04613	0.7
179.05609	3.1
239.49934	0.3
251.07671	0.8
341.10910	15.6
342.11310	1.3
390.77545	0.3
410.05585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03440	3.5
59.01382	25.3
61.98833	26.9
62.60509	0.6
66.39489	0.6
69.03442	0.9
71.01380	15.6
72.99282	0.7
73.02939	7.2
75.17170	0.6
81.03480	0.7
83.01369	2.9
85.02959	8.2
88.98788	4.3
89.02432	8.5
95.01362	1.5
96.95989	1.4
99.04500	1.3
101.02425	10.3
107.04999	0.7
108.02133	1.2
109.02954	0.7
109.06562	2.8
111.45758	0.7
113.02472	4.8
116.92809	1.1
119.03470	2.8
119.04958	0.7
121.56803	0.7
122.03728	1.5
124.05292	4.4
125.06038	2.4
135.04517	0.8
136.05241	0.8
137.06091	2.7
138.03249	1.0
138.06856	8.3
139.07657	17.8
149.09718	14.1
151.07626	15.2
161.06064	1.1
162.05550	9.5
164.08420	5.4
165.09177	4.1
177.09166	7.1
189.09198	7.8
206.04494	7.3
207.10258	24.3
221.08008	0.8
306.07785	1.3
368.09848	3.5
375.96564	0.7
395.15945	0.7
431.15598	100.0
432.15918	2.9
454.88000	0.8
456.39575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01394	34.7
61.98835	15.7
71.01393	20.9
72.99329	2.1
73.02930	3.7
85.02937	10.5
85.45827	1.7
88.98787	7.5
89.02422	11.3
93.03431	4.1
96.96021	6.2
101.02420	10.6
109.02961	3.2
113.02419	4.4
119.03532	2.6
124.05254	2.6
125.06126	2.3
134.65509	1.8
137.02458	14.7
137.06010	2.8
138.06837	9.9
139.07663	20.8
149.09692	14.1
151.07666	16.7
159.08138	2.0
162.05676	3.1
163.13966	1.8
164.08372	4.4
165.09178	2.3
177.09244	8.2
189.09200	4.4
206.04645	2.5
207.10303	23.3
214.79617	1.7
215.90475	2.1
407.01495	2.0
431.15604	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34660	0.1
58.70317	0.1
59.01384	100.0
60.01724	0.2
70.54339	0.1
71.01382	0.3
72.66145	0.1
85.40730	0.1
92.11884	0.3
92.12373	0.2
96.43575	0.2
101.02463	0.3
104.70299	0.2
110.53149	0.1
146.43611	0.2
147.11887	0.2
209.11899	0.3
278.97253	0.2
309.77542	0.2
371.17480	0.8
431.19183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2205
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.10078	0.3
54.82376	0.2
59.01381	0.4
65.24335	0.2
70.18185	0.3
76.57030	0.3
78.95901	59.3
96.96951	8.0
150.97997	2.3
152.99590	100.0
153.97624	0.3
171.00595	3.8
277.21664	0.7
374.42426	0.3
394.62277	0.3
431.22052	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	431.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	3.0
59.01391	67.3
60.11856	1.7
61.98837	34.8
78.95895	8.5
79.10127	1.5
82.95416	8.3
84.30922	1.6
87.04487	6.5
96.96007	50.2
96.96971	3.2
107.83025	1.7
109.46709	1.9
111.35374	1.6
135.06645	11.3
152.99553	2.0
165.47209	1.9
171.10359	2.3
195.13887	2.3
197.50192	1.8
205.16010	3.2
234.74571	1.8
276.81232	1.9
277.18127	11.0
295.22699	8.3
295.45914	1.8
371.17416	8.4
395.24454	100.0
431.21774	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	431.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79137	0.2
59.01385	100.0
61.29198	0.2
61.98842	2.4
62.51341	0.2
63.02372	0.2
66.57367	0.3
69.89339	0.2
73.38036	0.2
74.02508	0.4
78.95899	1.2
87.44193	0.3
116.92864	0.7
118.65453	0.3
147.62810	0.3
152.99638	0.6
156.08679	0.3
297.24655	0.5
326.56750	0.3
331.63168	0.3
336.93689	0.3
387.83231	0.3
391.20255	0.3
391.50183	0.3
392.85226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81638	0.2
59.01389	100.0
65.55205	0.2
78.95902	0.4
82.95444	0.4
88.04073	0.2
124.99924	0.2
149.37332	0.2
152.99690	0.2
167.42342	0.2
278.05182	0.2
377.75677	0.2
413.21301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20336	0.2
56.81104	0.2
59.01382	0.3
59.81868	0.2
61.98833	100.0
66.67126	0.2
81.76687	0.2
91.73777	0.2
107.48646	0.2
116.92857	0.5
119.62743	0.2
130.08734	0.8
138.89236	0.2
150.30008	0.2
275.23718	0.3
279.23508	0.3
317.74481	0.2
327.34964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79251	0.3
59.01162	0.4
59.01387	7.0
61.98547	0.4
61.98836	6.9
71.01369	2.3
72.99300	4.6
75.72710	0.4
85.02927	0.7
89.02415	2.3
92.79279	0.3
96.96001	0.5
97.93916	0.4
101.02435	0.6
105.02185	0.8
113.02496	1.4
119.03468	0.5
120.00900	0.4
121.01677	2.4
122.02486	3.3
123.03284	0.6
127.23502	0.5
133.01723	2.7
133.14572	0.4
136.00441	0.5
138.05565	0.6
143.04604	0.4
146.69215	0.5
148.03964	1.6
149.01181	100.0
150.01538	0.9
152.03561	0.5
160.79420	0.4
162.05618	0.4
164.03531	41.4
165.03908	0.4
192.03021	5.7
210.04114	2.1
239.41763	0.4
372.09299	2.9
387.72324	0.4
424.18927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57399	0.5
53.35066	0.5
53.66382	0.5
54.82967	0.6
55.80695	0.5
59.01389	4.7
60.14171	0.6
61.98829	2.8
78.95926	0.6
97.30725	0.5
120.01243	100.0
125.84410	0.6
152.99590	1.2
168.10091	0.6
177.12865	0.9
224.16618	0.9
230.42313	0.7
245.00931	0.6
249.22362	1.0
254.17570	1.3
293.21265	29.4
311.22324	62.8
312.22653	1.5
372.27655	5.3
377.40814	0.6
419.28659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22892	0.1
55.21697	0.2
59.01388	1.9
59.51766	0.2
61.26375	0.2
61.98833	100.0
67.30674	0.2
70.72346	0.2
71.92131	0.1
76.02853	0.2
77.80028	0.2
78.29410	0.2
78.95898	10.2
92.83539	0.2
96.96956	0.9
138.32480	0.2
150.98129	0.2
152.99588	11.3
153.99922	1.8
171.00813	0.2
173.44835	0.2
190.98746	0.2
265.21893	0.4
298.83511	0.2
432.22379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09030	0.2
59.01389	2.3
60.01728	0.2
61.98833	100.0
64.07623	0.2
75.47523	0.2
78.95898	16.2
84.82538	0.2
96.96944	1.5
101.62944	0.2
116.92889	0.8
126.29339	0.2
129.36203	0.2
148.31934	0.2
150.98045	0.4
152.99585	19.5
153.99928	2.9
171.00684	0.4
212.11150	0.2
271.22714	0.3
314.24298	0.3
338.22089	0.4
431.21768	0.3
432.22284	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	432.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.9
61.98830	3.0
62.46592	0.3
71.01372	0.5
78.95898	6.5
80.91673	2.0
88.04034	100.0
116.92818	0.7
134.04726	1.7
148.53738	0.4
152.99606	8.5
163.11313	0.5
166.09253	0.4
166.37260	0.4
170.00246	0.4
241.83983	0.4
283.12009	0.4
297.24319	0.6
350.27036	41.4
351.27536	1.7
432.27301	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	433.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51651	0.6
57.03443	1.0
59.01381	19.4
61.98825	3.7
68.99812	1.0
71.01382	13.8
72.99321	6.3
72.99641	0.8
75.00861	15.4
78.95914	1.1
83.01434	0.9
83.94003	0.8
84.02126	0.9
85.02943	18.0
87.00864	5.8
89.02420	4.9
91.49625	0.9
95.01366	2.1
96.96037	7.5
99.00871	11.6
101.06069	100.0
113.02438	15.1
115.00335	1.0
117.00513	1.1
117.01895	3.9
121.02908	0.8
129.01935	1.2
145.02983	0.9
172.03993	0.8
174.59937	0.9
175.02530	1.1
231.05066	1.1
249.06149	26.1
267.07254	1.2
289.05200	1.5
308.29153	0.9
351.12997	82.1
352.13177	1.5
373.10965	9.9
433.12747	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	433.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
56.83880	0.5
59.01105	1.0
59.01388	22.5
61.98839	1.0
64.11688	0.7
67.01905	1.2
68.99802	0.7
71.01379	8.3
72.99309	0.7
73.02939	0.9
83.01380	2.8
85.02961	1.1
88.52755	0.6
88.98828	0.7
89.02432	8.8
93.03462	1.2
95.01381	22.7
97.02928	0.7
99.00845	0.8
101.02431	4.4
101.03544	1.3
107.05009	0.7
109.02961	2.9
111.00864	4.4
112.98788	0.9
113.02454	3.3
119.03489	1.6
119.05045	0.8
121.02940	3.1
123.00879	16.9
123.04517	1.1
124.01673	7.9
125.02416	4.4
127.00386	4.8
130.08710	1.1
135.04485	2.7
136.98790	3.9
137.02437	4.3
138.03227	4.2
139.00362	16.5
139.03990	6.9
140.01138	1.4
141.01895	0.7
145.02965	3.1
147.04518	3.6
148.01653	0.6
149.02403	1.4
151.00371	2.4
151.04007	1.0
152.01147	4.7
153.01930	4.4
153.05556	1.6
154.02725	1.4
158.33223	0.7
160.01622	0.9
161.02475	2.6
162.03215	6.7
163.03981	4.0
164.07170	0.8
166.02719	8.5
167.03474	4.0
168.04257	0.9
174.03226	0.8
175.04079	4.5
176.01080	2.3
176.04762	1.1
177.01938	7.2
177.05576	6.2
178.02693	14.4
179.03490	1.6
181.05049	7.8
188.01260	0.8
189.01912	3.8
189.05592	0.9
190.02754	2.5
191.03496	8.1
191.07065	0.8
192.04242	7.1
193.05061	24.0
200.14044	0.9
203.03487	6.2
204.04317	4.2
205.05075	3.1
207.06618	9.4
211.13498	1.1
218.05823	5.7
219.03070	1.2
219.06479	2.5
221.04611	1.3
223.06143	1.0
234.05264	0.8
235.05975	0.8
236.03320	0.9
249.07799	0.7
284.06995	0.8
284.53415	0.7
299.09271	1.1
311.05887	0.7
323.05472	0.9
325.03635	0.9
338.08093	1.0
343.08221	8.3
355.08304	3.1
358.06778	1.0
358.10651	14.4
370.10965	0.7
373.09229	4.2
373.12982	39.9
373.18655	14.7
374.13342	0.7
375.10495	1.1
385.09271	2.7
385.13446	1.0
387.10574	1.0
400.11774	0.9
403.09381	14.1
403.14154	12.6
417.12259	1.2
418.12747	18.4
433.15097	100.0
433.20523	5.3
434.15460	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	433.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96421	0.2
63.84119	0.2
78.95907	63.9
89.86964	0.3
90.76585	0.2
96.96960	8.5
134.46254	0.3
150.98001	2.6
152.99586	100.0
171.00627	4.0
199.04308	0.3
279.23279	1.1
433.18130	0.4
433.23575	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	433.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73143	0.2
61.98834	2.8
78.95903	58.6
96.96959	6.9
113.05401	0.2
125.63672	0.2
150.98068	2.5
152.99594	100.0
153.99898	0.3
171.00627	3.3
212.95479	0.2
241.18054	0.2
265.21686	0.5
267.47290	0.2
279.23352	1.1
433.23651	7.6
434.23929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74337	0.2
54.31010	0.2
58.68118	0.2
63.99799	0.2
72.98676	0.2
75.62347	0.3
78.95902	78.6
92.12414	0.6
93.59124	0.3
96.96959	7.8
135.72189	0.3
137.67107	0.3
150.98102	2.1
152.99591	100.0
154.51627	0.3
171.00659	2.3
233.82236	0.3
279.23331	2.1
296.41983	0.3
310.44504	0.4
433.23621	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	434.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26876	0.2
52.08102	0.2
54.04956	0.2
59.01387	0.7
61.17440	0.2
61.98834	1.9
65.33125	0.3
71.01384	0.3
72.19843	0.3
76.56640	0.2
78.95898	7.3
79.95725	1.5
83.93627	0.2
85.02953	0.4
96.95998	100.0
96.96908	12.1
101.06062	2.0
114.37471	0.2
119.07244	0.3
120.99604	0.4
130.10442	0.2
132.73573	0.3
134.03613	0.3
135.59187	0.2
146.88066	0.2
202.32756	0.3
212.01219	0.3
266.09366	0.3
311.51654	0.3
351.13120	0.6
352.13312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11627	0.1
59.01385	0.1
61.98835	0.2
78.95471	0.2
78.95899	4.0
79.95738	1.4
79.96125	0.1
82.95449	0.1
96.96006	100.0
96.96901	7.7
138.35280	0.1
187.92763	0.2
234.22025	0.1
256.41089	0.2
280.34354	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	434.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47676	0.1
57.76846	0.1
61.98837	100.0
63.17611	0.1
74.87857	0.1
78.95938	0.2
92.11662	0.3
109.02969	0.6
110.03268	0.2
134.03058	0.1
152.99619	0.5
153.01970	0.2
175.16940	0.1
256.23538	0.1
294.47440	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	434.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82471	0.2
59.01394	0.8
61.98841	100.0
63.53585	0.1
71.01393	0.3
73.02932	0.2
79.34857	0.1
100.64175	0.2
119.05042	0.3
155.70662	0.2
163.04018	0.4
167.10767	0.2
399.11008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27585	0.1
59.01386	1.1
61.01831	0.2
61.98837	100.0
63.33339	0.2
70.05304	0.1
86.07425	0.2
95.47483	0.2
112.75872	0.1
113.69911	0.1
117.03503	0.2
118.37404	0.1
128.92206	0.2
145.02997	1.2
146.03348	0.3
246.81186	0.1
398.15799	0.3
436.62076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.08
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40413	0.1
54.82442	0.2
59.01383	9.2
59.58063	0.2
61.98798	0.2
68.04723	0.1
68.28912	0.2
70.02096	0.1
71.01389	1.6
73.02947	0.4
78.95900	4.3
79.95744	1.3
82.39735	0.2
83.01394	0.3
85.02948	0.8
89.02426	0.6
89.87737	0.2
96.96001	100.0
96.96887	5.4
97.95969	0.2
101.02427	1.6
113.02424	0.4
113.92529	0.2
114.93396	1.2
115.92052	0.3
116.92850	1.3
121.02935	1.3
156.99037	0.2
161.04588	1.0
204.70903	0.2
234.44862	0.2
251.11345	2.3
293.12479	3.5
300.59097	0.1
354.73212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82259	0.6
59.01370	2.7
61.98823	1.1
71.01353	0.8
73.02886	0.7
89.02413	0.6
93.03462	0.7
96.96022	0.6
102.62894	0.7
119.05025	1.4
128.03503	0.7
145.02969	1.2
153.02014	1.1
162.18765	0.7
165.01878	1.5
180.04309	1.1
195.06587	0.8
202.18520	0.6
277.03723	1.2
305.12866	1.1
307.10669	0.8
321.12457	3.7
331.10672	0.8
333.12448	2.8
348.11508	0.7
349.08536	0.7
349.11932	20.3
359.10590	4.5
360.11020	6.3
361.11691	0.7
375.09818	1.0
376.10617	7.2
377.11447	59.9
378.11496	1.2
388.10681	1.1
392.13837	44.1
404.10135	14.5
405.10904	12.5
414.45175	0.7
419.12537	16.6
420.07910	1.4
420.13315	29.6
435.15625	100.0
436.15936	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62997	0.2
63.43961	0.2
65.55429	0.2
71.98261	0.2
72.97313	0.2
78.95898	62.0
96.96952	8.7
127.94051	0.3
136.83524	0.3
150.98090	1.9
152.99583	100.0
171.00636	3.5
259.32025	0.3
267.23328	1.7
276.70178	0.3
281.24799	1.8
435.25275	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	435.252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66376	0.2
68.48814	0.2
78.95902	67.4
79.79241	0.2
92.22981	0.2
92.65445	0.3
96.96955	9.5
100.88190	0.2
101.10981	0.2
104.16950	0.2
116.09104	0.3
150.98055	2.5
152.99590	100.0
160.58932	0.2
171.00598	3.1
210.33913	0.3
263.55917	0.3
281.24823	2.0
290.39954	0.2
435.25174	10.5
449.15274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53824	0.5
59.01384	1.1
61.98843	100.0
66.05506	0.5
85.96892	0.5
89.47354	0.5
119.05029	9.1
135.04517	3.4
145.02972	0.9
152.99571	2.3
161.17157	0.5
163.04012	10.4
179.03625	1.0
210.51741	0.6
271.18701	0.7
399.10876	4.7
400.11307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86835	0.2
59.01381	0.6
61.98833	100.0
62.67553	0.3
62.84865	0.3
62.97399	0.2
77.02798	0.3
78.95901	1.4
86.76067	0.3
88.32821	0.3
89.02514	0.3
101.06087	1.4
101.35124	0.3
115.11090	0.3
133.02905	0.3
152.99625	0.5
158.06387	0.3
161.02510	1.5
177.16368	0.3
178.23639	0.3
179.03564	0.4
345.42325	0.3
351.39862	0.3
416.61020	0.3
435.18829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57723	0.1
59.01384	0.6
61.98833	100.0
67.15638	0.1
68.48422	0.1
71.01376	0.1
74.12767	0.1
82.95387	0.1
96.33949	0.1
111.26261	0.1
119.05029	0.5
126.24253	0.1
137.95107	0.1
227.38152	0.1
236.08070	0.1
258.18497	0.1
295.83948	0.1
378.11789	0.3
393.13965	0.2
420.12982	0.2
436.16071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68144	0.4
55.86047	0.3
86.13305	0.4
93.03482	0.5
117.03468	3.2
119.05015	100.0
132.05832	0.9
145.02939	15.6
226.50902	0.4
248.17888	0.5
273.16110	2.6
290.18738	18.4
316.16656	16.2
316.20181	0.9
400.80811	0.5
436.22424	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35495	0.8
57.97562	1.3
59.01379	2.3
61.98825	1.5
65.43466	0.9
67.99251	0.9
71.37667	0.9
76.57712	1.2
78.95894	9.0
88.36660	0.9
92.11780	1.4
114.09256	2.6
116.07160	100.0
116.92879	1.1
135.33643	1.0
152.99606	10.4
217.08234	1.2
230.67566	1.1
257.32431	1.1
278.87643	1.1
334.31436	1.4
378.30197	33.3
436.26038	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01720	0.7
60.69078	0.3
61.96746	0.3
61.98833	3.9
64.33870	0.3
70.60464	0.3
75.25521	0.3
80.96542	0.4
82.95416	2.2
86.98625	0.3
137.26166	0.3
196.54968	0.4
249.68295	0.3
254.65733	0.3
332.28528	0.4
368.48187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25447	2.9
59.01378	6.7
61.98538	5.6
61.98835	100.0
63.44390	3.4
68.91954	4.1
71.01357	3.6
74.16263	3.7
76.83376	3.3
101.96220	3.7
103.45856	3.3
103.89073	3.2
109.59760	3.3
121.39865	3.5
151.04059	3.5
202.93852	3.8
210.79553	3.8
262.53183	4.3
297.07581	5.7
302.81689	4.2
312.09882	7.5
357.13312	6.1
401.12372	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	437.159
Annotation	Ugonin N
Peak:m/z	Relative Intensity
52.00782	1.7
57.03446	2.8
58.68557	1.8
59.01398	15.2
59.54503	2.1
61.98827	9.9
71.01382	10.5
78.95897	4.1
82.95427	10.3
84.95124	13.9
85.02962	2.4
89.02451	4.5
96.96004	11.1
96.96968	4.0
101.02452	3.5
110.07240	4.2
113.02496	3.4
123.08137	3.1
130.76457	2.3
137.02458	3.4
141.34183	2.1
146.06157	3.9
151.07707	3.0
154.06248	3.4
161.04572	4.5
179.05763	3.8
203.10771	17.7
221.11864	45.7
401.18381	7.9
419.62939	2.5
437.15942	100.0
438.15906	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	437.1587
Annotation	Ugonin N
Peak:m/z	Relative Intensity
53.59524	4.6
59.01403	11.3
61.98835	11.5
71.01366	7.6
83.85478	4.9
84.95170	5.8
85.02160	5.0
96.96013	23.5
119.04991	6.0
142.05357	5.0
145.03004	5.8
221.31552	5.4
237.07536	9.7
246.96983	4.9
318.80975	5.7
412.47952	6.3
430.69449	5.4
437.15964	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	437.1588
Annotation	Ugonin N
Peak:m/z	Relative Intensity
57.03461	3.8
59.01382	26.3
59.01625	2.7
61.98826	19.4
65.00915	2.7
71.01381	7.4
78.95891	3.7
82.95413	7.4
84.95132	15.8
85.02956	4.3
89.02454	5.3
93.03460	17.0
96.95999	6.8
96.96954	7.2
101.02409	5.3
108.02185	4.1
110.07253	6.3
111.22125	3.0
113.02480	6.0
137.02449	7.4
146.06146	6.8
151.07654	4.2
152.01123	4.1
154.06172	12.6
161.04533	4.7
163.07745	4.1
167.03505	11.8
178.08063	4.0
203.10815	21.4
221.11902	48.8
383.17090	5.6
394.10760	3.2
401.18185	6.2
402.10971	3.6
437.15930	100.0
437.25168	12.2
454.07382	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	437.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22319	0.9
54.82274	1.0
61.16986	1.1
61.98832	5.0
117.03397	2.2
119.71516	1.1
132.02092	2.2
133.02956	5.1
134.03731	100.0
135.04549	9.2
148.05275	6.7
149.06075	51.0
159.49644	1.2
160.01649	13.0
161.02438	12.6
162.03224	2.2
175.04031	11.8
175.05333	1.2
176.03519	1.8
177.04344	5.2
190.05042	2.5
192.06694	5.7
201.07997	1.8
228.06726	9.8
229.07446	52.1
230.08105	2.8
244.09795	32.2
246.10234	1.3
261.12433	2.3
261.59952	1.4
262.60352	1.3
269.68427	1.2
272.07993	5.5
274.08990	1.4
286.07471	1.2
287.10413	27.5
437.17212	47.3
437.23138	2.2
462.52368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39645	0.1
55.74451	0.1
56.50752	0.1
56.77637	0.1
58.03131	0.1
58.32000	0.1
59.01379	1.1
60.93713	0.1
61.98834	100.0
65.03465	0.1
71.45118	0.1
75.68338	0.1
92.11805	0.2
101.68340	0.2
127.66098	0.2
152.99545	0.2
273.90500	0.2
351.30936	0.2
376.25073	0.7
377.25696	0.3
437.22745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2678
Annotation	1-Stearoyl-sn-glycero-3-phosphate
Peak:m/z	Relative Intensity
54.82470	0.5
64.03003	0.6
73.35358	0.5
74.71229	0.6
78.95901	74.2
84.56012	0.6
89.15981	0.6
93.52684	0.7
96.96966	7.8
107.05376	0.7
112.28060	0.7
116.92830	1.4
150.98009	0.8
152.99579	100.0
171.00558	1.4
203.66547	0.6
283.26480	3.0
369.56494	0.6
437.26602	20.5
437.31848	1.0
438.27097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.4
59.34299	6.3
61.98828	17.0
62.74001	7.1
68.67861	8.6
82.95379	8.7
84.99099	8.1
92.11765	9.9
99.92580	100.0
115.92119	8.3
116.92847	48.6
124.07034	8.3
256.48300	9.4
397.63525	8.8
407.17255	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	438.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94965	7.3
56.22608	7.4
57.27600	7.1
61.45888	7.7
61.98824	13.6
92.12371	19.4
96.96000	100.0
109.45933	12.2
122.02472	68.4
149.31618	11.1
184.79871	8.9
186.16011	8.3
257.15259	8.5
408.61542	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19211	0.2
51.52619	0.2
52.71733	0.2
53.34815	0.3
77.56425	0.3
78.95896	30.6
79.95720	1.2
81.43661	0.2
96.95987	100.0
96.96932	59.3
283.21475	0.3
439.08542	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93456	0.2
70.38303	0.2
78.95898	19.5
79.95734	1.2
83.30628	0.2
83.46508	0.2
96.96008	100.0
96.96953	40.1
126.57276	0.2
173.33372	0.2
439.08603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00242	0.1
56.35917	0.2
57.42453	0.2
71.11427	0.1
73.91029	0.2
78.95898	47.0
81.90976	0.2
91.63877	0.2
92.12463	0.4
96.95940	2.5
96.96951	100.0
113.29557	0.1
192.73218	0.2
214.52408	0.2
439.08716	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	439.086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81473	0.2
66.46204	0.2
66.48771	0.2
78.95906	47.7
96.96049	10.1
96.96956	100.0
135.84570	0.3
156.37546	0.3
192.36250	0.3
238.16585	0.2
259.59109	0.2
299.23053	0.2
439.08658	1.7
463.79080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94901	0.3
61.28812	0.4
92.11697	0.4
105.03448	0.6
105.83276	0.4
113.23911	0.4
119.05016	0.6
132.02168	0.4
133.02937	4.0
134.03729	100.0
134.98819	0.4
135.04521	27.6
145.02957	0.3
147.03404	0.3
147.04521	1.6
148.04266	0.4
148.05290	2.6
149.06076	46.0
149.23260	0.3
150.06389	0.5
160.01627	2.2
161.02443	1.9
161.06078	2.0
162.03185	0.6
175.02686	1.4
175.04012	3.2
176.03529	1.6
178.05087	0.4
190.05032	3.4
204.06674	3.8
217.12280	0.4
218.08180	0.6
229.09776	0.5
230.08257	1.6
231.09044	1.4
232.09830	0.7
246.10052	0.4
247.10866	8.7
248.11649	3.5
263.13983	2.0
273.08829	7.4
274.09601	23.3
275.10281	1.9
289.11960	37.1
290.12198	0.5
423.15723	1.6
439.18774	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	439.1875
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
54.82399	0.5
57.82106	0.5
59.67286	0.4
67.75957	0.5
88.14667	0.5
92.11675	0.5
96.82851	0.5
105.03497	1.1
107.05006	0.7
119.05027	0.6
131.26500	0.5
131.63380	0.5
133.02916	5.9
134.03732	100.0
135.04517	31.8
147.04555	1.3
148.05321	3.1
149.06079	47.9
160.01685	2.3
161.02435	2.4
161.06117	1.1
167.43713	0.5
173.02388	0.6
175.02673	1.3
175.04012	2.5
176.03564	1.9
190.05098	3.8
204.06685	5.5
207.75694	0.7
230.08279	1.2
231.08983	1.2
247.10860	12.7
248.11630	3.9
261.12579	0.6
263.14005	2.1
263.20688	0.6
273.08829	7.5
274.09604	21.1
275.10251	1.1
289.11957	42.5
325.77948	0.6
339.76700	0.5
349.68933	0.6
423.15540	1.0
424.16339	0.7
439.18805	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44505	0.1
54.55652	0.1
56.12907	0.1
57.68021	0.1
77.20281	0.1
80.05653	0.1
80.09164	0.2
105.03468	1.2
106.04221	0.3
107.05024	0.7
116.38185	0.1
119.05003	0.9
121.02956	0.2
132.02153	0.9
133.02956	4.9
134.03737	100.0
135.04526	27.1
136.04858	0.2
137.02466	0.3
139.03978	0.3
145.02950	0.2
147.04533	1.4
148.04156	0.3
148.05304	2.8
149.06082	47.4
150.06427	0.6
160.01663	2.4
160.03990	0.3
161.02463	1.9
161.06065	1.9
162.03238	0.8
162.05571	0.3
162.06844	0.2
170.93031	0.2
171.86566	0.2
175.02699	0.9
175.04033	2.5
176.03516	2.8
178.05058	0.3
186.09245	0.2
189.04416	0.2
190.05135	2.6
194.02213	0.3
204.06677	3.9
216.06674	0.2
218.08244	0.6
219.11421	0.3
229.09799	0.2
230.08211	1.3
231.09045	2.2
232.09853	0.6
245.09380	0.2
246.11375	0.3
247.10872	10.8
248.11687	3.5
249.12506	0.6
261.12347	0.4
263.14011	1.6
273.08823	6.4
273.11786	0.2
274.09613	21.2
275.10260	1.8
287.10486	0.3
289.11963	38.8
290.12347	0.8
405.96106	0.2
423.15710	1.3
424.16519	0.8
439.18805	27.5
440.18964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.247
Annotation	25R-Spirostan-4-ene-3,6,12-trione
Peak:m/z	Relative Intensity
53.58638	20.3
61.98826	28.2
63.48927	27.3
72.47328	22.1
87.00883	43.4
88.51890	25.1
97.53313	27.3
134.03690	53.9
151.15172	25.6
181.27548	28.6
240.02303	27.8
245.02570	32.5
403.15625	27.4
411.41891	30.4
439.24658	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	439.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82013	11.5
59.01392	16.7
59.82626	11.8
61.98828	17.1
63.00495	12.3
74.37574	11.4
96.95987	22.3
128.03534	100.0
134.03758	75.0
149.75075	13.4
154.92831	13.0
189.08217	13.2
238.71767	15.6
238.88841	12.9
258.46527	16.6
289.11911	24.2
311.22400	14.7
324.17520	15.5
403.15652	15.4
403.26840	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.2
59.01390	5.3
71.01383	4.2
73.02951	4.3
81.03443	0.5
83.01386	1.2
85.02951	5.0
87.00909	0.3
89.02441	2.8
95.01369	0.3
97.02927	0.5
101.02441	15.0
113.02462	1.7
114.01295	0.4
114.97083	0.3
126.88072	0.3
131.03500	3.5
149.06059	0.3
160.84189	2.4
161.04555	12.8
161.05879	0.5
161.84241	0.3
162.83913	7.9
181.03217	0.2
259.20700	0.3
275.20172	0.3
277.21741	100.0
278.22061	1.5
439.06171	1.0
440.05725	3.2
443.79028	0.3
461.06638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40312	0.8
53.49426	0.7
53.74049	0.8
54.82718	0.9
57.19839	0.8
75.64691	0.8
80.46564	0.7
82.75521	0.7
84.00915	100.0
88.32732	0.7
111.02001	0.9
112.50611	0.8
196.09544	1.0
220.48274	0.8
230.80406	1.0
253.25488	1.2
279.26907	3.5
281.28497	38.6
311.16718	1.3
327.29068	71.7
328.29669	1.0
364.42300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
59.01381	4.2
71.01377	4.7
73.02926	2.8
85.02938	3.8
87.00833	0.6
94.54553	0.4
96.95989	0.8
101.02427	3.5
113.02431	2.0
119.05020	1.2
120.04569	0.7
132.04527	18.0
133.02960	0.5
144.04539	27.1
144.05681	0.9
145.02908	1.9
147.03273	2.6
157.04733	0.5
160.04028	74.7
161.04457	0.9
162.05595	85.3
163.05902	2.5
177.99208	0.6
178.05084	11.9
188.03522	100.0
189.03813	2.2
206.04575	14.4
237.29637	0.6
264.00900	0.9
440.15640	80.3
441.15942	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	440.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.5
57.03446	0.9
59.01391	5.0
61.98818	0.7
63.20306	0.5
64.46569	0.6
71.01385	5.8
71.02224	0.6
73.02939	1.3
83.01409	0.6
85.02958	3.6
89.02417	0.6
101.02425	3.4
112.71320	0.6
113.02436	1.4
119.05037	0.8
120.04573	0.7
124.43487	0.7
128.03548	0.6
132.04543	19.5
134.06134	0.9
144.04541	30.1
147.03252	1.3
160.04024	71.7
161.04568	0.8
162.05597	78.0
163.05936	0.9
178.05115	11.1
188.03528	100.0
206.04604	13.2
325.54977	0.7
366.60803	0.8
375.80234	0.8
397.79456	0.7
440.15671	80.6
441.16077	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	440.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52903	0.2
57.48128	0.2
59.01384	1.7
59.77719	0.3
61.98833	0.4
68.29714	0.3
78.63777	0.3
82.02943	0.4
84.04556	0.4
93.49538	0.3
96.96974	0.4
102.05599	5.6
122.25353	0.3
127.85158	0.3
128.03529	100.0
129.03851	1.7
137.58601	0.3
146.04601	5.0
166.86107	0.3
217.00298	1.1
263.97333	0.3
311.22308	3.8
395.81427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2814
Annotation	N-(alpha-Linolenoyl) Tyrosine
Peak:m/z	Relative Intensity
54.16363	1.1
58.02969	6.5
65.84253	1.1
69.37479	0.9
72.00909	9.2
74.02482	2.2
80.97896	1.1
90.58176	1.1
93.03472	9.5
106.04256	2.6
107.05038	14.5
116.26785	1.2
119.05020	24.2
136.07631	2.6
163.04033	26.7
180.06662	89.1
225.06805	1.1
316.02499	1.3
396.29065	10.6
413.99850	1.4
440.28079	100.0
441.28391	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	440.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73290	0.4
54.97041	0.4
56.19879	0.4
57.03432	0.4
81.52721	0.5
99.04501	0.6
116.92866	0.7
121.06632	0.8
135.08159	2.4
136.05261	0.7
149.06076	0.7
149.09746	0.8
150.06834	5.0
151.07614	0.8
162.05461	1.1
162.06857	48.3
163.07651	50.2
164.08389	1.1
176.08424	11.1
177.09212	26.9
178.09547	0.5
192.07924	0.6
202.10028	2.1
207.10387	0.5
220.11050	1.9
221.11870	0.6
222.12639	0.9
270.16367	0.5
288.17313	0.5
295.95782	0.5
303.19699	0.9
309.61218	0.5
440.32990	100.0
441.33389	5.6
448.92749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76197	1.7
55.01864	1.8
59.01383	31.1
61.01831	1.9
61.98819	1.9
66.43495	1.7
71.01373	20.5
74.38813	2.1
75.62930	1.7
81.45366	2.0
85.02932	3.4
87.00871	2.6
89.02445	18.9
93.03447	4.1
94.67723	1.8
101.02442	12.3
113.02423	4.5
117.03455	4.3
119.03590	5.9
119.05012	80.7
121.02940	3.1
123.04436	2.2
124.29710	1.8
132.05743	3.5
133.02902	2.8
133.05019	2.4
133.06573	26.1
135.04434	2.1
137.02469	2.1
138.19385	2.0
145.02951	60.5
147.04530	4.8
149.06024	2.5
160.03908	2.1
161.02419	2.6
161.06070	59.7
162.05585	7.8
163.04012	100.0
163.05386	3.3
164.07117	2.5
177.05551	33.4
191.10989	2.8
200.13991	2.6
205.05075	60.4
235.06090	10.5
265.07080	20.6
295.10349	74.1
405.21582	8.0
441.13885	76.4
442.14392	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1769
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
54.82878	0.4
55.01884	2.2
57.03445	1.2
58.00591	2.1
59.01387	89.1
61.98837	0.6
64.34670	0.5
71.01382	40.1
72.99297	3.0
73.02944	2.8
83.01395	3.7
85.02953	12.6
87.00879	2.7
89.02438	37.0
95.01369	4.4
95.05032	0.6
97.02934	1.1
99.00880	0.9
101.02438	24.9
109.02956	4.9
109.03562	0.6
109.06570	0.7
111.04525	0.6
113.02445	13.9
116.62412	0.6
119.03487	13.2
121.06628	0.6
122.03740	2.6
124.05296	0.7
134.03741	1.1
136.05310	1.2
137.06085	2.5
139.07654	7.4
143.03456	0.6
144.06888	0.5
148.19083	0.5
149.04558	0.9
151.07671	0.7
158.80389	0.6
160.01631	0.9
160.04068	0.5
161.04523	2.9
162.05630	1.0
179.05591	0.8
179.71532	0.5
187.11311	0.8
188.03537	2.4
189.03845	0.7
199.11324	0.7
202.10083	0.6
205.12329	6.3
217.12405	3.3
235.13475	0.8
261.11288	0.5
330.13190	11.4
331.13965	4.5
351.77414	0.5
397.18646	8.9
441.17715	100.0
442.18085	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	441.253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64048	0.9
59.01375	2.0
61.98828	1.1
64.20190	1.0
65.90073	1.1
76.77668	1.1
79.92345	1.0
101.02427	5.4
112.07607	0.9
112.65101	1.0
116.92882	1.7
150.06865	2.1
160.84276	1.6
161.04549	1.9
162.06857	40.2
163.07634	46.0
164.08017	14.1
176.08394	7.7
177.09221	26.1
178.09529	11.0
224.80252	1.1
279.23315	22.6
354.32159	1.0
378.26624	2.2
440.33026	32.4
441.33383	100.0
443.69705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.6
61.98833	100.0
96.96010	13.7
98.91714	7.0
99.92583	7.5
116.92854	37.6
135.00879	7.1
256.93488	7.4
289.36829	7.9
377.66702	7.9
387.38480	7.2
441.95798	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	441.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87425	0.8
54.82661	0.9
59.01386	100.0
61.98828	1.3
66.45896	0.9
66.94576	0.9
84.76498	0.9
88.04025	1.9
96.79515	1.1
117.03439	4.4
117.04283	1.1
121.02944	1.6
145.02960	5.3
188.23433	1.1
279.23322	1.4
297.24265	8.8
364.29132	1.2
441.26016	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	441.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.7
60.73429	0.3
71.01389	3.8
72.00900	1.7
73.02925	2.9
74.02475	29.2
81.03448	0.4
83.01390	1.8
85.02935	3.5
86.90862	0.4
88.04034	1.7
89.02416	2.9
89.04366	0.4
97.02943	0.5
101.02433	9.0
112.35026	0.5
112.57636	0.4
113.02438	0.8
116.05055	18.7
130.06578	1.0
131.03473	2.9
142.06639	4.9
157.13452	0.8
159.09268	4.1
161.04544	12.3
162.84019	0.6
169.84886	0.4
186.05481	0.5
203.08272	24.7
224.01599	0.4
242.83499	0.5
254.24817	3.4
266.24890	1.6
268.26526	2.3
269.17725	0.4
279.23282	100.0
280.23657	1.7
294.24341	6.0
312.25391	4.7
397.32187	2.9
397.37210	0.5
440.35901	0.9
441.31238	46.8
442.31476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82544	0.2
59.01385	100.0
60.83080	0.1
61.28862	0.1
61.98825	0.3
63.39178	0.2
66.72694	0.1
74.24039	0.1
101.35823	0.1
104.81297	0.1
116.92896	0.2
177.24467	0.2
268.26358	0.1
279.23428	0.2
285.59799	0.2
346.20148	0.2
399.77637	0.2
435.27252	0.2
440.68076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
60.06607	0.1
61.98831	100.0
63.77093	0.1
66.05656	0.1
68.10207	0.1
68.99578	0.3
80.45818	0.2
112.98592	0.2
116.07160	1.1
149.71948	0.1
155.07863	0.1
155.09189	0.1
163.11276	0.3
200.43936	0.2
217.16135	0.2
239.25215	0.2
337.21786	1.5
378.30289	0.6
381.28018	9.7
382.28476	0.2
429.77060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35789	0.5
52.10116	0.5
53.91344	0.4
57.17428	0.5
59.01393	4.2
69.23581	0.6
71.01371	2.9
72.00914	0.9
73.02953	4.8
73.03283	0.6
74.02478	26.0
75.21811	0.5
80.58070	0.6
83.01397	0.7
84.25603	0.6
85.02956	4.7
89.02448	2.5
101.02447	11.4
113.02451	1.0
116.05070	17.0
122.20222	0.6
130.06604	1.3
131.03514	3.1
141.60019	0.5
142.06627	4.4
144.10590	0.6
159.09288	4.2
161.04562	14.4
162.83939	1.4
198.30815	0.6
202.85231	0.6
203.08278	19.6
208.53651	0.6
254.24940	3.1
268.26620	1.1
279.23306	100.0
280.23734	5.3
280.26337	0.7
294.24399	5.6
312.25562	6.1
328.96436	0.7
397.31857	2.3
432.28378	0.6
441.31253	46.5
442.31375	1.2
454.40683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20122	0.5
59.01389	100.0
61.98822	1.0
69.93217	0.5
73.84756	0.5
75.71740	0.5
88.01406	0.6
101.02448	1.2
112.74387	0.6
116.92876	1.4
143.11923	2.4
161.04558	0.9
209.82440	0.6
279.23318	15.8
381.34851	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	442.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72147	0.1
59.23228	0.1
59.73432	0.1
61.98837	100.0
91.01877	0.2
91.09055	0.1
94.64665	0.1
106.84095	0.1
116.92872	0.8
117.92892	0.2
119.05029	1.3
122.47519	0.1
132.24649	0.1
135.00912	0.7
136.01263	0.1
153.02011	0.2
259.10876	0.2
379.16861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2968
Annotation	Yibeissine
Peak:m/z	Relative Intensity
58.02985	5.8
59.01371	1.0
60.13279	0.2
61.98825	0.4
63.80614	0.2
67.21909	0.2
72.00905	5.9
72.04530	0.2
74.02472	2.5
84.04574	0.2
89.02428	1.1
90.07919	0.3
92.11739	0.3
93.03442	6.8
102.05585	1.1
106.04230	2.6
107.05028	12.5
108.02182	0.9
117.95025	0.2
119.05021	24.9
126.47998	0.3
128.03510	1.1
134.06122	0.5
136.07675	3.6
138.03253	0.4
162.05620	0.4
163.04013	25.3
180.06668	78.2
181.07091	0.4
255.23239	0.6
259.78568	0.3
278.24908	2.2
290.24890	1.6
336.25485	1.0
337.17987	0.3
371.81802	0.3
384.27289	0.6
389.00940	0.3
398.30692	10.9
406.25928	0.4
442.29675	100.0
443.30099	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	442.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27212	0.8
55.15839	0.8
59.01374	4.5
59.12342	0.8
61.98824	1.4
65.11803	0.7
68.99584	1.1
92.12112	0.9
96.96036	0.8
99.08153	3.6
125.09739	0.9
128.03510	1.5
128.10808	1.8
130.08731	100.0
188.84595	0.8
212.20200	1.1
223.38666	0.8
226.10927	0.9
240.19753	1.7
252.23346	4.4
280.22833	1.0
299.60016	0.9
311.22650	1.0
353.19580	1.1
407.87299	0.9
442.31808	78.7
443.17776	1.3
443.31918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1343
Annotation	(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one
Peak:m/z	Relative Intensity
50.36927	0.4
54.25131	0.4
54.82925	0.4
59.01379	2.0
68.99571	46.6
69.03449	0.6
69.92715	0.4
75.69849	0.4
89.03970	2.3
95.05029	0.7
96.95995	2.0
105.03465	0.9
109.88297	0.4
112.98562	38.9
113.02423	0.7
117.03454	7.8
117.04694	0.5
119.05013	0.9
130.08797	2.3
132.02150	7.1
133.02951	13.1
134.03735	100.0
135.04582	3.3
136.01680	0.5
137.02431	2.1
139.04022	0.8
139.11270	0.9
147.04556	2.8
148.05305	1.0
149.06087	10.0
159.04527	0.5
160.01651	27.7
160.05338	0.5
161.02467	3.5
171.10400	0.5
175.03999	13.3
177.01909	1.0
178.02733	1.0
193.05061	39.8
207.06657	3.4
234.05394	2.9
235.06136	2.6
249.07695	3.6
252.06325	1.0
264.26102	0.5
267.08685	1.1
329.23233	0.6
341.10904	0.6
353.19156	6.2
371.20300	5.9
428.11322	2.0
443.13480	41.9
443.18851	4.7
444.14200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14817	0.3
56.58120	0.2
59.01381	1.3
59.13755	0.2
60.83002	0.2
61.70538	0.2
61.98833	0.6
63.20497	0.2
70.94288	0.2
71.01397	0.4
72.25727	0.2
78.05833	0.3
80.52859	0.2
84.45640	0.2
89.03960	2.6
96.00935	0.3
96.56070	0.3
96.96008	0.5
99.93424	0.2
102.58361	0.3
103.43574	0.3
105.38250	0.3
117.03448	9.1
133.02982	0.5
134.03729	100.0
135.04070	1.2
137.02391	0.4
149.06085	4.7
160.01669	1.3
175.03989	0.6
178.02760	0.5
193.05055	64.1
194.05357	1.2
207.06668	1.2
234.05502	0.3
235.09541	1.0
249.07664	1.5
281.51700	0.3
344.03116	0.3
443.13461	5.5
443.27606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03191	1.5
57.03455	33.4
58.00603	1.7
59.01384	73.8
59.90260	0.7
66.33582	0.8
71.01378	44.1
72.99296	3.7
73.02928	1.7
78.95897	3.5
80.93517	0.8
83.01423	0.9
83.60156	0.9
85.02953	4.9
87.00848	1.0
87.04483	3.3
89.02437	74.8
95.01379	3.1
96.96008	3.6
96.96994	1.4
98.95583	8.4
100.95994	1.3
101.01759	1.5
101.02431	44.2
108.11933	0.8
113.02445	20.9
119.03491	25.3
131.03473	6.8
143.03561	3.3
149.04572	2.1
161.04556	5.0
178.65721	0.9
179.05583	24.9
292.36298	0.9
294.66397	0.9
341.10901	100.0
342.11337	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	443.1924
Annotation	Ixerisoside I
Peak:m/z	Relative Intensity
50.64744	0.4
55.01889	4.2
57.03452	4.5
58.00590	2.4
59.01388	100.0
67.19872	0.7
71.01383	52.8
72.99313	3.8
73.02947	6.0
73.03277	0.6
73.77966	0.6
83.01375	5.6
83.05024	0.6
85.02955	17.3
87.00885	2.4
89.02443	38.2
95.01383	3.9
97.02941	0.7
99.00877	2.4
101.01767	1.1
101.02441	32.6
111.04505	1.4
113.02441	20.3
119.03490	19.1
121.06581	1.2
124.05372	1.0
134.03725	1.1
139.07658	2.8
143.03499	1.4
149.04639	2.3
152.49075	0.6
161.04575	6.5
171.11809	3.3
179.05669	3.3
189.12866	2.4
208.03735	0.6
219.14006	0.8
222.20500	0.6
237.14967	2.8
263.12857	2.3
281.14093	0.9
282.11310	0.7
283.95221	0.6
390.38611	0.6
399.20245	1.2
443.19339	50.1
444.19583	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	443.1927
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01876	3.3
57.03437	2.1
58.00598	1.1
59.01385	51.7
59.36869	0.5
71.01378	28.5
72.99290	1.9
73.02940	5.4
83.01395	5.0
85.02472	0.6
85.02943	11.7
87.00857	0.6
89.02441	16.5
95.01364	2.5
99.00861	2.0
101.02428	21.1
111.04443	0.5
113.02432	10.4
116.62383	0.6
119.03485	5.0
131.03471	0.6
137.02435	0.7
143.03619	0.5
161.04628	0.8
171.11789	0.5
189.12816	1.9
219.13808	0.6
237.14896	0.9
316.75223	0.5
354.38278	0.5
443.19254	100.0
444.19568	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	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22931	0.4
55.01892	3.1
57.03453	2.2
58.00586	0.7
59.01392	49.2
61.47720	0.4
61.98846	0.5
62.75854	0.4
71.00984	1.0
71.01385	26.8
71.27098	0.4
71.33586	0.4
72.99309	3.1
73.02943	5.8
73.89347	0.4
79.01196	0.5
83.01365	3.9
83.05038	0.6
85.02955	11.2
87.00867	0.9
88.98819	0.7
89.01889	0.5
89.02444	15.8
92.11745	0.4
95.01372	2.2
96.95991	0.5
99.00876	2.1
101.02438	21.3
113.02442	10.0
119.03500	5.2
123.08132	0.7
128.03529	0.6
143.04630	0.7
160.01814	0.6
161.04512	1.7
162.05618	1.0
162.51297	0.5
169.01460	0.5
189.12833	0.9
219.13951	0.8
237.14986	1.7
293.12234	0.5
443.19290	100.0
444.19574	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47816	0.2
59.01385	0.2
71.27145	0.2
74.99071	0.4
77.19426	0.2
92.12371	0.5
93.00137	0.5
102.06141	0.2
129.71394	0.3
159.08452	5.9
161.06400	1.5
195.86728	0.2
202.62920	0.3
213.72331	0.2
217.07204	1.4
261.04385	1.0
275.06024	0.8
277.07492	3.4
279.23505	0.3
281.25015	0.3
293.06918	1.0
299.84039	0.2
343.12244	1.0
345.13925	1.8
357.13867	2.9
359.15393	100.0
360.15503	1.5
377.16492	2.0
425.20126	1.2
427.21628	51.0
428.22092	0.9
443.24774	9.1
445.22375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.8
59.17801	0.3
61.98840	100.0
68.98506	0.4
72.04549	0.8
73.59508	0.4
74.02473	25.5
77.89986	0.4
96.66761	0.4
118.05104	0.6
120.18230	0.4
181.62900	0.4
290.25101	0.8
299.20239	0.4
318.24359	5.1
336.25485	10.3
348.35336	0.5
357.67816	0.4
380.28098	20.6
381.28595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91398	0.1
59.01387	100.0
68.63368	0.2
69.06132	0.1
89.06319	0.2
116.03291	0.2
151.74660	0.2
164.94522	0.2
216.58932	0.2
221.28925	0.2
239.32033	0.2
279.23297	8.1
329.97958	0.2
408.26102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88116	0.2
57.03440	0.3
59.01149	0.2
59.01393	3.7
65.09051	0.3
71.01385	3.3
72.99318	0.4
73.02943	3.3
83.01376	0.7
85.02945	4.0
87.00916	0.3
89.02438	2.2
97.02972	0.5
101.02436	8.9
111.33905	0.3
113.02403	1.6
115.92039	0.3
116.92837	1.3
131.03474	2.7
135.91125	0.3
161.03223	0.5
161.04550	10.4
162.83701	0.3
255.23244	0.3
281.24850	100.0
282.25317	2.8
443.31812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
61.98813	1.5
71.01379	1.6
81.22321	0.7
85.02919	0.8
89.02444	0.8
92.12342	2.1
101.02441	2.9
118.05077	0.7
163.06110	1.7
211.16156	0.8
234.53061	0.7
279.23282	100.0
280.23553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05582	0.3
54.91918	0.4
58.58042	0.3
59.01393	7.7
61.13938	0.4
61.98843	100.0
65.91930	0.4
77.20705	0.4
83.71146	0.4
85.30910	0.4
110.46002	0.4
116.92896	0.8
120.96523	0.4
131.58516	0.4
135.29929	0.4
141.01755	1.7
195.89618	0.5
279.23282	11.1
279.25876	0.5
280.23788	1.0
361.23630	6.2
380.32367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
76.57291	0.5
96.56314	0.5
99.55018	0.5
133.17960	0.5
140.18071	0.5
261.90225	0.6
265.49289	0.6
279.23343	1.0
281.24933	2.9
309.92752	0.6
370.09683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3125
Annotation	Imperialine beta-N-oxide
Peak:m/z	Relative Intensity
58.02979	2.9
58.03247	0.4
59.01398	0.5
61.98829	3.0
72.00909	4.5
74.02473	2.1
86.11293	0.5
89.02449	6.1
92.11684	0.5
93.03453	5.8
94.40281	0.5
98.07404	0.5
102.58748	0.5
105.82200	0.5
106.04205	2.6
107.04373	0.9
107.05035	12.1
108.02167	0.6
109.06609	0.5
111.02509	0.6
119.05017	21.8
120.05328	0.6
136.07675	3.5
151.12268	0.6
163.04004	22.9
180.06660	77.5
222.88454	0.5
238.16907	0.5
280.26489	3.9
292.26395	2.8
306.28122	0.7
326.97079	0.5
400.32211	9.6
444.31213	100.0
445.31488	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	445.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	80.8
60.64414	0.3
61.31514	0.4
71.01365	3.5
74.02469	0.6
75.00862	4.9
76.57184	0.4
85.02941	1.0
89.02451	3.6
93.23933	0.4
101.02448	1.7
103.00362	100.0
103.04002	0.8
104.03521	4.4
112.61478	0.4
113.02415	0.8
115.00339	2.0
119.03447	0.9
125.23392	0.4
133.01427	3.6
147.03040	0.4
149.04570	0.7
179.05548	0.7
265.09305	3.3
304.61304	0.5
341.10922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10447	0.2
51.10686	0.2
51.48940	0.2
51.60569	0.2
52.92411	0.2
55.01877	0.2
56.74569	0.2
59.01110	0.3
59.01385	5.8
69.98039	0.2
71.01382	3.7
72.99281	0.2
85.02935	1.6
89.02432	2.8
101.02421	3.0
105.03437	0.4
113.02442	1.8
117.03468	1.1
119.03477	1.1
121.05026	1.4
123.04512	0.2
132.02187	1.0
133.02946	34.9
134.03702	1.0
135.04521	10.1
149.02469	0.9
154.35854	0.3
157.65154	0.3
158.05963	0.3
160.04048	4.6
161.02444	100.0
162.02728	0.2
164.04784	0.3
172.96187	0.2
177.05560	0.4
178.05228	0.3
179.03491	5.8
221.04506	0.3
223.06172	0.4
251.05608	0.3
261.88153	0.3
366.30542	0.2
445.13559	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33321	0.7
53.71425	0.6
55.01869	5.1
57.03435	4.5
59.01113	1.2
59.01384	19.9
63.72704	0.7
71.01382	69.6
72.99281	0.7
73.02945	25.1
75.00868	2.7
79.14272	0.7
83.01388	10.3
84.82041	0.6
85.02944	30.9
87.00854	1.4
89.02446	11.8
95.01398	6.7
96.32586	0.9
96.95988	1.3
97.02945	1.2
99.00875	21.4
101.02433	38.7
107.05022	100.0
113.02447	31.6
118.42565	0.8
125.02377	1.4
129.01843	1.0
131.03459	1.3
143.03488	1.2
147.41475	0.8
151.03998	0.8
153.88956	0.7
159.02939	3.9
161.04547	43.4
191.05563	1.3
269.10413	5.5
401.14569	45.1
445.13541	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30875	0.2
57.87647	0.2
59.01383	100.0
64.18600	0.2
78.95892	6.0
92.11749	0.2
149.00084	9.2
205.15970	11.1
232.46571	0.2
250.92078	0.2
311.22537	0.3
349.17215	1.3
355.16800	29.8
356.17126	0.5
385.18057	12.6
389.13416	0.3
389.60590	0.2
445.20135	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67513	0.2
55.01894	0.6
57.03441	1.1
58.00600	0.9
59.01385	100.0
59.59428	0.2
60.99314	0.3
61.98831	1.2
71.01379	20.4
72.99313	1.3
73.02939	2.0
74.98834	0.2
78.95906	0.5
82.95429	0.4
83.01387	1.2
85.02949	5.2
87.00889	0.5
88.98798	3.4
89.02438	20.2
95.01397	1.7
96.96043	0.3
97.02980	0.4
99.00903	1.4
101.02435	10.9
101.03068	0.5
109.06616	0.3
112.60691	0.3
113.02442	8.1
119.03491	6.9
121.02976	0.6
123.08175	0.4
125.06040	0.3
131.03555	0.9
136.05307	0.2
138.06882	3.2
139.07684	1.2
140.50278	0.3
143.03525	1.7
143.88687	0.3
149.04579	0.4
151.07614	3.3
152.08420	5.5
152.09448	0.3
153.09207	16.2
159.03032	0.6
161.04559	8.2
161.09798	0.3
163.11398	0.4
179.05615	9.2
189.12907	0.4
190.02765	0.9
190.10088	0.4
205.05186	1.3
205.12350	6.0
212.23059	0.3
223.13426	7.4
372.29422	0.2
385.18713	12.8
385.23642	0.4
386.19223	0.4
413.04669	0.3
445.15451	0.4
445.21317	1.3
446.21442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46310	0.4
59.01383	0.5
78.95901	7.0
96.17481	0.4
110.98535	5.3
167.01158	2.1
185.02274	3.8
259.20605	0.5
277.21732	100.0
278.22122	1.8
445.23621	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	445.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97048	0.3
54.82454	0.5
57.43382	0.2
59.01385	100.0
60.36789	0.3
61.98837	1.9
65.54575	0.2
82.17305	0.3
87.68911	0.3
92.92818	0.3
125.09763	0.3
141.61633	0.3
171.10318	0.4
211.07677	1.2
220.71329	0.3
221.15509	0.4
249.22313	0.3
282.63873	0.4
290.84106	0.3
293.18036	0.6
293.21228	17.8
293.24460	0.6
295.21359	0.3
311.22308	29.9
312.22540	0.6
327.48956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37699	0.9
53.48571	0.7
59.01387	100.0
74.09200	0.8
75.44296	0.7
108.98203	0.7
142.70715	0.8
146.89589	0.7
149.13332	0.8
193.02641	0.8
228.26840	0.8
283.26349	3.1
319.37610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20698	0.1
53.34954	0.1
54.82862	0.1
56.39523	0.1
59.01388	0.2
61.42238	0.1
61.98844	100.0
69.06559	0.1
71.01389	0.4
115.00392	0.6
116.92891	0.1
117.03522	0.1
118.81914	0.1
119.05025	1.7
121.02959	1.0
122.03326	0.2
134.04694	1.4
134.05513	0.1
134.53101	0.1
145.02962	0.9
163.04004	1.6
171.10472	0.1
181.06660	0.2
182.06912	0.2
190.74242	0.1
219.06592	0.1
225.05634	0.1
227.85013	0.1
346.18842	0.1
358.10449	0.1
383.11377	2.5
446.11993	0.2
446.28281	0.1
446.74545	0.1
468.11603	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	446.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76322	0.3
54.82714	0.3
59.01389	100.0
60.01727	0.4
71.01387	1.7
76.61034	0.3
92.12400	0.7
121.01713	0.8
122.02477	5.9
123.03270	0.7
133.01697	0.8
138.05603	10.9
148.04091	2.1
149.01180	38.8
150.01964	1.4
156.23329	0.3
161.04524	0.4
164.03525	13.8
164.04758	0.5
166.05084	3.8
178.01559	1.5
179.02333	1.5
192.03073	2.6
194.04582	15.7
200.87791	0.3
224.05716	1.5
275.82852	0.4
292.83572	0.3
352.87854	0.3
356.09970	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	446.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45528	0.3
59.01382	3.1
61.98832	100.0
78.95913	1.7
94.10432	0.4
116.92865	0.6
117.88799	0.4
127.61360	0.4
150.23735	0.4
203.67186	0.4
231.13644	0.4
279.23276	12.7
337.89526	0.4
447.25381	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	446.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28791	0.1
59.01377	0.6
60.88834	0.1
61.98838	13.1
62.39916	0.2
71.16109	0.1
78.95907	0.7
89.32604	0.1
91.41055	0.1
92.02544	1.2
94.80236	0.1
107.03648	6.2
116.92845	0.3
134.04732	100.0
134.24844	0.1
135.05156	0.3
142.27707	0.1
149.00032	0.3
149.91992	0.1
168.18764	0.1
171.10298	0.2
185.11668	0.1
200.10649	0.2
293.21259	1.1
311.22321	14.1
312.22522	0.3
327.79938	0.1
402.63718	0.2
447.13367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06328	0.4
53.05597	0.5
54.01446	0.4
54.82361	0.5
55.01888	0.6
59.01376	3.3
61.98843	5.6
71.01388	7.5
73.02941	3.5
78.95894	0.7
85.02957	4.7
89.02453	1.1
91.16090	0.6
95.01327	0.7
96.95998	3.0
99.00866	3.6
99.92601	0.8
101.02424	3.1
108.02168	61.7
109.02955	19.7
113.02441	3.3
114.05588	0.7
116.92847	7.0
122.02457	5.5
135.04492	0.7
148.82236	0.7
151.04013	2.3
152.01149	100.0
152.57664	0.5
153.01973	4.4
161.04564	1.0
163.03996	2.8
165.02078	0.6
167.94382	0.6
168.91409	0.9
189.84789	0.9
209.11621	0.6
315.07428	1.1
447.11496	78.4
448.11679	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86341	0.2
59.01384	0.2
61.98831	1.8
62.27331	0.1
62.96416	1.3
64.76088	0.1
66.49194	0.1
66.50363	0.2
75.94597	0.1
78.95902	44.1
84.84352	0.2
94.92500	0.3
96.96960	3.3
99.92609	0.2
102.33473	0.2
108.54095	0.2
116.92850	3.4
149.00093	25.8
152.99536	1.4
158.92552	1.9
179.01149	3.2
198.13008	0.1
201.67361	0.2
205.15997	2.3
267.11707	0.3
279.23288	0.3
347.08289	0.3
417.12860	1.3
431.10339	3.9
447.13501	100.0
448.13632	1.4
464.10278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49316	0.2
66.86882	0.2
71.01418	0.2
73.02946	4.4
81.69865	0.2
86.62975	0.2
99.00868	3.9
99.92584	9.0
106.41640	0.2
115.92151	0.2
116.92859	100.0
117.01933	7.5
117.92884	1.1
124.20515	0.2
135.03148	0.4
160.10399	0.2
171.10278	0.2
279.23276	0.3
329.23471	1.1
350.42557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.2
61.08447	0.5
61.98545	0.7
61.98837	15.8
73.09222	0.5
73.55840	0.4
78.95904	64.6
86.16888	0.5
96.95992	2.0
96.96948	8.6
101.95408	0.5
114.97935	0.5
116.92845	1.9
129.06662	0.6
142.60396	0.5
149.00055	1.1
150.97997	1.9
152.99591	100.0
171.00645	3.7
178.56345	0.6
195.36386	0.5
224.41451	0.6
237.50525	0.5
279.23224	3.5
293.21188	0.8
309.82971	0.6
311.21951	0.6
349.48801	0.6
447.13504	6.7
447.21371	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.54899	0.2
61.98837	20.1
66.13293	0.2
71.01384	5.9
72.99313	0.5
73.02967	0.3
76.43990	0.3
78.63150	0.2
83.01415	0.3
85.02956	1.6
85.24678	0.2
87.00900	0.4
89.02439	10.7
92.11674	0.2
95.01410	0.4
100.06557	0.3
101.02441	3.3
113.02461	3.3
119.03495	3.8
131.03587	0.3
135.04692	0.3
137.02475	0.3
143.03555	0.4
149.04570	0.4
153.99155	1.1
161.04561	0.9
169.01440	3.0
179.05614	4.4
184.03760	1.9
196.75987	0.3
199.06238	1.2
205.05188	0.4
210.96118	0.3
385.11667	0.3
429.03403	0.3
447.16870	0.2
447.22406	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50162	0.4
59.01381	0.8
67.56709	0.4
78.95901	8.9
79.60663	0.4
84.58524	0.4
93.58872	0.4
110.98535	6.9
121.02924	0.6
137.62215	0.5
155.82143	0.4
164.51697	0.4
167.01186	3.8
185.02245	4.0
203.48094	0.4
279.23297	100.0
280.23715	3.8
281.24750	0.8
283.25659	0.6
437.40811	0.4
447.25214	11.4
447.31192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
60.53727	0.2
62.96445	0.2
78.95899	4.4
85.32954	0.3
92.11720	0.7
101.04635	0.3
110.98537	3.8
119.45729	0.3
167.01147	1.0
185.02206	2.6
226.15068	0.3
237.77579	0.3
279.23306	100.0
395.96414	0.3
439.47290	0.3
447.25250	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	447.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91864	0.2
74.34709	0.2
78.95903	11.0
80.03213	0.2
98.77648	0.2
106.69031	0.2
110.97829	0.5
110.98527	9.1
140.68794	0.3
152.99623	0.5
167.01160	8.5
177.96101	0.3
179.20403	0.3
185.02238	2.3
193.91727	0.3
208.65907	0.3
216.79463	0.3
261.22321	0.3
279.23315	100.0
280.23669	3.2
318.91138	0.4
435.41937	0.3
438.36392	0.3
447.25241	16.7
448.25650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09292	0.2
54.83015	0.2
59.01371	0.3
59.33644	0.2
65.19250	0.2
72.85461	0.2
78.95902	4.1
85.75729	0.2
88.75637	0.2
95.45895	0.2
109.92330	0.3
110.98531	3.9
167.01144	1.3
185.02222	2.5
211.07451	0.3
279.23300	100.0
447.25186	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	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
67.34852	0.3
70.99393	0.3
71.86044	0.3
78.95906	7.5
105.41856	0.3
110.98530	5.6
113.51220	0.4
152.99561	0.4
167.01134	2.9
170.17679	0.3
185.02226	3.5
255.23308	0.7
279.23285	100.0
280.23666	1.7
391.13681	0.4
447.25116	9.1
447.30582	0.7
453.78571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2754
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
54.52942	0.7
59.01376	1.5
61.98828	3.3
78.95893	8.5
80.70303	0.7
95.05045	1.2
104.72509	0.7
105.03453	6.4
110.98520	5.1
116.92838	1.1
132.02173	10.5
133.02945	39.7
134.03732	20.8
135.04488	6.8
137.02463	6.7
139.04030	1.7
148.05287	6.4
150.03178	1.0
160.01656	63.5
161.02440	15.7
161.06123	5.1
167.01146	2.0
175.03990	100.0
178.02684	4.4
179.03505	4.0
185.02281	1.3
188.32988	0.8
193.05106	6.3
194.02264	1.1
233.08255	1.2
238.69612	0.8
247.09784	3.1
261.11298	1.4
271.22800	17.1
275.12897	3.2
279.23291	81.4
280.23697	1.6
289.14508	3.3
303.16046	1.3
317.17657	3.7
331.19193	3.2
345.20819	8.4
347.25870	1.9
415.24875	10.3
447.27606	84.1
448.28055	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	448.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17711	0.6
57.03459	1.9
59.01112	1.1
59.01397	19.7
61.98845	100.0
68.99808	1.2
69.03460	1.1
71.01391	15.3
71.07725	0.8
72.85462	0.8
72.99312	3.8
73.02933	0.7
75.00876	10.7
83.12093	0.9
85.02956	18.9
87.00872	5.1
89.02409	6.4
89.44388	0.8
91.05525	13.3
95.01385	1.9
99.00875	5.8
100.74128	1.0
103.00380	1.1
103.31355	0.9
113.02454	20.4
117.01929	1.5
117.03419	1.8
129.01926	1.0
135.04561	6.9
162.05577	1.9
215.42383	0.9
249.06166	19.4
256.09875	1.2
267.07227	53.5
337.59091	1.2
385.11441	70.6
412.12540	0.9
447.82956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62824	0.4
54.83013	0.5
54.95772	0.5
59.01376	2.9
63.79557	0.4
71.01382	1.2
78.94541	0.4
78.95911	0.7
85.02995	0.5
89.02444	0.7
96.95982	1.9
101.02416	0.6
106.72090	0.5
108.02197	0.7
108.57127	0.5
116.92886	4.2
120.64230	0.5
122.02477	100.0
123.02857	0.6
136.04041	3.5
138.83223	0.5
277.09561	0.5
347.60577	0.5
388.12595	2.7
459.42676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87695	0.1
59.01387	1.0
60.01727	0.1
61.01811	0.1
61.44050	0.1
61.98840	100.0
78.95921	0.4
84.54972	0.1
99.78282	0.1
101.02502	0.1
138.57475	0.1
152.98552	0.1
152.99667	0.5
169.09152	0.1
200.68317	0.1
223.91164	0.1
241.28510	0.1
251.20197	1.7
271.83618	0.1
279.23407	0.1
280.24210	0.1
292.42352	0.1
388.14706	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	448.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36928	0.1
56.19207	0.1
59.01387	0.8
61.98834	100.0
69.01505	0.1
71.01365	0.1
103.11289	0.1
111.63192	0.1
111.79192	0.1
131.03366	0.1
158.38751	0.2
249.36334	0.2
254.92558	0.2
264.10260	0.1
381.24722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14014	0.4
57.03444	2.7
58.00605	0.5
59.01376	1.1
61.82277	0.4
61.98824	3.9
79.48492	0.5
90.93336	0.4
113.09727	9.7
120.01240	47.5
125.09706	5.8
127.11293	4.4
137.09703	0.8
141.09221	0.9
149.40607	0.4
151.11235	0.8
153.09273	0.8
155.10776	2.3
165.09209	1.0
167.10841	0.6
171.10313	5.6
180.88628	0.5
195.10275	1.5
199.09723	0.7
201.11328	43.8
201.61038	0.5
202.11731	0.6
213.11336	26.5
227.12976	0.7
289.70303	0.5
291.19666	6.1
309.20682	7.5
327.21793	100.0
328.22162	2.9
364.00827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42197	0.1
55.77891	0.1
56.36620	0.1
61.98834	100.0
74.84264	0.1
75.40038	0.1
141.06641	0.1
145.16266	0.1
152.99657	0.1
251.20117	0.4
378.76852	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	448.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
61.20179	0.2
61.98832	100.0
74.80157	0.1
78.95895	4.5
94.52734	0.2
96.96047	0.3
96.96929	0.3
116.92850	0.3
130.08704	2.4
131.20319	0.2
138.54050	0.2
152.99573	5.1
153.00726	0.2
157.52988	0.2
192.95810	0.2
280.23828	0.2
281.24948	0.2
448.21884	0.3
448.30786	1.5
449.23087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1436
Annotation	Auriculoside
Peak:m/z	Relative Intensity
53.33327	2.8
56.56132	2.6
62.44294	2.9
67.41971	3.5
71.01380	4.4
80.40337	2.9
92.12511	2.8
96.95994	36.7
98.04320	2.9
101.02412	4.2
105.69804	3.6
113.02419	4.1
138.05659	3.5
164.32765	4.0
235.76828	3.3
251.11391	3.7
380.57761	3.8
403.38126	3.5
413.16623	47.6
449.14359	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	449.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95912	0.8
61.98561	0.7
61.98830	9.1
62.96411	25.0
66.80300	0.7
71.49444	0.7
78.95897	69.7
80.97459	37.9
83.04993	0.7
86.91955	0.8
96.96024	6.6
105.08971	0.8
119.04978	1.9
135.04462	0.9
149.00087	21.4
177.05579	5.1
179.01068	1.0
205.16017	14.2
205.17792	1.3
232.62306	1.0
242.98254	6.3
281.24881	5.0
285.12576	3.8
287.90973	0.8
355.16827	29.1
355.21210	1.0
369.77148	0.9
385.17868	29.7
413.12390	7.1
449.15005	100.0
450.15735	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1505
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01379	0.3
61.18507	0.3
61.98837	2.5
61.99114	0.3
62.96415	27.2
69.78380	0.3
77.76355	0.3
78.95902	72.3
80.97466	36.6
96.95989	0.6
96.96941	0.7
149.00096	25.0
150.00513	0.5
152.99602	4.2
169.53358	0.4
179.01128	2.9
205.16002	13.9
234.56419	0.3
242.98322	5.3
250.89191	0.3
281.24841	1.4
285.12634	2.0
355.16846	26.6
356.17325	0.6
385.17920	30.1
386.18408	0.6
448.13754	2.0
449.15009	100.0
450.15274	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	449.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34723	4.3
61.66755	4.6
61.98834	90.9
78.57932	4.5
78.95894	57.6
84.50211	4.6
92.11758	6.1
118.64812	4.7
139.37556	5.9
152.99582	100.0
182.19225	4.9
207.33563	5.6
265.14633	6.4
281.24921	78.7
294.83386	5.5
389.15585	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	449.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.04926	13.4
76.56212	11.2
78.95878	68.4
83.73547	15.6
151.51300	15.1
152.99588	65.2
281.24878	28.3
352.29984	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	449.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63385	0.2
54.83205	0.2
57.73223	0.2
59.01380	1.0
60.28806	0.2
61.98835	3.3
63.19139	0.2
78.95902	60.5
95.65443	0.2
96.96962	8.0
150.98007	2.5
152.99593	100.0
171.00635	3.5
175.14355	0.3
187.08765	0.5
281.24936	0.9
295.22827	0.5
336.90765	0.3
449.23169	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	449.268
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34258	0.2
70.93612	0.2
71.09112	0.3
72.31089	0.2
78.95901	7.7
79.95747	0.3
89.95145	0.3
92.65482	0.3
110.98531	6.6
152.99583	0.5
167.01164	3.9
185.02153	2.5
255.23317	26.9
279.23328	0.7
280.23599	1.5
281.24869	100.0
282.25192	2.8
449.26743	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	449.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42214	0.2
54.56023	0.2
78.95902	4.4
80.27905	0.2
86.34898	0.2
89.55075	0.2
110.98524	3.9
132.25636	0.2
146.05852	0.2
167.01140	1.3
185.02167	2.4
276.21515	0.2
281.24860	100.0
282.25177	6.9
381.38040	0.3
449.26779	8.0
450.26990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74407	0.4
55.45253	0.5
59.01371	0.9
61.98811	2.3
62.10810	0.5
68.99572	8.4
71.01368	1.1
78.95909	4.4
79.95725	1.1
80.91678	0.6
80.96471	0.6
84.00415	0.5
92.12289	0.7
96.95996	87.6
96.96890	5.1
112.98563	8.3
113.02465	0.9
119.04991	1.1
144.04541	1.2
147.03238	2.6
159.03241	2.5
160.04024	24.8
161.02461	0.6
161.04808	0.6
161.06068	1.2
162.05595	64.6
163.04048	0.9
172.96721	0.8
176.03624	0.6
182.02220	5.5
184.03888	0.6
186.65924	0.6
188.03545	4.7
191.05629	0.8
200.03305	18.1
205.05121	0.7
206.02939	0.6
206.04582	33.3
228.02791	100.0
246.04010	3.7
294.10822	0.6
368.09857	19.8
390.07840	3.8
391.09265	1.1
450.06003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1957
Annotation	Dysidine
Peak:m/z	Relative Intensity
56.42291	0.3
57.03058	0.3
58.02967	0.5
60.33124	0.3
61.02248	0.3
61.98828	0.6
66.99284	0.3
78.95896	4.0
81.08775	0.3
84.93919	0.3
87.00871	6.0
88.04047	2.3
92.11733	0.4
96.65041	0.3
97.51308	0.3
98.95431	0.4
99.92582	24.9
100.93356	9.4
106.06392	0.3
110.98568	2.5
115.92071	100.0
116.92083	1.2
116.92847	13.3
125.92905	0.8
132.92378	0.5
141.56671	0.3
141.92436	0.5
141.96045	0.4
142.94414	1.8
152.99649	0.5
167.01160	1.9
169.95488	2.6
170.93884	5.6
170.96208	0.4
174.93398	7.0
185.02139	1.3
202.92964	2.0
227.00620	0.4
257.39291	0.4
261.22266	0.6
281.24866	32.8
282.04373	0.4
282.25208	25.7
304.26581	2.1
320.25961	0.4
348.25476	1.6
404.18933	2.8
420.18527	0.8
432.18411	8.7
436.17978	0.6
446.16522	2.8
449.26932	3.3
450.19604	36.4
450.26907	3.2
464.16971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36295	0.4
59.01371	0.5
61.98806	0.6
76.38673	0.4
78.95898	23.1
85.45068	0.4
116.92870	5.3
122.00147	0.9
140.01190	5.4
152.99564	3.9
156.89403	0.6
196.03824	8.4
210.41035	0.4
214.04922	1.0
253.21733	100.0
254.22011	2.5
281.24789	0.5
282.25125	1.1
331.37805	0.5
352.54346	0.5
391.18073	2.6
450.26334	28.8
451.27081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05077	0.6
50.84980	0.6
51.91798	0.5
57.97554	3.5
59.01360	0.9
59.04807	0.6
61.98077	0.6
61.98827	1.1
62.50148	0.6
89.28831	0.7
92.11810	0.8
110.98492	0.9
116.92838	0.7
128.10780	1.2
130.08722	100.0
131.09012	0.7
187.97807	0.7
237.35902	0.7
274.26233	0.7
281.24878	3.0
282.25183	9.4
324.68652	0.7
348.32761	1.3
392.31754	31.8
392.36911	1.0
393.31943	2.9
450.27563	32.9
451.28088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1251
Annotation	Curculigoside B
Peak:m/z	Relative Intensity
55.01884	0.8
57.03445	0.6
59.01384	6.4
61.98843	4.8
67.01884	1.9
68.85335	0.4
68.99812	0.5
71.01377	8.3
73.02936	2.7
78.03588	0.4
81.03454	2.5
83.01383	2.9
83.05032	0.6
85.02960	4.1
87.00846	0.5
89.02435	0.7
91.01876	1.1
95.01380	7.8
96.96027	0.6
96.99274	0.7
101.02425	5.3
107.01393	1.2
108.02178	7.5
109.02954	9.4
111.00883	3.1
113.02431	3.8
119.04985	0.6
121.02952	0.6
123.00880	100.0
123.04500	10.5
124.01664	45.4
125.02486	3.5
133.02986	3.8
135.04549	0.8
136.01701	0.5
137.02464	1.0
138.02167	1.1
138.03226	28.2
139.00377	0.9
139.04019	20.1
149.02469	0.7
151.00377	6.1
151.03993	0.8
152.01157	15.2
153.01955	14.7
161.02440	14.0
161.04578	0.8
162.02861	0.7
163.04077	0.7
166.02678	2.8
167.03499	27.9
168.03801	0.6
179.03516	0.7
181.04996	0.8
248.80243	0.5
276.49271	0.5
281.06665	2.5
296.05405	3.1
297.06128	8.9
311.07758	31.5
312.07874	0.6
413.14566	8.7
415.14719	0.7
428.12079	0.6
451.12500	77.4
451.33026	1.9
452.13055	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	451.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81076	0.2
53.22591	0.2
54.35756	0.2
57.06001	0.2
59.01379	1.2
61.98831	1.6
85.02952	0.5
93.03468	0.4
99.05622	4.3
107.30439	0.2
117.03465	22.3
119.05025	67.2
120.05357	0.6
135.04599	0.2
141.10353	1.2
142.08783	0.6
145.02965	100.0
146.03311	1.6
159.11397	0.5
163.03970	0.3
185.09337	9.5
287.13962	0.5
305.15121	16.1
331.13104	4.3
360.40359	0.3
415.37967	0.3
433.97766	0.3
451.18787	11.9
452.19241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35686	0.3
55.60934	0.3
58.18780	0.3
61.98825	0.6
69.00096	0.3
78.95903	58.0
82.95434	0.6
89.11172	0.3
93.03444	0.8
96.95965	0.5
96.96949	7.3
116.92862	0.4
135.04558	0.4
136.05244	0.5
137.02426	0.3
150.97981	2.4
152.99586	100.0
171.00647	4.1
289.90891	0.4
297.24414	0.8
451.24701	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	451.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08980	0.3
54.12878	0.3
57.97577	0.3
59.01388	100.0
59.87268	0.3
61.62125	0.3
61.98817	1.2
62.96427	0.7
78.95907	3.2
80.97478	1.4
81.03461	3.7
83.05028	16.9
92.12389	0.4
113.02876	0.3
133.43628	0.3
152.90565	0.3
152.99754	0.4
215.28659	0.3
387.18884	0.4
391.29706	43.7
392.30087	0.7
410.72507	0.4
451.15549	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	451.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07280	0.5
51.61304	0.5
59.01398	0.7
61.98833	1.3
78.95879	0.7
79.95749	0.9
86.44168	0.5
95.95251	0.7
108.62463	0.6
114.09233	2.6
116.07166	100.0
116.92881	0.5
152.99677	0.7
154.58330	0.5
283.26254	3.6
329.64691	0.7
331.55939	0.5
334.31274	2.5
350.32013	0.5
378.30179	75.0
379.30515	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	451.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83835	0.2
52.54714	0.2
55.75381	0.2
57.03054	0.2
57.97568	0.5
59.01388	100.0
60.01735	0.3
60.88134	0.2
61.98829	0.6
63.08654	0.2
71.25150	0.2
78.93783	0.3
78.95898	6.7
78.96319	0.4
80.96340	0.5
81.03456	4.3
83.05028	16.4
96.96046	0.3
96.96954	0.6
105.67572	0.2
116.92882	0.3
146.35699	0.3
152.99593	8.2
153.00735	0.3
153.99974	1.2
155.00082	1.6
307.24033	0.5
357.24097	0.3
389.28015	0.3
391.29736	44.7
392.30273	1.2
451.15881	0.6
451.24319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98077	0.6
77.99037	0.7
80.05036	0.6
81.03445	10.5
83.05023	27.7
86.40200	0.7
88.29423	0.8
100.07751	0.7
111.88193	0.7
125.07178	3.3
143.08192	1.1
207.15048	3.3
224.17647	4.9
225.16063	13.6
242.18784	1.1
263.64972	0.9
324.26492	1.4
333.22873	5.2
339.22354	0.7
351.24283	0.9
367.27335	1.4
392.63364	0.8
433.31931	7.6
450.89777	0.7
451.32928	100.0
452.33063	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	452.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82596	0.1
56.10035	0.1
58.00585	0.2
59.01385	4.4
61.98833	100.0
63.36863	0.1
66.51353	0.1
71.01382	2.3
73.02950	0.2
78.89553	0.1
81.41319	0.2
85.02934	0.2
89.02430	2.7
96.89418	0.2
96.96018	1.3
98.95591	0.3
101.02417	1.6
113.02465	0.6
119.03502	1.0
127.93692	0.2
133.02989	1.1
135.04523	3.5
136.04893	1.1
147.11870	0.3
161.02441	3.2
162.02766	1.2
172.86203	0.2
179.03571	1.1
180.03854	0.3
209.11815	1.8
263.16190	0.2
275.58606	0.2
293.48389	0.2
295.99008	0.2
344.94797	0.2
389.18182	14.4
390.18759	0.4
415.12387	1.8
416.12744	3.2
436.62772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83071	0.7
59.01381	1.1
60.17203	1.0
60.93362	0.7
61.98829	3.4
78.95918	1.0
83.80003	0.8
87.00851	8.1
99.92580	19.8
100.93354	5.1
115.92068	100.0
116.92855	14.2
132.92320	1.0
164.11633	0.9
169.95453	1.8
170.93939	4.5
174.93413	5.9
202.92903	1.0
239.71710	0.9
266.01022	0.9
283.26462	5.5
284.26715	6.7
306.28134	1.2
326.88455	0.8
406.20584	1.3
422.20190	1.1
452.21155	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17666	0.3
56.20044	0.3
59.97268	0.3
63.77034	0.3
64.23849	0.3
73.37560	0.3
75.02176	0.3
90.80040	0.3
91.05496	0.4
93.03427	0.5
93.98046	0.3
107.05026	0.8
117.03468	2.1
117.93237	0.3
119.05017	100.0
133.02953	3.4
134.03719	1.7
135.04517	34.6
145.02940	6.8
148.05313	1.8
150.11545	0.4
161.02438	8.4
162.03217	0.4
175.07660	0.7
180.64630	0.4
190.05063	0.5
223.61009	0.4
235.10631	0.4
235.33212	0.4
249.12529	0.5
264.17188	0.5
289.15683	3.3
290.18753	12.0
306.18237	22.2
316.16675	0.8
332.16187	30.2
452.21973	69.4
453.22525	2.5
469.39978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10486	0.1
54.23547	0.1
55.01882	0.1
59.01382	0.1
62.96408	0.1
78.23466	0.1
78.95902	18.8
96.96941	0.1
100.43729	0.1
101.29890	0.1
104.22603	0.1
104.97487	0.1
116.92809	0.1
122.00133	1.2
127.49826	0.1
134.76747	0.1
134.98526	0.2
140.01181	6.2
141.48871	0.1
145.81972	0.1
152.99557	1.7
156.72916	0.1
166.02734	0.2
196.03802	8.8
204.35880	0.1
214.04851	1.2
237.22144	0.2
255.23300	100.0
256.23602	0.6
371.51712	0.1
392.18225	0.5
393.19659	0.1
452.27863	29.2
453.28400	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	452.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74671	0.1
72.56107	0.1
78.95896	5.0
78.96321	0.2
91.61542	0.2
91.64163	0.2
92.47980	0.1
94.69554	0.1
96.01328	0.1
118.56385	0.2
122.00106	0.2
140.01161	2.0
142.22356	0.2
152.99565	0.7
167.84695	0.2
173.61440	0.2
182.38118	0.1
196.03856	1.1
214.04915	2.2
255.23315	100.0
256.23688	1.7
354.10260	0.3
393.19739	2.3
452.27878	11.1
453.28174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2789
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
61.98835	2.0
62.96390	0.4
72.27656	0.5
78.95902	100.0
82.43065	0.4
83.82703	0.4
84.49544	0.3
96.96955	9.6
116.92899	0.7
124.59179	0.4
130.08727	0.8
140.01282	0.5
152.99597	16.3
171.00645	18.8
197.58163	0.4
378.24292	1.8
452.27914	53.6
453.28299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20842	0.2
59.01411	0.2
72.13980	0.3
75.55446	0.2
77.89555	0.3
78.22386	0.3
78.85049	0.3
78.95903	100.0
80.91673	0.4
82.95419	3.4
96.96956	8.9
101.76404	0.3
116.92904	0.6
141.03613	0.3
150.98003	0.3
152.99586	16.1
160.32520	0.3
163.15923	0.3
171.00641	19.6
196.74181	0.3
248.81709	0.3
277.56531	0.3
303.09314	0.3
333.08652	0.3
378.24188	2.0
452.27859	50.7
453.28461	0.6
459.54776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
60.60904	0.1
61.98830	2.1
71.01379	0.2
78.95893	4.5
79.95728	2.0
88.98791	0.2
89.02445	0.2
89.33106	0.1
96.95999	100.0
96.96894	7.5
100.11376	0.1
108.41572	0.1
116.92878	0.1
132.02187	0.2
134.03734	0.2
159.57532	0.1
160.01654	1.7
160.03973	0.1
161.02457	0.2
162.05652	0.5
175.03995	2.4
193.05078	0.4
206.04500	0.2
263.16113	0.1
315.28894	0.1
355.10291	0.7
452.21954	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	453.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35443	0.1
53.33109	0.1
53.43650	0.1
59.01388	0.3
61.98838	0.3
63.04293	0.1
66.33009	0.1
71.01374	0.1
75.98173	0.1
92.65318	0.1
99.00902	0.2
99.92587	5.9
100.93362	8.8
102.86111	0.1
110.98538	0.1
113.92614	0.2
115.92078	100.0
116.92091	1.2
116.92854	6.4
117.92530	0.2
132.92328	1.2
142.94437	0.2
144.77548	0.1
155.95197	0.2
167.76457	0.1
172.95457	3.3
176.48222	0.1
184.63345	0.2
241.82216	0.1
277.21695	0.5
279.23318	0.5
283.26456	0.7
284.26740	1.5
285.27173	0.7
379.15854	0.6
395.15469	0.2
405.17380	1.0
435.18301	1.2
452.28970	0.2
453.19531	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62222	0.2
55.78213	0.2
58.72417	0.2
63.09370	0.2
64.34116	0.2
71.01381	8.8
78.41929	0.2
84.93891	0.9
86.65580	0.2
92.12368	0.5
94.42133	0.2
99.00890	0.4
99.92580	30.7
100.93353	11.4
110.38506	0.2
114.93431	0.3
115.92072	100.0
116.92852	66.9
117.92465	0.3
126.94958	0.9
132.92365	0.9
143.95226	0.3
144.96013	1.1
150.40169	0.2
154.94473	0.5
155.95210	0.4
172.95464	28.7
186.93443	0.4
279.23233	3.1
283.26541	0.4
284.26810	1.3
285.27121	0.4
345.91058	0.3
362.92441	0.2
379.15829	1.0
395.15356	1.0
435.18423	1.3
453.19550	7.3
454.46301	0.2
477.77734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58641	0.8
54.29686	0.6
55.01888	1.8
57.03457	6.1
59.01113	1.4
59.01389	18.6
59.01693	1.2
61.98820	4.1
65.59397	0.7
66.48792	0.7
67.22285	0.7
71.01382	23.6
72.99304	5.2
73.02929	4.5
75.00452	1.3
75.00870	30.6
79.95700	1.1
83.01374	5.7
85.02470	1.6
85.02949	34.1
85.03460	1.7
87.00871	8.5
89.02428	3.8
95.01375	4.2
96.95987	10.8
99.00883	9.1
101.02443	9.5
111.75016	0.8
113.01727	1.3
113.02452	27.1
113.92719	0.8
115.00371	1.6
117.01946	1.1
146.06129	1.0
160.04047	1.9
162.05606	6.8
187.99658	0.9
191.05417	1.0
206.04614	1.2
240.03955	1.0
277.16586	1.7
370.14334	0.9
393.18051	1.3
453.19839	100.0
454.20346	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	453.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67311	0.2
58.51748	0.2
80.79311	0.2
88.39177	0.2
90.48467	0.2
90.88630	0.2
105.03442	1.4
106.04231	0.5
107.05053	0.5
119.04977	1.3
121.02954	0.3
132.02145	0.5
133.02925	8.1
134.03709	100.0
135.04497	38.7
136.04805	0.5
137.02374	0.5
145.02934	0.5
147.03485	0.3
147.04460	1.8
148.04144	0.3
148.05243	2.2
149.06053	48.3
150.06415	1.1
160.01646	2.7
161.02380	2.6
161.06052	3.2
162.03185	0.9
175.02678	2.0
175.03995	2.7
176.03479	2.2
190.05070	3.9
190.09984	0.9
194.02113	0.3
198.62039	0.2
204.06644	6.4
218.08221	0.5
232.09715	1.4
244.09807	1.1
245.10611	0.5
246.11288	1.5
259.10748	0.9
261.12421	12.3
261.15198	0.5
262.13211	5.3
263.13992	0.3
275.14038	0.4
277.15521	1.7
287.10349	9.2
288.11133	22.3
289.11911	2.4
301.12131	0.3
303.13480	42.3
304.13852	0.9
372.59290	0.3
378.82413	0.2
421.56769	0.2
437.17145	2.4
438.17816	1.4
453.20267	44.8
454.20691	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2137
Annotation	[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Peak:m/z	Relative Intensity
56.10255	1.1
57.86601	0.8
57.88076	0.9
58.02983	0.8
59.01388	100.0
61.98829	1.3
71.01385	33.9
73.02943	26.5
74.02470	4.7
77.95170	0.8
83.01397	8.9
85.02940	6.3
87.00870	1.2
89.02443	17.6
95.01344	1.3
95.15041	1.0
99.05602	2.3
101.02441	30.3
103.25072	0.9
113.02444	9.9
119.03493	5.6
128.03563	11.6
129.99535	1.0
143.04599	13.3
146.04562	1.8
160.00716	1.1
161.04546	4.2
166.09959	1.0
200.03799	0.9
210.08881	1.8
230.49608	1.1
231.13901	1.9
254.07820	1.8
272.08987	6.6
306.07693	5.6
393.19043	1.5
393.29727	1.8
411.20444	5.1
440.77872	1.2
453.21371	64.5
454.21793	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	453.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23297	3.4
59.01380	10.4
61.98824	18.3
71.01384	18.5
74.11121	4.0
92.11769	4.5
96.95957	4.5
97.78028	4.1
99.92588	4.0
113.41720	4.4
114.93432	4.6
116.92867	9.1
125.61951	4.9
248.85278	4.8
255.23302	100.0
269.24823	4.5
326.42062	4.8
356.28284	4.7
453.26328	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98700	37.5
61.07513	42.9
61.98849	45.8
62.99376	43.1
71.01363	50.1
83.78041	44.8
116.92844	62.6
178.51299	44.6
215.97421	43.5
255.23355	88.6
295.22778	100.0
453.21481	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	94.1
61.98837	100.0
72.34470	71.8
76.11266	90.8
156.95407	85.8
165.64806	84.5
372.53839	92.1
377.72293	83.8
449.09894	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29565	41.6
61.98833	53.6
66.37485	40.3
88.98779	54.9
92.12370	100.0
102.05606	67.7
116.92844	81.4
209.77472	52.2
218.92801	50.9
255.23392	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42484	0.2
61.98840	0.3
72.99313	0.5
83.22311	0.3
83.88778	0.3
86.06129	1.6
87.04523	0.3
99.92587	27.6
100.93359	7.1
109.93434	0.4
113.92632	1.9
115.04020	3.0
115.92075	100.0
116.07188	0.9
116.92859	14.1
117.93665	0.4
125.92883	1.3
126.93712	0.3
132.92427	0.3
140.69589	0.3
142.93202	0.4
155.27000	0.3
156.92427	0.3
169.99159	0.3
170.97334	0.3
172.95432	0.3
197.98560	0.4
198.97028	3.1
202.96570	3.2
237.22276	1.3
279.23328	0.3
308.29608	0.4
324.28918	0.5
408.21957	1.9
410.16437	0.4
424.21695	0.9
436.21530	2.8
440.20697	0.3
454.22720	46.2
455.22275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.2
59.01111	0.4
59.01383	9.1
61.98826	0.8
65.26188	0.2
68.23547	0.2
70.40701	0.2
71.01376	4.4
72.99287	0.3
82.94913	0.4
82.95412	10.6
85.02952	0.4
86.91714	0.2
89.02429	4.0
101.02441	0.3
114.84700	0.2
117.87361	0.2
130.08723	100.0
131.09050	1.0
166.51057	0.2
304.19125	1.7
306.21375	0.2
334.53540	0.3
454.24506	58.4
455.24835	3.0
456.96280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83663	0.1
59.01391	0.6
61.98838	100.0
67.51553	0.1
69.23981	0.1
78.34492	0.1
82.08707	0.1
98.31729	0.1
118.42509	0.1
192.96004	0.1
301.99966	0.1
360.80206	0.1
433.29117	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	454.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.1
61.98836	100.0
67.19667	0.1
90.21102	0.1
92.11791	0.1
100.95793	0.1
119.04985	0.1
131.20662	0.1
140.34967	0.1
145.02959	0.2
150.44835	0.1
163.04024	0.2
195.20009	0.1
251.82547	0.1
328.23053	0.4
372.21927	0.8
454.22241	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	455.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21666	1.6
55.57290	1.5
59.01382	86.7
61.98847	1.8
69.03444	12.4
71.01378	58.2
72.99287	2.9
83.01389	2.1
85.02935	10.2
87.00859	2.0
87.04502	45.2
89.02443	100.0
95.01390	2.1
96.95975	12.0
99.92535	3.4
101.02422	30.9
111.04490	9.8
113.02449	37.3
116.92831	10.3
119.03493	30.4
131.03488	75.6
149.04533	3.6
155.03447	2.2
161.04509	4.8
161.69281	2.3
179.05605	20.2
226.52849	2.0
232.88278	2.1
233.06602	3.8
293.08850	10.7
341.10962	54.7
405.37088	2.1
439.95306	2.0
455.07883	2.5
455.13596	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.7
59.01387	41.8
61.98819	3.2
61.99119	0.8
70.21809	0.6
71.01385	31.6
72.99307	0.8
73.02947	9.6
83.01379	3.3
84.95100	0.7
85.02952	8.9
85.06586	13.9
86.00079	0.7
87.00871	8.2
89.02441	38.6
89.34545	0.8
95.01385	0.8
96.95985	2.7
99.00851	1.0
101.02440	22.8
113.02441	11.2
113.06087	0.9
115.07620	0.7
116.92818	0.7
119.03503	7.1
125.02469	1.0
129.01953	0.7
131.03499	18.9
131.07133	43.5
143.03433	0.8
149.04504	6.7
158.03764	0.6
159.03059	1.0
161.04535	6.9
162.05646	0.9
179.05620	5.2
191.05605	8.7
206.04782	0.7
221.06660	5.6
293.12436	1.2
420.62335	0.8
455.17767	100.0
456.18073	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	455.1829
Annotation	Kopsidasine N-oxide
Peak:m/z	Relative Intensity
53.12721	0.7
58.47255	0.6
59.01392	5.4
61.98815	1.5
64.36229	0.6
71.01383	1.3
77.74820	0.7
81.40604	0.7
89.02449	0.9
91.01879	0.9
92.65751	0.7
94.13213	0.7
96.96017	1.8
97.46472	0.7
105.03453	1.2
108.02168	4.0
109.02998	1.1
122.03722	10.5
123.04551	3.2
124.01667	0.9
130.06604	1.0
132.02174	27.4
133.02965	11.3
134.03743	21.8
135.04539	6.6
135.98756	0.8
146.06244	0.9
147.04538	25.0
148.05309	1.5
149.06068	13.8
150.03226	100.0
151.03990	4.0
153.01994	0.9
160.01651	1.7
160.03973	0.9
161.02422	4.7
162.01965	0.9
162.03215	1.2
162.05557	1.1
165.05557	32.1
175.04007	4.4
176.03508	1.0
177.04250	1.2
188.03535	1.1
188.38237	0.9
190.05142	1.3
191.03479	9.6
204.06627	3.4
206.04672	1.0
211.13586	1.1
230.08238	0.9
231.08928	9.0
232.35370	0.8
246.11356	7.1
247.10860	9.3
248.11693	9.8
249.12480	9.3
263.14014	11.8
273.08853	6.9
274.06866	1.3
274.09656	23.9
275.10294	1.7
279.13541	5.0
287.61301	0.7
289.11963	33.4
290.09177	1.6
290.12137	0.9
305.11530	8.6
395.17108	5.4
417.12161	1.5
448.68546	1.0
455.18298	56.1
456.18762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.211
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16290	0.1
61.98827	0.3
63.33519	0.2
78.95131	0.2
93.67925	0.2
99.92563	5.5
100.92720	0.2
100.93345	9.2
115.92064	100.0
116.92067	3.1
116.92849	7.3
117.92477	0.2
129.59010	0.2
132.92361	1.1
134.51337	0.2
142.94417	0.3
172.95464	3.5
229.99883	0.2
281.24918	1.1
381.17593	0.4
407.18976	0.9
437.20169	0.3
455.21024	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	455.2421
Annotation	strongylophorine-26
Peak:m/z	Relative Intensity
61.92271	0.2
70.87615	0.2
74.19298	0.2
76.57291	0.2
78.95898	8.7
96.96951	0.5
114.25517	0.2
118.14014	0.2
132.49585	0.2
137.23395	0.2
142.39122	0.2
152.99588	14.9
171.00677	1.3
221.69048	0.2
227.03293	2.3
227.20178	100.0
228.20532	3.1
245.04341	0.5
251.23476	0.2
455.24228	28.3
456.24579	1.1
474.05252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22655	1.7
50.30766	1.7
58.00832	2.1
61.98832	100.0
62.14947	1.8
63.12830	1.9
82.63033	2.2
85.07751	2.1
95.67390	2.4
99.92561	2.7
106.30814	2.1
116.92830	3.2
126.18758	2.0
157.82852	2.2
187.86275	2.1
279.23328	21.3
287.05807	2.4
358.68701	2.2
383.29483	9.1
394.23248	2.5
455.27863	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	455.338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.8
61.98837	3.7
70.05756	0.4
76.05455	0.4
83.05006	0.7
85.02954	4.1
99.92535	1.0
109.06560	1.9
115.92068	0.7
116.92825	3.0
117.92867	0.5
131.03514	0.7
137.09740	8.8
153.09145	0.6
154.94717	2.3
155.10773	100.0
156.11070	2.4
157.13477	0.5
159.62894	0.5
171.10254	21.5
172.95799	1.9
177.04916	0.5
181.08719	1.7
199.09772	29.2
217.10817	59.8
218.11186	0.6
255.23299	49.4
256.23703	2.0
281.24835	0.6
298.37299	0.5
411.32962	1.2
455.33862	35.7
456.34189	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64866	0.2
61.98835	100.0
65.43854	0.2
77.38682	0.2
92.65763	0.3
119.04992	2.3
120.05370	0.3
133.02992	1.4
134.03741	1.4
135.04132	0.3
149.06100	0.5
150.06421	0.3
155.26366	0.2
160.01712	0.4
167.39417	0.2
175.04063	0.4
179.77815	0.2
183.90903	0.2
255.70862	0.2
259.10965	0.4
260.16608	0.2
274.09662	0.3
284.84030	0.3
328.55713	0.2
410.18274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.7
61.98811	0.6
71.01382	7.3
73.02931	0.9
76.57513	0.6
78.95891	5.5
84.10626	0.6
85.02934	3.1
89.02434	7.7
91.01888	0.8
92.65611	0.7
95.20351	0.6
96.96927	4.5
99.00817	0.6
101.02447	5.5
101.75608	0.5
113.02393	4.2
116.05048	23.2
118.06601	0.8
118.19141	0.6
119.03493	1.2
121.05016	4.5
128.05080	4.4
131.03749	6.4
132.04523	1.3
144.04550	49.8
146.06117	100.0
147.06485	0.8
160.04077	2.6
161.04556	1.4
162.01988	5.5
162.05605	23.7
172.04045	46.3
188.03546	2.4
190.05107	63.7
232.06160	0.7
273.48953	0.6
283.10413	5.6
456.10519	1.9
456.15189	48.8
457.15500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06099	0.4
52.83152	0.3
57.03445	1.7
58.00595	0.9
59.01384	75.1
64.34328	0.4
71.01380	45.5
72.99303	2.0
73.02923	0.9
73.48418	0.4
83.01381	1.9
85.02951	7.8
87.00856	2.3
89.02441	78.6
95.01366	2.2
99.86684	0.5
101.02438	22.7
101.05792	0.4
101.49330	0.5
102.05096	0.4
113.02450	20.9
114.05607	38.0
115.00320	1.8
119.03492	25.0
122.54322	0.4
131.03473	2.9
143.03500	3.9
149.04556	0.9
158.40916	0.5
161.04585	4.4
179.05611	20.9
284.62048	0.4
297.35495	0.5
304.23489	0.5
341.10898	100.0
344.06818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59544	0.1
52.83723	0.1
59.01390	0.2
61.98839	100.0
85.16653	0.1
98.97131	0.1
100.29340	0.1
130.08768	0.7
134.03720	0.1
140.14905	0.1
391.57404	0.1
395.18652	0.1
456.26160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60596	0.6
55.70764	0.7
59.01384	3.1
61.98836	1.1
99.41177	0.8
99.92584	22.8
100.93363	2.7
115.92069	39.0
116.92848	100.0
155.97647	1.3
168.61221	0.9
183.62286	0.9
227.29379	0.7
237.03008	0.8
268.52969	0.7
269.91943	0.8
273.50974	0.9
303.17380	0.9
306.68777	0.7
388.56055	0.8
394.20474	6.9
456.20660	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	456.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.2
57.03461	0.1
58.00598	0.1
59.01395	9.2
61.36133	0.1
61.98834	0.9
71.01391	3.5
72.99317	0.2
73.02948	0.1
80.56707	0.1
82.95411	0.7
83.01382	0.2
85.02975	0.7
86.00084	0.1
87.00880	0.1
89.02447	3.5
90.61698	0.1
96.46619	0.1
101.02459	0.7
112.29224	0.1
113.02477	0.1
128.10802	0.1
130.08734	100.0
131.09071	1.3
140.77907	0.1
141.63676	0.1
148.76579	0.1
165.12718	0.1
191.37801	0.1
196.98656	0.1
207.94926	0.1
217.00299	0.4
223.44594	0.1
262.21790	0.2
273.17004	0.1
306.20715	0.1
456.26099	51.7
457.26450	2.8
460.53311	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	457.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00075	0.1
59.01386	1.6
61.07856	0.1
61.98827	0.8
62.98154	0.1
63.89574	0.1
64.30132	0.1
71.01389	0.8
71.45037	0.1
78.95906	7.6
79.95736	1.9
85.02947	0.2
88.98815	0.7
89.02439	0.8
96.96008	100.0
96.96921	13.6
101.02467	0.3
109.04909	0.1
119.05027	0.2
119.27154	0.1
134.03783	0.2
170.34325	0.1
232.06105	0.2
254.00342	0.2
284.19620	0.2
359.16998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03323	0.9
56.60221	0.9
57.42455	0.9
59.01386	78.5
61.98818	6.8
67.66247	0.9
71.01000	1.2
71.01384	31.7
73.02911	1.3
83.01374	1.3
85.02934	6.7
87.00854	1.3
89.02441	47.9
90.04543	1.0
93.03441	1.7
95.01363	1.7
96.95989	2.1
101.01765	1.3
101.02443	28.3
109.02964	1.6
113.02445	17.9
116.07146	2.3
119.03495	20.6
131.03433	1.3
132.02148	1.3
133.02943	22.6
133.05058	1.3
134.03749	7.7
135.04521	76.1
137.02429	6.2
139.03998	1.0
148.05292	2.1
149.06064	15.0
160.01656	5.6
161.02454	82.8
161.22057	1.1
162.05670	1.0
175.04027	6.8
177.05583	25.7
178.02592	1.5
179.03513	57.5
193.05045	1.2
217.01419	1.8
221.04572	20.9
221.06529	1.8
251.05534	8.6
281.06668	15.3
295.10370	100.0
296.10736	1.6
327.96866	1.1
341.08832	1.6
457.13486	98.7
458.13791	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
57.03444	1.1
59.01104	0.7
59.01384	10.1
61.98823	3.3
71.01379	8.8
71.36980	0.5
73.02936	2.9
73.39960	0.5
74.35272	0.5
75.00864	0.6
78.48895	0.5
82.95365	0.6
83.01384	2.6
84.02174	0.5
85.02959	5.0
87.00893	0.6
89.02430	1.2
91.01867	1.2
92.11673	1.3
93.03465	2.3
95.01357	0.7
95.07098	0.5
96.95972	0.6
101.02429	7.0
107.05041	0.7
113.02462	2.5
114.63736	0.6
119.01379	6.9
121.02947	5.2
131.07101	0.7
133.02905	0.7
134.03731	3.7
135.04526	4.3
137.02405	0.9
145.03012	0.6
146.06052	1.0
147.00899	7.7
149.02429	11.1
152.01170	1.4
161.02451	3.2
162.03120	0.8
162.05624	2.7
163.04091	4.7
164.04785	10.3
164.94897	0.6
165.01833	1.2
175.00368	42.9
176.00867	0.6
179.07106	0.7
189.01907	0.9
190.02721	100.0
191.03247	1.3
194.28357	0.6
205.05067	84.3
207.02902	0.9
208.03796	0.9
209.04588	3.3
223.06172	10.5
256.95346	0.6
272.80118	0.6
276.87723	0.6
427.12448	3.6
442.14880	3.1
445.49991	0.5
457.17233	85.8
458.17264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56303	1.0
54.83220	1.3
58.00583	1.6
59.01381	21.6
61.98829	7.4
67.41917	1.1
69.57257	1.1
71.01367	10.8
72.60318	1.2
72.99329	1.3
73.02955	1.4
75.15060	1.0
75.30669	1.1
77.51823	1.4
81.03443	1.9
82.95411	6.2
85.02941	1.9
89.02433	5.5
92.66531	1.6
93.03452	1.4
101.02464	2.9
106.04242	18.3
107.05050	11.8
108.02168	8.6
111.02014	1.8
113.02444	4.9
119.03500	1.6
119.05001	6.6
121.02904	2.4
123.04521	16.6
130.86797	1.1
131.05093	1.5
132.02251	1.3
133.02945	58.6
134.03732	28.0
135.04527	2.6
136.01660	2.2
137.02426	1.9
138.03230	3.1
147.04507	6.5
149.06087	16.7
151.03967	18.8
160.01686	7.1
161.06114	5.9
162.05655	2.7
163.03983	4.9
165.04181	1.5
165.05559	47.7
175.00388	5.3
175.03992	75.0
190.02701	13.9
193.05046	58.1
205.05067	21.6
206.04573	2.2
216.10266	1.9
217.00455	1.3
223.06195	5.1
253.07239	8.8
259.09918	1.5
274.09561	8.5
288.82532	1.3
289.11951	12.7
323.13516	3.0
331.08279	2.1
410.11984	1.3
419.11096	1.6
433.10138	1.3
439.14725	5.1
444.42337	1.4
457.17239	100.0
458.17627	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	457.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15097	0.6
57.03445	0.9
58.00581	1.1
58.02955	3.0
59.01386	55.6
61.98829	0.9
70.02977	23.0
71.01379	26.5
71.02482	1.3
72.00885	2.1
72.99263	1.1
73.02921	0.8
78.73338	0.8
85.02930	3.9
87.00858	1.4
89.02436	29.8
93.03439	1.2
95.02492	4.8
96.00900	88.8
96.96001	0.9
101.02438	6.6
113.02422	1.3
113.03564	32.6
114.01955	51.2
119.03481	1.6
131.03609	2.8
131.04605	57.3
131.82018	0.8
133.02933	1.9
135.04514	8.5
137.02438	1.8
139.03992	1.0
149.06044	1.2
149.09769	1.8
161.02435	8.2
162.05569	1.2
175.04048	1.5
177.05522	1.1
179.03506	4.4
181.76038	1.0
193.04977	1.1
205.21538	0.9
221.04567	1.7
238.22038	0.9
251.05801	0.8
295.10370	9.0
421.11746	1.4
434.47971	1.0
439.20938	12.9
457.13831	5.5
457.21967	100.0
458.21924	1.1
477.10330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
58.00583	2.8
59.01383	100.0
62.18767	0.5
71.01378	87.6
72.99288	4.5
73.02937	2.7
75.00846	1.0
76.03019	0.6
83.01372	2.5
85.02947	9.0
87.00858	3.5
89.02435	94.6
95.01376	1.4
99.00832	0.9
101.02435	22.0
113.02444	15.4
119.03483	10.8
131.03516	3.2
141.01788	0.7
143.03468	2.6
149.04523	3.7
161.04517	6.7
179.05592	19.2
184.80124	0.6
240.48250	0.5
277.21716	40.2
278.22049	0.6
359.22028	2.7
379.88037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.8
59.01389	9.7
61.98823	3.6
67.40277	0.7
69.51933	0.7
71.01377	14.4
72.99309	1.5
73.02941	11.2
75.00876	14.9
81.08491	0.8
85.02950	7.0
87.00880	2.7
89.02429	4.4
99.00891	2.8
101.01764	1.2
101.02435	31.2
113.02442	4.8
113.09715	1.6
116.92869	0.7
117.63956	0.7
129.01944	3.4
131.03488	3.9
160.84209	9.3
161.04541	11.3
161.84227	1.2
162.83914	29.8
177.04042	6.3
183.13914	3.5
195.13905	17.9
277.21741	16.9
279.23346	10.4
295.22806	100.0
348.17236	0.7
457.07083	4.4
457.28143	17.8
458.06708	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	457.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82534	0.6
55.61466	0.6
58.00591	0.7
58.02984	5.4
59.01387	7.6
61.98823	1.0
63.31482	0.6
67.03002	0.9
70.02978	0.7
74.02470	1.5
82.02972	1.2
83.06142	1.5
84.04558	3.6
84.95123	4.4
89.39561	0.6
93.03423	0.7
99.08142	4.7
101.07187	6.0
109.04076	13.1
112.30383	0.7
125.03575	1.5
125.07175	2.5
127.05128	45.9
127.07632	0.7
128.03539	16.8
129.09201	3.2
137.02466	0.9
137.07126	0.9
145.06190	37.0
156.41341	0.6
169.16833	0.6
170.15497	0.9
180.13870	1.2
181.12363	1.5
198.14999	5.3
202.29189	0.6
211.13570	0.6
217.00314	1.0
235.18135	3.9
236.96048	0.7
243.46651	0.6
247.18266	5.1
249.19684	2.7
265.19208	4.0
277.19101	0.8
287.11984	0.7
329.23297	0.7
363.18210	0.7
374.99289	0.7
439.28317	4.4
457.29266	100.0
458.29703	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	457.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14772	0.9
51.68741	1.0
54.82270	0.9
59.01387	100.0
61.98826	1.8
65.52356	0.9
114.06226	1.1
128.57841	0.9
136.66180	1.2
279.23334	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	457.333
Annotation	Fruticoside B
Peak:m/z	Relative Intensity
50.90932	0.7
52.28605	0.9
57.76500	0.8
59.01381	1.2
61.98830	2.2
74.25301	1.0
87.77804	0.8
89.83749	0.8
99.92568	3.8
106.25310	0.9
107.05032	30.0
109.06593	100.0
116.92836	2.0
132.90587	13.9
179.10239	0.8
212.83946	0.8
303.26965	29.2
303.30139	1.8
304.27231	0.9
355.30225	11.1
357.31589	3.8
395.33228	5.5
411.32742	12.0
413.34390	6.0
457.33307	77.8
458.33588	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	457.3341
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
55.99640	0.3
58.17350	0.3
59.01365	2.4
61.98834	4.4
67.80701	0.4
87.04502	0.8
92.12361	0.9
92.65101	0.5
116.92782	0.5
134.73093	0.4
135.08130	3.9
150.06847	0.9
160.84267	0.8
161.03763	0.4
163.07637	100.0
164.07993	0.8
176.08374	0.5
207.09901	0.4
255.23346	3.7
264.50757	0.4
295.22803	0.4
369.27979	0.8
395.25995	0.5
442.30765	1.7
457.33270	43.1
458.33734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3327
Annotation	Platanic acid
Peak:m/z	Relative Intensity
55.82004	0.4
56.41244	0.5
59.01394	0.6
60.30970	0.5
61.98850	0.8
67.99929	0.4
76.66967	0.5
77.41819	0.5
83.05019	0.5
93.03384	0.6
103.77008	0.5
107.05017	15.8
109.06582	100.0
116.92809	2.0
125.94411	0.6
152.17867	0.4
162.56926	0.6
166.48952	0.5
255.23285	0.6
303.26971	24.4
326.25952	0.6
355.30008	1.3
357.31686	3.0
362.93015	0.6
379.30621	0.6
383.33484	1.2
395.33167	2.2
397.31088	0.7
400.48291	0.6
413.34271	11.7
427.86942	0.6
431.35312	6.8
457.33279	60.6
458.33337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03465	0.6
58.00596	0.5
59.01387	31.7
65.89075	0.3
71.01382	22.2
72.01759	0.4
72.99304	0.7
73.02944	8.7
85.02946	3.0
88.98839	0.4
89.02438	34.1
95.01372	0.8
99.00863	1.7
99.92587	4.8
101.01788	0.5
101.02431	10.6
103.25423	0.4
113.02442	8.7
114.93407	0.6
115.00383	4.6
116.00679	0.4
116.07168	27.9
116.07991	0.9
116.92852	100.0
117.01930	20.2
119.03471	9.6
128.62236	0.4
131.03494	0.7
133.01451	0.7
142.93600	0.5
143.02252	0.4
143.03490	1.7
146.04543	0.4
149.04489	0.8
161.04567	2.3
179.05617	9.9
179.07068	0.7
240.88310	0.4
341.10901	47.2
342.11292	0.8
343.11407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22446	1.1
55.48854	1.3
59.01379	12.2
60.00905	69.0
61.98814	2.9
66.10578	1.3
71.08672	1.4
86.20224	1.2
108.65406	1.4
116.92852	17.2
135.83641	1.4
145.02946	1.9
147.08151	1.7
156.99104	2.2
187.11240	1.5
337.21765	100.0
338.22107	2.9
356.74170	1.6
411.38678	1.6
458.23557	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
58.00585	0.2
59.01383	9.6
60.01708	0.2
60.63847	0.1
63.15554	0.1
65.53607	0.1
68.76295	0.1
71.01375	6.6
72.01710	0.2
72.99292	0.2
73.02940	25.0
75.00869	0.1
76.57677	0.1
85.02947	0.9
87.00854	0.3
89.02432	9.1
90.02762	0.3
92.12374	0.3
95.01408	0.2
99.00863	2.7
99.92572	6.1
101.02438	3.0
102.02828	0.2
113.02432	2.2
114.05647	0.2
114.93417	0.2
115.00375	0.7
116.00763	0.2
116.07162	6.3
116.92849	100.0
117.01926	46.2
117.07468	0.3
117.57686	0.2
117.92883	0.7
119.03493	2.6
131.03497	0.3
133.01375	0.2
134.35359	0.2
143.03531	0.2
149.04576	0.2
161.04533	0.2
179.05598	2.5
180.05914	0.3
195.25238	0.1
231.13057	0.2
279.10922	1.3
341.10898	10.3
341.15060	0.4
342.11246	3.4
456.67526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
58.00585	0.2
59.01383	9.6
60.01708	0.2
60.63847	0.1
63.15554	0.1
65.53607	0.1
68.76295	0.1
71.01375	6.6
72.01710	0.2
72.99292	0.2
73.02940	25.0
75.00869	0.1
76.57677	0.1
85.02947	0.9
87.00854	0.3
89.02432	9.1
90.02762	0.3
92.12374	0.3
95.01408	0.2
99.00863	2.7
99.92572	6.1
101.02438	3.0
102.02828	0.2
113.02432	2.2
114.05647	0.2
114.93417	0.2
115.00375	0.7
116.00763	0.2
116.07162	6.3
116.92849	100.0
117.01926	46.2
117.07468	0.3
117.57686	0.2
117.92883	0.7
119.03493	2.6
131.03497	0.3
133.01375	0.2
134.35359	0.2
143.03531	0.2
149.04576	0.2
161.04533	0.2
179.05598	2.5
180.05914	0.3
195.25238	0.1
231.13057	0.2
279.10922	1.3
341.10898	10.3
341.15060	0.4
342.11246	3.4
456.67526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85528	0.3
59.01381	0.8
64.96992	0.3
65.08674	0.3
74.12325	0.3
92.11775	0.5
105.03458	2.7
105.04068	0.3
109.02885	0.4
120.04552	0.4
132.02135	5.1
133.02942	100.0
134.03766	8.6
135.04523	5.7
146.02515	0.5
147.04538	0.7
148.04044	0.6
149.06085	4.6
161.02472	0.6
161.84120	0.3
175.02747	3.1
175.04036	0.4
176.03554	1.7
180.99988	0.3
186.03281	0.3
202.05013	0.5
230.08208	1.6
231.08989	2.5
231.11409	1.4
232.09734	0.4
247.10870	6.8
267.06973	0.5
268.07425	0.7
273.08807	8.3
274.09497	3.1
275.10239	2.0
283.09634	0.5
287.10455	0.7
289.11957	2.8
423.15668	35.5
424.15961	1.5
459.13348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60040	0.3
59.01384	5.0
61.04245	0.3
61.98835	0.8
71.01369	2.3
84.71822	0.3
89.02438	1.8
96.95986	0.6
101.02427	0.5
103.49638	0.4
105.03437	2.0
107.05080	0.5
109.02969	0.7
116.92827	0.7
117.03449	0.6
121.02895	0.4
127.86573	0.3
132.02148	4.9
133.02943	100.0
134.03751	9.1
135.04533	7.0
146.50432	0.4
147.03310	0.4
147.04491	0.8
148.04041	0.6
149.06082	5.4
157.81503	0.4
159.04507	1.4
160.01712	0.4
161.02402	0.7
175.02707	3.6
175.04018	1.2
176.03514	2.4
190.04993	0.5
202.05109	0.6
217.12178	0.4
230.08250	2.1
231.09035	2.7
231.11349	1.9
232.09732	0.5
245.09277	0.4
246.11340	0.8
247.10910	6.9
267.06461	0.5
268.07437	0.7
272.08115	0.5
273.08810	8.2
274.09662	2.7
275.10425	0.8
283.09775	1.8
287.10425	1.6
289.11993	3.3
399.20184	0.8
402.52890	0.4
423.15649	38.1
424.15939	0.8
459.13370	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14984	0.2
51.63130	0.2
59.01376	1.5
67.06416	0.2
71.01368	0.6
73.02938	51.7
89.02433	1.7
99.00867	6.3
99.92570	1.7
101.02445	0.4
116.92847	23.9
117.01926	100.0
117.92831	0.7
119.03465	0.4
125.41123	0.3
142.37323	0.3
158.91762	0.3
174.42090	0.3
183.88986	0.3
212.02121	0.3
341.10904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
72.63368	0.2
73.02937	54.6
75.81477	0.2
77.39106	0.2
88.80962	0.2
96.33873	0.2
98.93220	0.3
99.00859	7.3
99.92571	1.3
116.92834	19.0
117.01913	100.0
117.92846	0.3
118.02245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
59.01108	0.5
59.01383	12.1
61.98820	0.5
64.34255	0.3
71.01376	8.4
73.02939	2.1
73.42226	0.4
76.56599	0.4
82.27325	0.3
83.01376	0.8
85.02946	2.4
87.00877	0.4
89.02437	5.4
96.95999	0.6
99.00867	0.5
101.02427	5.8
103.00356	0.6
105.03440	0.5
113.02438	2.9
114.65257	0.4
116.92862	0.7
117.03448	2.8
119.03461	2.3
119.04957	0.5
121.05048	3.8
132.02161	21.0
133.02954	1.9
134.03731	36.6
135.04523	0.4
137.02455	0.6
145.13167	0.4
147.04608	0.5
149.06059	4.4
160.01653	100.0
161.02347	0.8
163.04073	0.5
175.03995	97.8
176.04710	1.8
178.02670	1.0
179.03502	0.8
191.07214	1.7
193.05061	33.7
207.06714	0.4
221.04611	0.4
235.06146	4.1
265.07138	0.6
273.58945	0.5
283.10461	0.4
337.09323	0.5
459.15128	69.7
460.15408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00624	0.3
55.01892	0.5
59.01386	9.1
61.98826	1.3
70.29607	0.3
71.01381	5.6
72.99288	0.4
73.02921	0.8
75.00863	0.6
77.45039	0.3
83.01402	0.3
84.75844	0.3
85.02953	2.6
86.87394	0.3
87.00848	0.5
89.02439	5.9
96.95994	3.0
99.00886	0.8
101.02449	3.8
113.02438	2.6
116.92835	0.7
117.03447	5.3
119.03500	1.2
119.05018	4.6
122.02480	1.3
131.03497	0.8
132.02165	0.6
133.02942	31.8
134.03699	1.5
135.04520	11.4
135.06621	0.8
137.02515	0.4
145.02957	16.6
147.04524	1.3
148.98589	0.3
161.02441	100.0
162.02841	0.8
163.04019	4.8
165.05582	0.5
177.05521	0.4
179.03482	6.0
190.70923	0.3
205.05003	0.8
206.84386	0.3
221.04674	0.5
301.57730	0.4
396.24228	0.4
459.15109	67.4
460.15714	0.8
476.73746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1514
Annotation	Paeonolide
Peak:m/z	Relative Intensity
54.82842	0.2
55.01875	0.6
57.03437	0.4
58.00596	0.3
59.01387	29.6
61.98813	1.2
63.45718	0.2
71.01381	8.6
72.99306	0.5
73.02654	0.2
73.02954	3.6
73.09220	0.3
77.65417	0.3
83.01361	0.7
85.02952	2.6
87.00853	0.6
89.02444	3.6
90.12661	0.3
92.12418	0.5
93.03449	7.4
95.01376	0.4
96.95997	1.6
99.00877	7.6
101.02430	4.4
113.02470	2.2
116.92869	1.8
119.03541	0.4
119.04994	1.7
121.06578	9.2
131.03503	1.3
133.02951	1.4
135.04448	0.4
137.02451	1.3
145.02975	1.4
147.04514	1.3
149.45290	0.3
150.03259	0.7
161.02490	2.6
161.04514	0.5
162.05637	0.4
163.04030	0.5
165.05574	100.0
166.05948	0.5
175.11285	0.3
191.05571	0.7
201.09166	0.5
207.06627	0.6
221.32724	0.3
237.07719	1.3
244.08415	1.4
251.25479	0.3
327.10901	1.2
331.97690	0.3
399.16718	1.4
459.15140	67.6
460.15823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84341	0.6
54.82769	0.6
55.01869	1.0
55.17048	0.6
57.03446	0.9
58.00595	1.0
59.01388	100.0
61.98823	1.0
69.03454	0.9
69.72137	0.6
71.00988	1.7
71.01381	48.0
72.99303	1.8
73.02943	68.1
74.10708	0.7
80.89878	0.7
83.01382	15.6
85.02948	6.4
88.55935	0.8
89.02438	17.4
91.69450	0.7
95.01397	1.4
96.00936	0.8
99.00877	2.7
101.02439	55.7
113.02449	15.1
119.03474	4.1
125.02432	2.8
131.03514	4.1
131.04584	1.0
132.02148	1.5
133.02948	62.5
134.03772	6.3
135.04512	3.3
136.01682	2.8
143.03503	3.7
145.02995	1.6
148.01645	1.7
149.04607	1.3
149.06046	3.0
151.03984	1.4
161.04593	7.8
163.04004	1.8
169.61562	0.8
175.02725	2.6
176.03510	3.3
193.12364	7.4
205.77596	0.8
211.13402	2.7
219.03088	0.9
224.05933	0.8
231.09328	0.8
231.11334	5.7
247.10898	8.3
259.10745	1.0
263.14517	0.8
273.08865	4.5
289.11826	0.9
355.17728	1.4
373.18674	10.0
408.24115	0.7
415.19778	46.9
416.19901	1.2
423.15714	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	459.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98829	96.5
84.40092	21.2
91.69547	23.4
101.42229	20.4
104.95951	20.1
113.76022	20.5
116.92825	26.7
118.29862	20.5
227.04414	23.0
311.22330	26.8
313.23792	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2761
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
56.19731	0.2
56.47463	0.2
56.96455	0.2
59.01377	0.6
61.98839	0.4
64.77006	0.3
79.27554	0.3
85.54232	0.3
91.67158	0.3
91.72886	0.3
116.92858	5.7
117.03445	1.2
121.02927	0.4
125.99375	0.3
132.02193	0.7
133.02948	26.4
134.03737	3.6
135.04524	10.7
137.02435	1.4
148.05331	0.4
161.02443	100.0
162.02899	0.5
179.03557	2.2
192.78397	0.4
229.56326	0.3
297.24384	10.7
373.27585	0.4
379.80276	0.3
441.26428	2.3
459.27573	39.6
460.28064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2913
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
54.82695	0.2
59.37148	0.2
76.18866	0.2
107.05032	30.0
121.06506	0.2
141.48509	0.2
146.60938	0.2
147.08200	0.7
163.11292	100.0
164.11610	1.1
280.14630	0.3
283.17050	20.5
289.94916	0.2
295.17050	12.2
379.92493	0.2
436.57553	0.2
459.29105	63.9
460.29456	1.0
461.29904	0.2
476.61923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	3.7
59.21658	0.4
60.00301	0.4
60.12580	0.4
61.98826	2.2
66.84271	0.5
71.01378	4.1
73.02950	7.0
76.03561	0.4
85.02940	2.4
89.02435	3.7
92.12347	0.9
95.01398	0.5
101.02431	27.0
113.02422	2.6
116.07198	0.5
116.92812	4.2
119.33245	0.4
127.11205	0.6
131.03461	2.4
155.10776	2.5
160.84190	4.1
160.85364	0.4
161.04541	8.3
162.83907	13.1
171.10246	3.8
208.40135	0.5
279.23294	8.7
295.22827	0.6
297.24356	100.0
298.24707	1.7
459.08835	1.1
460.08246	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	459.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
58.00584	3.3
59.01384	100.0
71.01379	74.9
72.99299	4.1
73.02923	1.7
75.00866	0.8
83.01376	1.5
85.02952	6.8
85.03395	0.7
87.00849	2.7
89.02437	90.0
89.39835	0.7
91.43388	0.6
92.11830	1.0
95.01391	1.6
101.02435	18.9
107.05026	8.2
109.06599	1.2
113.02444	13.4
116.54664	0.7
116.92832	4.1
119.03477	5.6
131.03445	3.3
134.34171	0.7
138.46040	0.8
143.03481	2.6
149.04543	3.3
161.04541	5.5
163.11230	3.0
168.47011	0.7
179.04077	1.1
179.05609	18.7
226.08897	0.8
272.83258	0.7
279.23297	42.7
281.24753	1.1
283.16992	4.0
361.23953	0.7
410.00757	0.7
415.32327	1.7
459.30072	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	459.3121
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
59.01374	4.1
61.98832	1.6
69.03450	9.7
80.02677	1.5
92.12415	0.9
95.01476	0.9
96.56380	1.0
101.02437	1.3
107.05013	6.5
109.06582	94.6
116.92841	7.6
147.97020	1.1
159.46394	0.8
161.04568	0.8
279.23578	1.3
297.24219	6.8
303.26849	1.9
341.28488	2.1
343.30078	53.1
344.30362	1.1
354.16183	1.5
369.31546	1.2
371.33246	19.8
379.29733	1.2
397.30933	12.9
415.32208	60.1
416.32349	1.4
459.31207	100.0
460.31641	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	460.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.1
61.98830	1.0
71.01363	0.9
73.02974	0.6
79.06855	0.5
80.56654	0.5
80.91999	0.5
88.01720	0.5
89.02431	2.2
91.03999	1.2
92.11751	1.2
93.03461	0.7
99.00845	0.6
116.92793	0.5
132.02171	0.7
133.02950	21.0
133.03944	0.7
134.03754	3.1
135.04526	18.4
137.02458	5.4
139.03995	0.8
147.03236	1.0
160.04066	1.2
161.02451	100.0
162.02763	0.8
162.05606	15.2
163.04089	0.6
164.08998	0.6
165.05580	8.3
166.05923	3.1
178.02722	0.8
179.03497	6.9
188.03564	0.7
206.04620	10.3
253.07196	87.2
254.07448	0.8
356.27228	0.5
459.15076	2.0
460.15051	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	460.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78514	0.1
54.82762	0.2
59.01392	1.0
61.98834	100.0
69.74387	0.2
71.01381	0.3
84.24184	0.2
88.98820	0.2
93.03433	0.2
96.95990	0.4
101.02493	0.2
108.02171	0.4
109.03001	0.3
111.42931	0.2
117.03474	0.2
134.03812	0.2
134.06026	0.2
137.02483	0.3
144.04591	0.7
145.02963	1.8
146.06134	0.9
152.01180	1.0
162.05595	0.3
172.04097	1.0
188.07227	0.2
190.05176	0.9
259.34735	0.2
337.61078	0.2
374.64752	0.2
397.14966	0.3
424.16217	1.5
461.10837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31621	0.3
56.73938	0.3
59.01375	0.5
59.98634	0.3
61.98837	0.6
66.62589	0.3
67.39828	0.3
80.91694	3.0
86.82738	0.4
88.64631	0.4
103.56806	0.4
114.09254	3.5
116.07168	100.0
116.92853	1.8
117.07516	0.5
126.09292	0.4
179.86874	0.4
197.02377	0.4
298.87250	0.4
334.31253	2.3
378.30151	67.0
379.30463	0.9
460.30444	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	461.1307
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
52.31419	0.2
55.47835	0.2
59.01373	1.7
60.55611	0.2
61.98828	0.3
61.99118	0.3
65.92534	0.2
71.01363	1.8
73.02935	0.6
73.53099	0.2
80.02686	0.3
85.02936	0.4
89.02414	0.6
96.96027	0.5
99.00865	1.6
101.02422	1.3
108.02168	35.7
116.92078	0.3
116.92846	1.3
123.04510	19.1
137.02460	0.7
152.01152	81.9
153.01794	1.6
161.04663	0.4
167.03493	100.0
168.03836	0.6
191.05617	0.6
311.07678	0.3
316.03110	0.3
317.10123	0.3
329.08826	2.5
402.59189	0.3
461.13058	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.3
57.03233	1.6
57.03458	26.6
58.24021	1.2
59.01114	2.3
59.01390	49.8
61.98835	14.4
71.01387	32.0
73.02944	7.4
83.01366	2.6
83.05061	1.5
85.02943	15.9
87.00870	1.8
88.98829	4.9
89.02443	16.5
93.03438	14.0
95.01378	2.6
96.96001	8.8
97.02918	1.5
99.00876	1.5
100.00364	1.6
101.02431	15.8
113.02450	14.6
119.03499	6.3
123.04501	2.4
123.08154	9.4
133.02960	1.8
135.04504	8.7
137.02440	23.7
148.05368	4.2
151.07661	32.1
151.11179	1.5
160.08904	2.3
161.04536	13.5
161.09715	11.6
163.07654	25.9
165.09174	10.7
168.07938	2.5
173.09657	1.8
174.55606	1.3
177.09248	8.4
179.05598	3.3
179.10788	23.6
188.08400	11.3
203.10808	71.6
221.11856	100.0
222.12195	2.1
223.66339	1.4
383.17230	5.9
401.18185	8.4
425.15948	1.4
457.98242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
57.03199	1.1
57.03453	23.3
58.29612	1.2
59.01110	1.9
59.01387	47.9
61.98819	8.5
65.07571	1.3
68.34199	1.4
71.01385	30.6
72.99290	1.4
73.02948	2.8
75.46780	1.2
83.01383	2.8
85.02942	13.8
85.83778	1.1
86.02512	1.1
87.00887	1.3
88.98787	5.8
89.02444	21.9
93.03465	20.1
95.01350	3.1
95.05022	2.1
96.75056	1.2
96.95977	5.9
99.00876	1.9
101.02438	16.7
108.93702	1.4
113.02448	12.6
119.03503	4.5
123.04477	2.2
123.08163	9.7
135.04524	9.4
135.08098	1.4
135.31212	1.4
136.14778	1.2
137.02449	28.3
139.07620	2.4
145.09154	1.3
147.04617	1.6
148.05283	1.4
151.06535	1.7
151.07654	31.4
152.07950	1.5
159.02977	1.5
160.08986	2.4
161.04562	15.2
161.09674	8.3
163.07655	28.1
164.04784	1.5
164.08415	1.5
165.09189	15.0
168.07950	1.9
173.09695	2.7
177.09174	9.8
179.05661	2.4
179.07129	1.5
179.10779	20.4
187.07552	1.4
188.08417	8.9
203.10797	80.8
221.11848	100.0
257.31348	1.4
383.17102	7.7
392.48087	1.4
401.03485	3.1
401.18179	6.0
486.71640	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99086	1.5
57.03453	2.1
58.00603	2.1
59.01387	100.0
61.51735	1.6
61.98834	72.1
63.96233	3.9
71.01382	52.7
72.99313	1.9
73.02949	14.3
74.99083	1.7
75.06540	1.9
75.19391	1.5
83.01392	4.1
85.02937	29.7
87.00880	3.1
89.02441	38.3
92.65513	1.8
93.03465	2.0
95.01357	1.9
96.96011	27.2
99.00902	3.7
101.02446	28.6
107.04908	1.7
113.02441	21.3
113.06104	2.3
117.97321	26.4
119.03514	16.3
119.05033	2.2
123.04528	6.8
131.03448	2.5
138.06873	18.4
139.07664	3.4
145.02841	2.2
151.07683	15.9
152.08490	3.0
153.09204	82.4
161.04510	13.0
165.09189	18.1
167.03503	9.4
177.57860	1.7
179.05556	8.0
203.10814	9.7
206.09471	8.0
221.11865	30.3
238.08113	2.0
239.05862	2.2
239.12880	43.9
298.03589	3.1
401.18341	15.2
425.16733	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	461.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
61.98835	0.5
71.15646	0.4
78.95483	0.6
78.95907	11.5
96.72418	0.4
102.10896	0.4
116.92847	0.7
125.00088	2.4
152.99583	5.8
181.02711	2.8
199.03760	2.4
226.33832	0.4
279.23306	100.0
280.23816	3.0
293.24847	1.8
461.26724	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	461.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82502	0.2
56.61621	0.3
59.01382	1.5
61.86065	0.3
65.43124	0.3
69.10054	0.2
78.95901	10.7
85.46782	0.3
92.12309	0.4
96.97013	0.5
125.00103	3.6
140.02292	0.3
152.99599	2.9
181.02689	1.6
199.03859	2.8
279.23318	100.0
280.23697	1.8
293.24911	3.4
297.24359	1.1
330.83444	0.3
348.96030	0.3
430.43683	0.3
461.26813	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	461.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67175	0.2
53.05940	0.3
53.44271	0.3
55.01888	0.3
55.33313	0.3
57.03468	0.3
58.00596	1.5
59.01385	100.0
65.70860	0.3
71.01378	29.6
72.99323	1.2
73.02949	0.7
78.95919	0.8
83.01368	0.6
85.02950	3.0
87.00893	1.7
89.02437	32.1
91.23381	0.3
93.06198	0.3
95.01379	0.7
101.02435	7.0
112.50605	0.4
113.02438	6.0
119.03498	4.3
131.03493	0.6
143.03511	1.4
149.04597	1.3
161.04622	2.0
165.48433	0.3
167.41466	0.3
179.05627	6.7
212.25162	0.4
281.24887	15.9
282.25217	0.7
283.26541	2.1
343.30267	1.7
345.31879	0.8
399.36655	0.5
443.35257	5.5
461.36841	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	462.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34362	0.3
59.01376	0.7
61.15642	0.4
61.98834	100.0
64.34037	0.4
69.03452	0.9
74.19972	0.4
92.11683	1.4
117.03461	1.6
119.05016	38.2
121.02935	0.8
123.04580	0.4
133.02939	8.6
134.03740	1.0
135.04517	21.6
137.02470	0.5
145.02959	14.4
159.04497	0.7
161.02443	26.3
161.06053	4.1
163.04002	39.5
167.76443	0.4
179.03473	7.5
189.22252	0.4
192.31358	0.4
197.11290	0.5
235.06146	5.7
237.07790	1.5
253.07201	20.4
270.25586	0.5
327.22031	0.5
327.99075	0.4
399.10883	81.2
427.35544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07673	0.6
55.32407	0.7
59.01385	1.8
60.99319	0.7
61.98837	1.2
71.01382	1.0
82.70859	0.7
88.51972	0.7
88.98804	3.0
91.57093	0.8
92.92820	1.4
93.03448	1.6
96.96005	1.7
105.89877	0.8
111.52351	0.8
111.99368	0.8
122.02480	100.0
135.06631	1.1
136.04024	7.9
137.02440	3.1
138.05649	1.1
194.55351	0.8
217.00269	1.0
240.21646	1.0
402.14127	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	462.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94258	0.9
58.02980	10.4
58.90278	1.0
59.01390	5.4
61.98833	6.4
64.34445	1.0
67.41049	1.0
70.02982	1.0
70.47585	1.0
72.00903	1.3
73.15045	1.1
74.02470	20.4
82.03008	1.6
86.02451	8.6
86.06122	1.5
86.99058	1.4
87.05610	7.3
90.00185	1.7
91.01872	1.4
96.96005	1.3
97.04099	2.0
98.51632	1.1
99.05630	24.0
99.99834	1.2
101.07207	3.9
102.05591	2.4
107.06145	1.5
109.04066	3.9
111.05656	1.5
112.04035	1.8
119.58621	1.0
120.01276	0.9
123.05669	1.5
125.03584	1.5
127.05151	2.2
128.03519	51.0
133.02966	1.4
134.03661	1.4
135.04541	1.2
135.05627	4.5
137.02353	1.1
141.06711	6.4
143.04613	79.9
143.08990	1.5
145.06201	1.3
146.04594	9.0
149.06070	1.7
151.00385	5.5
153.06650	7.4
160.00726	14.0
160.04033	7.5
161.02364	1.9
162.01962	5.9
162.05595	12.1
166.09866	5.9
167.04626	6.0
167.08293	2.3
177.03409	5.2
179.04623	9.7
181.06171	4.5
185.05675	1.7
188.03545	1.9
192.07820	1.3
197.05795	1.7
198.56538	1.1
206.04607	1.8
210.08829	12.7
213.90738	1.2
241.36929	1.0
242.07947	1.3
254.07823	13.9
272.08899	23.1
288.06589	7.5
299.05258	5.0
301.07083	9.0
306.07663	100.0
337.49588	1.1
342.07211	2.2
462.19144	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	462.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38661	0.6
54.82754	0.7
56.52337	0.7
58.02991	6.9
59.01383	1.3
61.98838	4.1
63.02402	3.5
65.00340	9.1
74.02481	9.8
82.02980	0.9
83.01396	8.0
86.02487	4.5
87.05637	5.0
91.01922	1.5
97.04085	1.6
99.05640	12.6
101.07193	1.0
102.05598	1.4
104.99463	0.8
107.01391	23.3
108.02168	4.2
109.04034	0.7
112.04107	1.0
123.00902	1.2
123.04544	1.6
123.05613	1.1
125.02428	3.3
125.03472	0.8
127.05120	2.9
128.03531	31.5
133.02963	0.8
134.03738	21.8
135.04507	4.2
135.05641	3.2
136.01648	6.5
137.02495	3.0
141.06686	1.3
143.03484	1.6
143.04620	45.0
144.04610	0.8
146.04620	3.3
149.02394	0.8
149.06082	19.3
150.05566	1.1
151.00372	62.5
153.06694	2.9
160.00667	9.7
160.01476	1.4
160.01869	1.5
160.04004	4.9
161.02443	2.9
162.01981	4.3
162.05606	6.1
163.05930	1.2
164.01158	9.3
165.01895	5.5
166.09827	1.0
167.04659	1.2
167.08339	1.4
169.01404	6.0
170.11815	0.8
174.03221	1.1
175.04001	2.9
177.01945	6.7
177.03455	3.9
179.04610	6.8
185.05640	0.9
188.03510	1.4
192.07776	1.2
196.00125	4.5
197.05679	0.9
199.04134	0.9
201.01868	1.5
206.04634	1.6
210.08850	8.1
228.09956	1.2
242.05675	1.0
244.62619	0.8
254.07834	8.8
257.08365	1.2
272.08896	13.1
285.04077	1.4
286.04858	1.3
288.06647	4.7
299.05429	1.0
301.07196	100.0
306.07675	59.3
313.05734	1.6
331.48401	0.8
462.19440	1.5
463.12518	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	463.1248
Annotation	Okanin 4-methyl ether 4'-glucoside
Peak:m/z	Relative Intensity
50.95889	0.3
59.01368	2.8
60.09431	0.4
61.98821	0.6
62.57959	0.4
63.02398	4.2
65.00320	7.0
71.01370	1.8
73.02938	0.6
73.45914	0.4
83.01378	6.2
85.02949	0.8
88.98775	0.4
89.02405	0.6
93.03411	0.7
96.96031	0.5
101.02412	1.9
107.00698	0.8
107.01386	17.0
108.02164	7.9
119.04997	0.8
121.02975	0.5
123.04501	3.3
125.02454	0.8
131.01300	0.5
132.02164	5.3
133.02950	1.9
134.03729	40.6
135.04517	2.2
136.01634	4.3
137.02461	1.9
149.06079	23.8
149.07053	0.5
150.03174	0.9
151.00368	50.7
151.04041	0.7
151.17055	0.5
160.01654	29.3
161.02379	0.6
162.05551	1.1
164.01157	6.4
165.01936	3.0
169.01421	2.5
175.00429	0.7
175.04004	36.9
177.01913	6.3
178.02686	0.7
193.01367	0.7
193.05042	4.3
196.00169	4.2
199.03911	0.9
201.01942	0.8
206.04564	0.6
240.04230	0.5
242.05759	0.7
255.73222	0.4
269.40894	0.5
285.04166	0.9
286.04834	2.0
297.16531	0.4
300.06619	0.5
301.07190	100.0
302.07587	1.8
343.08267	2.5
395.59741	0.5
425.17209	2.6
427.16080	36.5
463.12537	7.0
463.25601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1256
Annotation	Okanin 4-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
51.10513	0.1
56.71206	0.1
59.01380	0.3
61.98869	0.2
63.02403	3.9
64.53898	0.2
65.00330	10.9
67.57922	0.2
69.71143	0.2
77.48660	0.2
78.45058	0.2
81.66017	0.2
83.01397	7.1
92.17851	0.2
93.03476	0.3
95.01413	0.3
107.01397	21.3
108.02190	3.7
108.99329	0.2
109.02975	0.4
119.05031	1.1
121.02943	0.4
123.00932	0.3
123.04549	1.8
124.01694	0.4
125.02448	3.0
132.02165	0.2
133.02975	1.0
134.03737	20.7
135.04549	2.1
136.01666	4.1
137.02437	1.6
137.30750	0.2
143.04651	0.2
145.02928	0.3
149.02466	0.5
149.06090	15.4
149.99586	0.2
150.03168	0.2
151.00375	58.4
152.00890	0.5
158.03737	0.3
160.01663	2.2
161.02437	1.1
162.05585	0.3
164.01166	9.4
165.01927	5.1
169.01419	4.4
174.01935	0.2
174.03221	1.6
175.03999	2.2
177.01932	4.9
177.03369	0.3
191.07138	0.2
193.01448	0.4
196.00133	5.2
199.03983	1.4
200.04715	0.8
201.01958	1.8
202.02789	0.4
213.05586	0.4
214.06366	1.2
215.03557	0.8
215.07208	0.4
216.04369	0.3
217.05017	0.6
223.74225	0.2
230.24420	0.2
240.04071	0.2
241.05098	1.1
242.05855	1.7
251.03516	0.4
257.04617	0.3
257.08215	1.9
258.05252	0.3
259.06177	0.2
259.10944	0.4
268.03928	0.2
285.04034	1.9
286.04898	2.6
297.07889	0.3
299.05743	0.3
301.07205	100.0
302.07578	1.7
306.07620	0.2
313.05899	1.6
343.08453	0.4
375.62842	0.2
381.99237	0.2
463.12506	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	463.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.39030	0.4
58.99615	19.7
59.01386	7.5
63.52442	0.4
71.01035	0.7
71.01384	10.9
73.02940	2.9
76.33205	0.3
83.01377	1.0
85.02943	5.3
87.00875	13.8
89.02451	4.9
90.75517	0.4
94.01665	0.4
95.01392	0.5
96.96028	0.7
99.00907	0.8
101.02448	8.2
102.50696	0.4
102.98593	100.0
104.92863	0.4
113.02436	4.8
119.03510	2.5
124.01656	1.8
125.02446	0.7
134.03767	0.5
135.04514	0.5
139.04024	0.4
153.00204	3.4
159.02998	0.7
161.04576	5.3
167.01765	1.6
213.05917	4.3
231.66200	0.4
249.06146	4.6
276.59363	0.4
283.04956	75.8
287.41599	0.5
381.35849	0.6
396.74228	0.4
425.13748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48185	0.3
56.96941	0.3
57.03442	0.8
59.01397	2.8
61.98823	1.8
76.79059	0.3
78.95900	8.4
92.92800	0.5
97.06571	0.5
99.08166	0.4
106.44749	0.3
110.98540	7.1
111.08122	0.4
113.09736	2.7
125.09700	0.4
139.11293	0.4
152.99599	0.8
167.01193	1.7
171.10298	2.2
177.12952	0.5
179.14445	1.4
181.12337	0.5
183.13948	3.8
185.02213	5.7
195.13916	19.7
217.00327	0.6
251.23969	0.5
277.21765	18.4
293.21207	0.7
295.22812	100.0
296.23178	0.6
311.22275	3.9
316.80435	0.4
463.24744	17.9
480.25244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54478	0.5
52.76155	0.4
54.82466	0.6
59.01371	3.7
68.85872	0.5
75.00872	1.3
78.95899	16.3
82.64709	0.6
87.68698	0.6
90.35165	0.5
92.92776	0.7
96.96000	3.9
110.98532	10.9
149.00092	1.4
152.99600	0.9
167.01071	4.6
171.10266	25.3
178.54500	0.6
183.10219	2.6
183.13953	0.9
185.02217	7.0
194.98863	4.3
195.13928	6.6
217.00316	2.7
277.21735	39.4
293.21286	0.7
295.22797	100.0
311.22366	3.1
313.79990	0.6
463.11093	1.1
463.24747	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	463.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16618	0.5
52.23476	0.5
53.41825	0.4
54.60352	0.5
57.03427	0.6
59.01377	2.7
61.98828	1.3
65.27289	0.5
73.43456	0.5
78.95897	15.2
96.28333	0.6
110.98531	11.5
125.09718	0.8
127.11353	0.7
139.11304	1.0
149.00096	1.3
151.11263	0.5
152.99525	1.0
160.66457	0.6
166.41420	0.6
167.01122	6.4
171.10257	30.1
183.10307	2.7
185.02191	6.3
194.98831	3.8
195.13911	3.7
217.00296	1.0
259.20660	0.6
275.20221	0.7
277.21732	43.6
293.21173	1.3
295.22800	100.0
296.22986	0.7
311.22159	5.5
344.01447	0.6
463.11264	2.2
463.24792	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00090	0.2
57.03445	0.6
59.01389	3.8
61.98821	0.8
70.32377	0.3
71.01365	0.3
78.95895	8.3
102.81564	0.3
110.98537	7.0
113.09725	2.9
115.12058	0.3
133.28459	0.3
134.03795	0.4
152.99606	0.5
157.08679	0.5
167.01189	2.4
177.12860	0.4
179.14401	0.7
181.12332	0.4
185.02211	5.3
195.13905	23.8
217.00278	1.5
225.16359	0.3
259.21060	0.3
277.21710	23.9
295.22797	100.0
296.23035	2.1
297.48087	0.3
358.53030	0.4
403.15460	1.3
463.24734	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	463.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.6
59.01103	1.7
59.01381	30.7
61.98828	8.7
64.34033	1.0
76.57172	1.0
78.95897	21.7
92.12304	1.4
92.64938	1.2
94.77279	1.0
96.96957	8.9
99.08147	5.3
116.92837	1.4
129.09206	5.9
145.02951	2.5
148.66928	1.0
155.10762	1.3
169.12361	5.8
171.10265	4.9
181.12376	6.4
183.13857	1.1
197.11877	1.5
199.13390	17.2
201.11313	5.2
207.06709	2.1
211.13417	17.9
214.61673	1.1
217.00322	2.6
227.46806	1.4
229.14491	1.2
261.86630	1.1
271.04025	1.8
273.05789	2.6
275.20291	2.0
285.05814	1.6
293.21271	4.8
301.15909	1.3
311.22281	36.6
329.23343	100.0
403.15759	14.2
403.27206	1.6
427.13705	4.5
463.21057	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	464.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85084	0.1
59.01405	0.2
59.75435	0.1
61.98833	100.0
76.57390	0.2
92.65620	0.2
101.12814	0.2
109.52213	0.2
125.66570	0.2
173.97331	0.2
251.40906	0.2
289.20761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21209	0.2
59.01385	1.0
61.98838	100.0
78.95900	1.7
82.95432	0.4
86.07136	0.2
134.03732	0.3
144.15070	0.2
155.89990	0.2
183.77605	0.3
193.05177	0.2
201.11295	0.3
286.52011	0.2
329.23624	0.3
387.07385	0.3
401.11310	0.4
411.62305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01418	0.2
57.79083	0.2
59.01392	1.5
59.96853	0.3
61.98835	100.0
62.39477	0.2
66.77469	0.2
68.39028	0.3
79.28014	0.3
92.12370	0.6
92.22848	0.3
95.74063	0.3
96.96014	1.5
101.02442	0.4
107.25726	0.2
129.27718	0.3
334.65442	0.3
366.62961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2259
Annotation	Fissistin
Peak:m/z	Relative Intensity
57.03453	0.3
59.01395	1.0
59.04803	0.2
61.98556	0.3
61.98830	3.3
69.03475	0.3
71.04620	0.5
71.05019	16.0
78.95901	100.0
96.96953	9.8
102.85798	0.3
105.12240	0.2
119.05080	0.3
132.02180	0.4
133.02937	0.7
134.03723	0.4
140.58626	0.3
149.05984	0.3
150.98041	0.6
151.11278	2.0
152.99579	35.5
160.01648	2.4
171.00627	33.2
175.03978	1.9
183.10286	2.5
200.00870	1.5
205.19484	0.3
213.11334	9.4
213.13351	0.5
215.03331	1.1
234.05432	0.4
235.06108	1.0
261.22211	1.7
292.50812	0.3
330.23355	0.4
373.17712	1.3
391.18637	0.5
403.28555	1.5
421.29553	3.6
435.07098	0.5
450.09479	0.6
465.12494	4.3
465.22574	39.8
466.22934	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2264
Annotation	Fissistin
Peak:m/z	Relative Intensity
59.01371	0.6
61.98830	4.1
62.96405	1.2
64.15413	0.5
65.51457	0.5
65.76530	0.5
68.07296	0.5
75.84621	0.5
78.95901	100.0
96.95975	0.6
96.96967	8.2
101.09138	0.5
148.67769	0.5
152.99591	47.9
159.04150	0.6
167.77966	0.6
171.00644	19.6
173.00101	1.1
272.45721	0.5
373.17862	2.1
405.16830	0.8
439.10568	0.6
465.15909	1.8
465.22629	46.5
466.23236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.6
59.53264	0.3
61.98835	18.6
75.75626	0.3
78.95902	100.0
87.93890	0.3
89.08680	0.4
92.11794	0.7
96.96959	7.5
97.26776	0.3
112.84271	0.4
120.52947	0.3
141.53163	0.3
150.98016	1.9
152.99593	63.9
156.44974	0.3
162.05641	0.5
162.87857	0.3
169.12294	0.5
171.00630	5.9
212.13765	0.4
285.12738	0.6
293.21072	0.7
322.54160	0.4
329.23276	1.9
330.23596	0.7
331.23880	1.3
367.55859	0.4
422.17526	0.4
435.12952	0.4
465.14807	3.9
465.22589	48.6
466.22595	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87457	0.4
61.98831	1.0
78.95909	8.4
82.95378	0.4
110.98534	5.6
120.36843	0.7
123.96545	0.5
141.12840	0.5
155.10797	2.7
167.01172	2.0
171.10278	5.3
185.02185	3.6
208.85100	0.5
279.23276	12.3
295.22849	0.9
297.24365	100.0
298.24716	2.8
333.86108	0.5
465.26270	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	465.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32156	0.1
55.17636	0.2
61.98842	100.0
64.34491	0.2
133.29610	0.2
147.04558	0.3
159.23209	0.2
164.07213	1.1
242.22192	0.2
279.23962	0.2
294.91428	0.2
402.30453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25483	0.8
59.01383	70.6
61.98837	13.5
72.37095	0.8
78.95898	73.2
80.53899	1.0
91.03984	5.5
92.12401	1.0
93.03484	1.8
96.96929	8.3
119.05016	5.3
127.11250	2.2
133.02953	4.7
134.03731	19.0
135.04610	6.6
137.02451	1.4
145.02963	4.2
149.06062	1.4
152.99568	9.8
155.10757	1.0
157.12384	2.1
160.01608	1.2
161.02477	6.5
161.06189	1.0
163.03954	4.1
175.04034	3.2
179.03516	1.3
193.05052	10.9
235.06036	1.3
253.07147	2.2
288.95648	1.1
313.23880	11.3
329.23517	3.2
331.24927	100.0
332.25174	0.9
424.29825	1.0
429.11938	16.7
430.12155	1.9
465.14603	9.0
465.22504	20.3
466.22433	1.2
468.85440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	3.2
72.00905	4.2
72.04549	3.7
74.02470	58.8
93.21710	0.5
116.05055	41.3
116.92860	1.0
125.55483	0.5
130.06599	3.7
142.06625	7.8
143.33838	0.5
159.09285	7.7
174.57016	0.5
186.05586	0.8
203.08287	45.3
204.08609	0.6
290.24924	0.8
292.26489	1.2
318.24399	6.9
336.25574	11.5
344.44543	0.6
421.32227	3.9
465.31265	100.0
466.31415	4.8
483.90817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.7
62.86091	1.3
65.65666	1.4
78.95916	2.8
84.86858	1.4
97.46556	1.7
116.92839	2.3
123.39428	1.5
125.09708	3.6
139.11298	2.4
152.99570	3.2
167.10741	7.9
171.10291	13.8
187.09703	2.9
207.93953	1.7
211.05116	1.5
211.67172	1.6
278.53415	1.9
293.21268	7.4
296.30875	1.9
311.22269	100.0
339.30280	1.6
386.47357	1.8
465.32236	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	465.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71122	0.4
59.01381	1.0
59.57942	0.4
61.98824	0.6
63.31085	0.4
65.99734	0.4
91.07327	0.5
100.52309	0.4
116.92829	0.7
128.10788	2.0
130.08722	100.0
135.99010	0.5
137.15811	0.4
139.10910	0.5
161.77608	0.5
175.60696	0.5
239.28203	0.6
303.23160	0.9
348.32782	2.3
392.31714	67.6
393.31937	0.8
421.31274	0.5
452.50177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81976	0.2
56.06213	0.1
61.98825	0.3
78.95910	0.4
79.95750	1.3
96.96010	100.0
120.04546	0.2
146.06136	0.2
147.03261	0.2
160.04012	1.8
162.05617	11.2
188.03584	0.9
206.04594	7.8
206.06444	0.3
234.04396	0.2
244.00203	0.7
368.09851	5.6
384.08112	0.2
392.38043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82756	0.2
55.40829	0.2
55.91826	0.2
58.97999	0.2
59.01380	0.4
61.98833	0.3
68.77428	0.2
72.19619	0.2
76.07361	0.2
78.24831	0.2
91.05547	0.3
92.11666	0.6
93.03439	1.3
98.39099	0.2
112.43810	0.2
117.03474	3.1
118.20464	0.3
119.05013	100.0
120.05306	0.4
121.02972	1.9
132.02167	1.0
132.05795	3.0
133.02948	4.8
133.06577	0.4
134.03723	22.5
135.04515	16.6
136.36906	0.3
137.02444	1.4
139.04062	0.4
145.02954	8.9
146.03650	0.3
147.04514	1.9
148.05283	3.7
149.06064	8.6
159.04465	0.3
160.01662	7.6
160.04015	1.5
160.05336	0.3
161.02438	11.4
161.06058	7.5
162.03191	1.2
162.05592	2.5
163.04106	0.3
174.05589	1.5
175.02580	0.4
175.03995	8.6
175.07771	0.3
176.03506	1.1
178.05063	2.2
188.07201	1.5
189.04303	1.5
190.05161	1.6
190.08765	0.4
193.05113	0.3
194.02161	0.9
204.06647	3.5
204.10295	0.4
205.11107	0.5
218.08240	0.3
231.11458	0.3
233.12982	0.4
247.10875	1.5
249.12509	1.5
252.85126	0.2
261.12378	2.8
275.13962	2.7
288.17288	3.2
289.15634	0.4
290.18747	16.8
304.16724	8.3
304.20264	1.0
305.17416	8.8
306.18124	0.3
316.16617	4.7
319.81784	0.3
320.19781	4.3
331.15411	8.1
332.16156	1.3
346.17749	17.3
346.43536	0.3
366.19797	0.3
450.20380	1.2
451.21204	1.3
466.23483	94.9
467.23981	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09820	0.1
53.11153	0.1
59.01390	0.1
61.98832	100.0
63.78158	0.1
66.20544	0.1
76.56953	0.2
76.75174	0.1
78.95903	2.7
82.98231	0.2
92.65046	0.2
120.01246	1.2
121.02959	0.2
128.64098	0.1
129.90366	0.1
147.17683	0.1
151.66924	0.2
152.99594	2.8
153.99908	0.3
156.92033	0.2
189.31409	0.2
245.50366	0.2
291.19754	0.3
309.20746	0.9
352.62943	0.2
466.23575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22708	0.1
54.01527	0.1
56.05133	0.1
61.98835	100.0
74.11665	0.1
78.95892	0.4
111.76613	0.2
122.66582	0.2
249.19048	0.2
298.50928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98838	100.0
71.76891	0.1
78.95894	1.2
120.01237	1.0
124.35795	0.1
138.51932	0.1
152.99609	1.2
221.92784	0.1
291.19760	0.3
309.21045	0.6
372.64792	0.2
466.16052	0.2
466.22656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41886	0.3
50.81014	0.3
51.57602	0.4
61.98836	100.0
78.95901	4.0
96.96034	0.5
96.96976	0.4
110.73454	0.5
115.18627	0.4
120.01253	5.5
130.08740	4.3
152.99609	3.3
168.31213	0.4
168.32678	0.4
201.30267	0.4
243.70123	0.4
244.50664	0.4
270.23810	0.5
300.84991	0.6
350.93564	0.4
466.23099	0.7
466.32028	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	467.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07018	2.1
54.73175	2.3
54.82727	2.2
55.28401	2.2
57.69891	2.2
59.01380	20.6
61.98837	52.2
69.03453	4.5
70.54617	2.2
71.27728	2.1
73.73165	2.4
93.29213	2.4
95.05029	4.4
96.44583	2.8
97.02950	25.5
106.83606	2.4
112.81290	2.7
125.18291	2.8
136.64822	2.8
161.70502	2.6
174.99243	10.2
189.97890	3.3
223.32108	2.7
267.09048	3.7
279.09091	18.9
309.10190	19.4
321.06424	4.1
321.10251	100.0
323.08377	3.2
323.11694	17.9
334.87677	2.7
338.10577	4.5
347.15503	6.1
407.17615	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70057	0.2
59.01379	0.4
61.98833	100.0
119.05032	0.7
128.57864	0.2
144.04588	0.2
146.06120	0.3
162.05634	0.8
175.58542	0.2
188.03554	0.2
190.05232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1516
Annotation	Indol-3-ylacetyl-myo-inositol L-arabinoside
Peak:m/z	Relative Intensity
51.13152	0.6
52.62703	0.6
54.82082	0.6
55.01897	0.9
57.03461	1.8
58.00588	0.9
59.01388	51.2
61.98827	1.3
69.03468	1.7
71.01388	42.5
73.02948	3.2
81.03461	0.8
82.43588	0.8
82.95417	0.9
83.01398	3.9
85.02963	17.8
87.00877	5.3
89.02448	63.9
97.02946	6.0
99.00884	4.1
99.04543	0.9
101.02451	10.4
109.02996	1.0
109.69615	0.9
113.02430	7.4
125.02447	25.4
128.05064	6.1
130.06621	100.0
131.03482	8.5
131.06932	1.2
135.04517	1.5
137.38202	0.7
141.01894	0.9
143.03491	15.3
146.06116	12.7
149.04547	19.3
156.04507	6.6
161.04556	49.2
173.62039	0.9
174.05602	81.1
179.05623	7.7
188.07191	1.1
203.05685	4.4
245.06635	1.6
246.07620	1.1
251.07683	4.1
293.08847	12.1
311.09869	65.9
319.73788	0.8
451.28021	0.8
468.15302	5.5
468.21188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21597	0.8
59.01367	3.8
61.98823	4.3
71.01363	2.0
75.84922	0.8
78.86219	0.7
82.85853	0.9
85.02943	0.9
87.00887	1.2
89.02431	0.8
92.11858	0.9
93.03482	1.4
93.85168	0.9
94.79786	0.8
99.00887	1.3
113.02470	1.0
116.05074	1.9
128.03499	1.1
128.05055	4.2
131.03798	6.1
132.04550	10.2
143.04704	1.0
144.04552	28.6
146.06117	100.0
147.06467	1.2
158.06111	1.4
160.04048	5.0
161.02434	0.8
162.05585	20.8
170.06136	6.6
172.04054	26.1
186.05566	1.9
188.03543	4.2
190.05104	70.8
191.05437	1.4
206.04593	10.6
208.47298	0.8
214.05112	3.7
232.06166	12.2
236.10016	0.9
245.05234	0.8
262.07138	4.6
292.08365	6.8
460.73358	1.0
468.15128	60.9
469.15546	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	468.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
61.98824	0.5
63.36046	0.3
71.01381	2.1
75.00893	0.4
83.01329	0.3
85.02956	0.4
87.00883	1.8
89.02464	0.8
92.11710	0.7
94.47911	0.3
99.00867	1.3
101.02446	1.9
110.26688	0.4
113.02493	0.4
116.05053	1.6
119.05032	3.5
119.05782	0.4
120.05360	2.0
128.05075	3.9
131.03754	5.8
132.04544	8.1
133.02916	0.5
133.05081	0.6
134.03740	2.5
135.04440	1.6
136.04874	0.7
144.04546	27.1
145.02930	0.6
146.06116	100.0
147.06511	1.4
149.06088	0.7
158.06094	3.8
160.04099	1.3
162.02757	0.6
162.05565	6.5
170.06119	5.5
172.04039	25.4
186.05621	2.3
188.03661	0.5
188.07088	0.4
190.05103	78.2
191.05392	2.4
206.04570	0.6
214.05107	4.0
232.06128	12.8
233.06604	0.5
262.07172	2.8
291.18991	0.4
292.08282	7.4
295.10202	0.5
305.17252	0.6
306.17111	0.4
317.16870	0.4
358.55322	0.5
369.77304	0.3
467.23837	3.5
468.15134	57.3
468.23944	4.3
469.15457	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	468.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28460	1.7
51.52305	1.5
54.82372	2.1
59.01382	3.7
61.98831	26.4
63.70623	1.7
69.29315	1.7
71.01392	2.0
71.39776	1.6
90.26208	2.0
96.96011	8.9
108.02214	2.8
109.02946	2.9
123.09097	2.2
132.02148	2.5
132.04549	4.2
134.03731	4.8
136.68542	2.1
136.93414	2.1
137.02469	2.3
144.04536	3.6
147.04503	3.2
149.06027	2.7
160.04059	94.6
160.06357	19.7
161.04826	29.1
161.07185	8.5
162.05612	44.8
172.04010	2.3
175.09735	2.9
184.04085	2.7
186.05608	8.0
206.04623	9.5
212.03577	2.9
232.14577	34.7
246.10138	4.9
247.10893	2.1
248.11641	10.2
252.06557	2.4
258.12521	2.4
261.12482	19.7
263.13934	10.1
266.08231	7.7
276.06635	7.8
278.08194	2.1
279.05408	3.5
280.06125	9.8
287.12762	2.3
288.13510	3.6
292.06354	4.2
292.09610	4.5
293.06909	3.8
294.07712	35.2
295.08514	63.7
308.09274	2.1
310.10876	19.1
336.08722	4.3
354.09790	4.7
366.15366	2.8
380.16025	3.7
381.18011	2.5
390.14664	12.6
391.15573	4.6
406.17728	3.5
408.15665	18.7
409.16666	17.5
422.17038	2.8
424.18878	89.7
431.85580	2.0
468.17804	100.0
469.17969	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	468.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82679	0.2
59.01375	0.3
60.65707	0.2
61.98795	0.3
63.03851	0.2
75.31781	0.2
88.85574	0.2
91.05508	0.3
93.03431	0.3
96.95985	1.4
107.05025	1.4
114.24947	0.2
123.04463	0.3
133.02933	4.1
134.03757	3.0
135.04512	100.0
136.04831	1.0
142.91321	0.2
148.05313	1.9
160.04042	0.4
161.01088	0.5
161.02443	14.0
161.06039	0.4
162.02730	0.2
162.05455	0.7
163.03966	0.3
174.05695	0.2
175.07768	0.2
178.05064	0.2
188.03566	0.3
190.05246	0.3
204.06635	0.5
205.60561	0.2
226.26738	0.2
247.10890	0.5
249.12489	0.3
264.17136	1.8
264.26682	0.3
289.15613	2.2
298.84695	0.2
306.18243	35.6
307.18686	0.3
311.09802	0.3
312.10983	0.2
329.82489	0.2
332.16193	17.9
333.16675	0.4
403.12238	0.2
413.93576	0.3
418.21149	0.2
432.10458	0.3
468.21402	49.2
469.21747	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	468.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86957	0.7
66.03489	1.3
70.81325	0.7
72.99295	1.0
84.94362	0.7
98.31007	0.7
99.91952	1.2
99.92592	32.0
100.07687	1.6
100.92749	1.1
100.93362	9.1
115.23669	0.7
115.92075	100.0
116.92134	1.9
116.92875	17.4
123.46162	0.7
125.92860	1.1
129.05548	4.7
130.21698	0.7
212.98656	3.5
216.98148	4.1
237.22264	4.6
244.38652	0.8
366.30231	1.0
422.23679	1.4
438.23453	1.1
453.28351	1.1
468.24255	58.7
469.24625	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44772	0.2
59.01379	0.6
61.25103	0.3
61.98833	100.0
74.45206	0.2
81.42628	0.2
118.18504	0.3
128.62520	0.3
134.03708	0.3
135.19705	0.3
137.02466	0.3
176.01204	0.3
176.31851	0.3
278.14835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67953	1.0
59.01382	18.8
63.64598	1.1
71.01385	13.7
72.28477	1.1
72.43582	1.0
75.97205	1.1
89.02439	7.7
93.03443	7.4
101.02436	4.9
113.02477	4.5
116.05073	1.3
117.03448	13.5
119.03582	2.5
119.05018	85.1
121.02937	8.5
123.04552	1.1
128.03522	1.9
131.04903	1.7
132.05803	8.6
133.03020	2.0
133.05611	2.3
133.06586	38.3
134.03702	2.3
135.04556	4.3
136.01685	1.3
145.02956	71.4
146.06169	1.7
147.04524	3.0
149.04968	1.2
149.06097	5.2
159.04424	1.4
161.02435	7.5
161.06078	78.2
162.05545	2.2
163.04010	100.0
172.04060	2.6
172.44928	1.5
177.05571	37.9
205.05074	72.0
230.67107	1.3
235.06073	17.5
253.07042	1.9
265.07184	37.4
323.13486	27.5
343.14447	1.2
433.20856	2.2
469.17188	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	41.7
60.99326	14.2
61.98830	4.9
71.01386	22.4
77.14789	1.8
78.95916	2.2
85.02935	3.3
85.06597	20.4
88.98801	88.2
89.02444	20.8
99.08153	4.2
101.02435	14.0
110.98557	2.4
113.02455	9.7
113.06120	3.5
116.92870	2.9
117.03454	3.7
119.03513	8.3
119.05016	46.0
131.07129	71.7
133.02965	15.6
134.03731	58.6
135.04541	2.9
142.24281	2.0
143.04584	1.9
145.08725	25.2
149.06100	10.9
160.01645	32.4
161.02443	47.0
161.06139	2.7
163.03931	3.2
175.04007	36.9
176.04770	9.9
178.02774	1.8
193.05023	27.4
205.05096	2.9
235.06049	3.8
259.10828	9.5
269.92526	2.1
293.12442	100.0
307.14026	39.0
348.31506	2.0
357.13583	3.6
379.16464	9.5
391.47864	2.1
418.81522	2.0
469.17105	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03450	0.6
58.00594	0.7
59.01384	27.0
59.01688	0.9
59.21645	0.4
71.01375	22.4
72.99323	0.6
73.02941	7.8
75.00839	0.7
77.37733	0.4
82.95411	12.3
83.01385	2.2
85.02947	7.2
87.00865	5.1
89.02432	17.3
92.66358	0.5
95.01384	1.1
96.95996	16.1
97.02915	0.8
99.00871	1.0
99.08145	28.9
101.02429	20.1
105.08492	0.4
113.02441	10.2
119.03481	7.3
121.02963	0.5
125.02431	0.9
127.07618	2.6
129.09225	0.9
131.03459	6.1
137.62541	0.4
141.09213	1.9
143.03516	2.0
145.08698	62.9
149.04637	0.5
161.04530	7.7
178.54646	0.5
179.05597	3.8
221.06641	8.2
307.13904	1.0
371.10025	0.5
384.02127	0.5
469.19299	100.0
470.19821	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	469.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82851	0.4
55.01887	0.8
57.03431	0.7
58.00579	0.6
59.01387	27.5
61.98835	0.8
68.99560	3.0
69.03427	0.5
71.01383	27.3
72.99290	0.9
73.02953	7.3
81.03447	6.9
82.95383	1.8
83.01364	3.4
83.05028	22.2
85.02957	7.6
87.00862	5.3
89.02437	22.4
95.01365	1.2
96.95988	3.9
99.00877	2.3
99.08153	29.1
100.07670	6.0
101.02435	19.0
112.98566	1.2
113.02442	11.8
113.09709	0.5
119.03490	7.5
125.02397	1.0
127.07590	2.2
129.09181	2.1
131.03476	7.1
134.03731	0.8
135.04521	21.8
136.04840	7.1
137.02440	0.7
141.09207	2.2
143.03503	0.6
143.10680	0.7
145.08713	63.9
146.06104	2.3
149.04579	0.7
159.02859	0.8
161.02417	3.0
161.04541	9.3
162.02769	0.6
162.05566	0.8
167.03592	0.5
179.05637	4.7
190.05054	0.6
191.05534	0.6
193.04884	0.5
199.18140	4.0
221.06712	7.4
224.17766	1.9
225.16096	2.5
243.17171	12.1
251.21658	0.5
306.18289	3.7
307.13809	1.9
307.18610	4.4
332.16153	2.1
333.16479	2.8
341.29199	0.6
353.20898	1.1
373.01880	0.5
377.17169	0.6
468.21350	2.0
469.19305	100.0
469.33899	48.1
470.19836	4.4
492.61157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82497	1.9
55.01881	7.5
56.72765	1.7
57.03451	2.8
59.01386	100.0
61.98833	2.0
65.18238	1.3
67.48171	1.5
69.20844	1.5
71.00986	2.6
71.01382	80.3
72.99290	3.5
73.02936	19.8
83.01391	7.2
85.02945	30.7
87.00862	7.6
87.83572	2.1
89.02434	64.9
95.01389	2.6
96.95994	12.3
98.95567	12.0
99.00882	6.9
101.02431	66.9
108.25506	1.8
113.02438	35.8
114.61739	1.6
115.92075	3.0
116.92822	2.1
119.03481	25.4
125.02406	4.0
131.03496	6.9
143.03520	3.8
149.04555	2.0
149.23454	1.6
161.04533	19.5
162.05589	2.6
179.05600	40.4
221.06589	15.4
247.11945	7.2
341.10712	4.0
406.44135	1.7
409.17194	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01106	1.1
59.01386	19.3
59.53771	0.5
69.03447	1.7
74.11366	0.6
82.95410	1.4
83.05019	0.9
92.11742	0.8
95.05022	1.0
97.02940	7.5
99.08116	1.5
100.62417	0.7
113.09719	1.0
116.92902	0.8
126.02362	0.6
131.66656	0.6
132.98192	1.2
137.09605	0.7
139.11308	9.8
143.00282	0.8
171.10263	3.2
173.01312	1.4
174.99226	2.9
177.02269	0.8
185.01295	2.6
189.98058	0.9
199.02895	2.6
211.02884	1.2
225.04533	5.2
227.06058	10.8
237.04384	2.7
239.02402	0.9
239.05983	3.3
241.07715	5.9
245.04958	2.6
249.04381	0.8
249.08066	0.7
251.06091	0.7
261.04529	0.9
263.06042	7.1
265.04752	0.8
265.07608	26.1
267.09177	25.5
269.07095	28.2
279.09106	0.8
281.07169	1.1
283.08676	8.8
291.09235	1.2
293.21265	0.8
295.08514	1.2
307.08984	0.7
309.06973	3.0
309.10226	64.5
310.10846	0.8
311.08249	1.4
311.22156	1.4
333.24188	0.7
347.15399	3.9
349.16928	6.0
391.18130	6.4
409.19141	100.0
410.19540	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	469.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23433	0.6
55.93642	0.7
59.01386	13.6
63.10922	0.8
67.92709	0.8
69.03459	5.9
72.30119	0.8
75.24262	0.8
83.05031	1.0
97.06554	1.2
100.56451	0.8
121.02941	4.2
121.06570	1.6
139.11299	12.2
141.01726	0.9
149.31116	1.0
154.42323	0.8
164.83644	0.9
165.01927	5.0
173.01395	1.1
174.99232	3.5
184.09163	0.9
185.01283	1.2
189.97984	1.5
200.00058	1.6
211.13399	1.4
224.00125	1.3
225.04410	1.5
227.06111	4.3
237.04562	1.5
239.02328	1.7
239.06004	5.2
241.07567	14.2
251.05937	1.2
253.07619	1.5
258.00620	2.0
263.06058	1.5
265.07639	6.3
267.05750	2.8
267.09131	10.8
269.07147	14.6
279.09177	5.7
281.07019	1.4
283.08630	31.7
291.05246	0.9
293.21338	1.7
295.08661	2.1
309.10208	4.6
319.08548	3.3
327.12979	1.1
329.14355	1.6
345.13974	1.2
347.15393	23.3
349.16986	48.3
350.17468	1.2
365.16415	3.1
391.18060	100.0
392.18066	3.0
393.15973	1.9
409.19141	78.8
410.19315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01135	1.7
59.01391	18.1
61.98830	1.7
72.75091	1.1
74.81686	1.2
77.04416	1.2
82.95439	14.9
97.02942	2.4
132.98270	1.3
134.42413	1.5
139.11296	8.0
171.10262	1.4
225.04507	2.5
227.06081	7.3
237.04483	1.7
241.07610	3.1
243.48265	1.5
245.05168	1.4
247.06482	1.4
263.05975	2.8
265.07642	18.1
267.09201	15.9
269.07092	19.5
283.08630	5.4
309.06958	2.5
309.10257	39.7
311.08481	1.9
319.15988	2.5
326.01776	1.5
347.15173	1.7
349.17065	41.7
349.21219	1.7
391.18268	3.1
409.19141	100.0
410.19788	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.1
60.22874	1.0
66.64584	0.8
93.85959	0.9
100.26651	1.1
110.93658	1.0
115.03991	1.0
125.09698	2.0
139.11290	4.5
152.99612	2.0
159.55249	1.1
171.10298	1.3
173.01315	2.3
185.01352	1.9
185.61652	1.0
187.03001	1.1
187.09789	1.3
211.02974	1.3
227.06093	1.2
237.04446	7.4
239.06082	13.2
241.07620	31.1
241.09886	1.9
253.07660	2.1
255.09055	1.2
265.07501	4.3
267.09045	1.5
269.07053	5.1
283.08673	100.0
284.09076	1.3
285.06644	4.1
295.08749	2.2
309.10275	12.0
348.21707	1.3
409.19177	19.3
435.24573	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	469.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.2
66.04865	0.7
67.12782	0.8
67.39359	0.7
71.01392	6.4
78.95898	3.0
109.25763	0.8
120.29159	0.8
147.96942	1.3
152.99611	4.7
153.48547	0.9
173.98418	1.0
183.01201	0.8
183.34937	0.8
201.98030	3.3
213.00856	0.9
241.00351	15.6
241.21751	6.8
255.01952	1.3
256.02655	1.7
259.98499	3.2
265.15741	0.9
269.03513	2.0
270.04236	4.6
274.00043	1.0
298.07364	100.0
311.16998	3.0
311.22247	1.3
312.08862	3.1
409.19098	22.4
435.24646	1.2
469.25839	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	470.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86037	0.9
55.40533	1.1
55.40825	1.0
58.02989	9.7
59.01382	1.5
61.98822	1.6
63.73530	1.0
64.59906	1.0
66.81549	1.0
74.02473	15.1
82.02963	1.4
86.02498	6.7
86.06126	1.3
87.05629	4.7
87.71554	1.2
90.00210	1.7
92.65106	1.4
96.96005	22.0
97.04067	1.6
98.01161	1.2
99.05624	18.3
100.02298	1.4
101.07181	2.0
102.05595	1.4
109.04097	1.6
112.04031	1.5
116.92845	2.8
119.05017	15.5
127.05129	2.8
128.03529	40.7
128.28693	1.4
135.05623	1.5
138.05579	1.9
141.06700	5.8
143.04622	65.5
143.05698	2.7
145.06230	2.0
146.04601	6.4
153.06749	5.1
160.00719	14.4
166.09845	1.7
167.04639	5.3
167.08295	1.6
177.03433	4.9
179.04616	11.5
185.05623	1.4
210.08833	13.8
254.07825	10.8
272.08936	18.1
288.06613	6.0
306.07703	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	470.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09883	0.1
59.01376	1.0
71.01369	0.9
75.53693	0.2
82.02996	0.4
84.04579	0.2
89.02435	1.2
101.02453	0.2
105.58836	0.2
107.68487	0.2
113.02438	0.3
119.03522	0.3
128.03534	100.0
179.05591	0.3
194.25052	0.2
274.42969	0.2
341.10904	2.4
369.14142	0.2
470.15472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56564	0.3
58.00607	0.5
59.01105	0.6
59.01387	11.8
60.01722	0.4
60.14042	0.3
63.27691	0.3
63.40422	0.3
64.32274	0.3
67.37735	0.3
70.10873	0.4
71.01382	6.8
73.02937	1.8
75.84105	0.3
81.03452	0.4
82.95402	2.0
83.01398	0.4
84.61057	0.4
84.95110	0.4
85.02958	4.0
89.02439	7.9
92.11761	0.4
95.01340	0.5
96.96005	0.7
101.02421	4.6
103.03979	1.4
113.02441	3.8
116.05048	21.2
119.03501	1.9
125.02462	0.5
128.05052	4.2
130.06613	1.9
131.03749	6.6
131.06966	0.8
132.04518	0.5
135.06619	4.2
143.03532	0.6
144.04541	51.0
145.04861	0.6
146.06111	100.0
147.06473	1.3
160.04015	7.7
161.04524	0.6
162.05611	19.9
165.01964	0.4
170.06177	0.5
172.04034	44.1
174.05573	0.9
175.05916	0.4
179.05655	0.6
188.03545	0.6
190.05092	59.4
191.05376	0.5
204.99641	0.5
214.05258	0.4
232.06171	0.6
236.04738	0.5
292.08377	0.6
297.11929	4.0
311.10373	0.4
312.10434	0.5
313.10233	0.8
441.11075	0.4
470.16684	53.0
471.17154	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55136	1.4
59.01384	44.8
59.67375	1.5
61.98832	7.2
64.34431	1.8
71.01381	22.2
72.99328	2.2
73.02939	2.2
80.37405	1.8
82.86306	1.6
83.14542	1.7
84.04540	3.0
85.02916	2.9
89.02432	18.4
101.02435	4.0
107.89972	1.8
108.02165	1.8
109.04065	10.8
113.02444	7.2
117.03493	6.8
119.03484	3.4
119.04981	13.2
121.02944	2.2
125.03545	2.2
127.05138	37.6
128.03520	3.2
132.02148	2.3
133.02916	16.2
134.03735	96.2
135.04497	11.0
137.02489	2.8
139.77838	1.8
145.02934	3.1
145.06197	59.8
146.06140	4.4
147.04510	18.9
147.06467	2.9
148.05278	9.3
149.06070	19.0
151.03952	2.3
158.03705	4.1
160.01630	22.4
160.03915	3.4
161.02449	13.3
161.04529	2.1
162.05594	3.2
173.06090	2.8
175.04005	35.8
176.04791	53.2
177.01962	12.4
177.05370	2.3
178.02725	10.1
190.05101	2.4
191.05537	2.7
191.07118	51.6
192.04239	4.0
193.05058	85.8
207.06664	29.6
220.03773	12.0
231.10196	4.1
235.06104	100.0
236.06445	2.7
265.07135	16.6
295.07639	4.4
295.10794	21.8
434.20969	3.8
435.21460	16.1
436.22482	7.3
453.22473	3.9
471.15152	91.0
471.23459	63.6
472.15506	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.6
59.01388	12.8
61.74249	0.4
61.96124	0.3
71.01387	9.3
73.02964	3.1
78.86764	0.4
78.95895	0.9
82.95397	0.5
83.01393	0.7
83.05045	3.5
85.02963	2.0
87.26781	0.4
88.36584	0.3
89.02438	4.2
93.03471	1.5
96.96072	0.4
97.02917	0.6
101.02438	5.0
108.02170	0.7
109.02927	0.7
113.02434	2.1
117.03448	0.6
118.87025	0.3
119.05019	84.1
120.05386	0.8
127.04069	0.8
133.02911	3.4
134.03720	0.6
135.04520	0.7
136.01660	2.9
137.02448	0.4
138.06857	0.5
140.94926	0.4
145.02940	1.6
145.05043	4.3
151.03973	1.6
152.08469	0.8
153.09261	3.3
160.01601	0.5
161.02431	2.1
161.04494	0.5
162.05579	0.8
163.04012	100.0
169.09770	0.4
175.03889	0.6
177.01968	0.7
205.12270	0.6
223.13329	0.6
295.10361	0.5
307.10452	0.6
313.10681	0.7
319.12906	0.7
325.07867	0.8
325.11456	19.8
364.01031	0.5
411.12653	0.8
453.16537	0.7
471.15015	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30004	0.8
51.37424	1.0
55.01875	0.9
59.01110	1.7
59.01387	30.2
63.55335	1.0
71.01379	17.2
73.02958	1.3
77.92388	1.0
78.95879	1.1
83.01360	1.0
85.02953	4.6
89.02435	15.5
93.30767	0.9
96.96013	4.5
98.95550	1.4
99.00883	1.9
101.02440	9.1
103.04026	2.1
113.02433	6.4
117.03425	7.5
119.03478	6.2
119.04966	1.8
121.02964	1.4
132.02081	2.2
132.04588	1.0
133.02974	12.1
133.05037	1.7
134.03737	86.0
135.04543	9.5
136.01656	4.6
137.02444	2.0
137.28447	1.0
147.04520	16.7
148.05309	12.3
149.02423	1.8
149.06099	14.4
151.04007	1.9
158.03748	6.6
160.01675	21.6
160.03996	4.9
161.02437	7.6
162.05623	16.1
162.06831	2.0
163.04042	2.1
163.07660	1.7
164.04794	4.5
173.06078	2.4
174.03265	3.8
175.03998	34.1
175.05511	1.3
176.04787	51.8
177.01924	12.2
177.05415	1.5
178.02725	9.0
188.03505	4.1
189.05595	1.4
191.07155	56.0
192.04280	6.9
193.05063	78.5
206.04486	8.7
207.06665	21.9
217.05045	1.3
220.03821	12.8
223.06349	1.2
235.06140	90.4
249.06232	1.1
265.07104	8.8
265.09607	1.4
295.10635	45.5
295.81995	1.0
355.10257	1.3
471.15146	100.0
472.15460	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	471.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42483	1.0
55.43373	1.1
55.45113	1.1
59.01382	5.1
63.98393	0.9
69.03437	1.1
70.28830	1.0
71.01380	2.6
71.44957	1.3
73.02945	1.2
74.75481	0.9
81.03469	1.1
81.23083	1.0
82.95407	1.6
83.05024	4.8
83.49118	1.1
88.98801	1.3
89.02453	1.6
96.95994	5.5
99.57828	1.0
101.02437	1.7
108.02129	1.6
109.13735	1.0
110.64927	1.1
110.98483	1.9
114.93378	2.4
123.04506	2.3
128.03578	1.1
133.02963	1.1
134.03754	1.4
135.04524	6.8
136.04839	2.4
137.04942	1.8
144.04530	1.7
145.02919	1.2
145.08676	2.0
146.06102	1.9
151.08768	7.4
160.04083	1.7
168.09041	13.5
169.09744	2.4
188.03619	1.3
190.05037	1.8
212.00545	1.1
227.03529	8.5
228.04204	1.5
229.05054	100.0
241.05074	2.7
242.05879	19.2
243.06573	4.8
244.07405	35.9
248.11520	1.2
256.07321	1.5
257.08173	36.4
258.05313	5.9
263.12997	1.3
268.03775	1.7
273.07715	6.8
282.05417	1.5
283.06161	2.5
288.11206	2.0
297.07816	2.6
303.13528	12.0
309.69186	1.1
331.97696	1.3
370.15176	1.4
385.17752	4.5
396.13104	1.5
411.15674	5.6
427.18750	46.2
470.34326	5.7
471.21426	2.2
471.34744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	8.6
55.67756	0.6
57.03441	4.3
59.01387	45.9
61.98826	1.4
67.97469	0.7
69.03455	0.8
71.01382	56.3
72.99286	3.4
73.02948	18.6
75.00853	1.1
82.10018	0.7
82.95406	4.3
83.01382	12.8
84.02163	0.7
85.02465	1.5
85.02946	31.1
87.00867	3.3
89.02453	10.4
92.65231	0.8
93.03429	1.2
95.01372	4.4
96.96003	11.1
97.02886	1.4
99.00854	7.7
101.02436	55.7
101.06099	1.4
109.24463	0.7
111.00845	1.1
113.02438	21.6
118.63226	0.7
119.03470	1.4
119.05096	0.9
121.02919	0.7
124.99005	0.7
125.02449	2.6
129.01959	1.3
130.51123	0.8
135.04532	0.9
137.02486	0.8
143.03520	1.8
155.28267	0.9
159.03009	4.4
161.04553	16.7
167.03532	0.8
209.11807	1.1
249.13446	26.7
351.13031	0.8
389.18085	1.4
411.18808	100.0
412.19070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2752
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
52.61483	1.3
53.94353	1.3
59.01376	7.2
59.25598	1.5
61.38671	1.5
61.48400	1.4
65.51045	1.3
67.75375	1.4
68.36821	1.4
70.82603	1.7
95.30872	1.5
103.78615	1.7
116.92856	2.2
119.05028	17.2
121.02920	1.9
132.02130	12.8
133.02957	19.5
134.03725	43.6
135.04486	2.7
136.01674	11.9
137.02428	16.3
147.04494	21.0
151.04007	2.4
152.99591	2.5
153.05586	7.8
160.01656	54.1
163.04044	2.1
175.04010	100.0
175.05548	3.5
178.02676	2.5
192.04347	6.9
193.05031	19.2
205.00781	1.6
277.21707	2.7
295.22702	3.6
427.28662	2.7
469.92172	1.7
471.27496	67.6
471.34140	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	471.3118
Annotation	Comnostin D
Peak:m/z	Relative Intensity
59.01393	2.1
61.98815	0.9
68.89998	0.6
69.03452	9.8
71.04975	0.7
75.00893	0.9
78.74219	0.5
80.02673	1.3
81.03445	0.7
99.92554	1.1
107.05019	6.9
108.87987	0.7
109.06582	100.0
113.54713	0.6
116.07170	3.0
116.92839	4.1
117.05559	1.2
134.03804	0.6
160.01614	0.8
175.04030	0.9
176.99635	0.6
203.10661	0.7
278.61102	0.8
315.26920	3.8
339.26807	0.9
353.28564	2.7
355.30124	48.7
356.30585	0.8
357.27960	1.1
381.31674	3.5
383.33261	22.4
391.29999	1.1
409.31161	16.3
427.32193	54.4
428.32498	1.4
451.05200	0.7
471.31204	96.7
472.31604	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	472.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66399	0.4
54.82811	0.4
57.03433	0.5
59.01382	7.4
69.47395	0.5
71.01367	3.9
75.63242	0.5
81.96774	0.5
85.02938	1.8
89.02466	4.7
93.19080	0.5
96.95982	2.1
101.02433	3.7
102.58576	0.5
111.00892	0.5
113.02414	1.1
119.03513	0.8
120.04551	0.9
121.05032	2.6
131.03696	0.6
132.04535	18.5
134.06116	2.2
144.04547	23.9
144.05682	0.9
147.03253	3.4
148.03969	0.6
159.03210	0.6
160.04030	67.2
161.04457	1.0
162.05595	100.0
163.05946	0.9
178.05086	13.5
188.03523	88.0
206.04588	26.3
207.04970	0.7
245.41335	0.5
248.05707	0.9
310.09280	0.8
347.04825	0.6
348.52917	0.6
362.66196	0.5
461.70224	0.6
472.14609	87.0
473.14996	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	472.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95077	0.4
59.01390	7.7
60.56524	0.5
67.32911	0.5
71.01375	5.0
74.25987	0.5
81.31627	0.5
85.02957	0.9
86.15613	0.7
89.02473	4.3
92.11705	0.8
101.02440	3.2
113.02457	2.2
113.18259	0.6
119.03504	0.7
119.05029	1.0
120.04491	0.9
121.05067	2.7
131.03723	1.0
132.04533	17.6
134.06104	0.8
144.04549	23.4
144.05675	0.8
147.03288	4.8
160.04033	70.4
161.04486	0.8
162.05608	96.0
163.05965	0.9
163.91832	0.6
178.05109	12.4
188.03532	86.6
206.04579	26.0
248.05775	1.2
262.05463	0.6
399.74124	0.7
472.14651	100.0
473.15244	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33069	0.1
58.23930	0.1
59.01399	0.3
61.98835	100.0
68.95731	0.2
70.02390	0.2
70.72956	0.1
76.57648	0.2
83.40119	0.1
89.93127	0.1
93.03452	5.2
93.69931	0.2
116.05068	0.2
119.05009	2.7
120.05394	0.6
130.08728	0.4
134.03754	0.2
137.02443	9.0
138.02800	0.3
144.04581	0.2
145.02998	0.2
146.06168	1.1
161.02455	0.2
162.05557	0.2
172.04108	0.2
190.05168	0.4
315.13605	0.2
319.63821	0.2
415.96817	0.2
436.19827	0.9
472.26083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20853	0.1
54.82454	0.1
61.98835	100.0
69.38147	0.1
73.03648	0.1
114.37904	0.1
117.18490	0.2
119.05045	0.3
122.58961	0.1
213.72778	0.2
338.70306	0.2
434.35132	0.2
450.27158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56489	0.2
59.01381	0.5
62.27082	0.3
84.21185	0.3
93.03463	0.5
96.96014	0.5
101.08266	0.3
117.03463	2.5
119.05019	100.0
120.04530	0.4
132.05803	0.7
144.04590	0.5
145.02959	18.5
147.03249	1.3
152.36021	0.3
160.04060	1.8
162.05608	11.9
163.04047	0.4
174.05725	0.3
176.56250	0.4
188.03522	0.5
206.04579	7.2
231.11476	0.4
233.12943	0.4
248.17529	0.4
273.16156	1.6
290.18777	21.3
300.66403	0.4
316.16687	18.8
400.28036	0.3
436.22470	71.5
437.22824	2.1
473.12146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00539	0.5
55.01868	0.6
57.03454	0.9
58.00601	2.2
58.02976	0.8
59.01390	76.3
59.28651	0.4
64.34140	0.5
71.01389	45.9
72.99294	1.1
73.02951	1.0
82.71458	0.5
83.01399	2.0
83.95026	0.5
85.02962	6.3
87.00880	2.2
87.04503	5.3
88.04044	1.2
89.02445	70.9
95.01379	2.7
97.02975	0.6
99.00869	0.4
101.01768	1.0
101.02439	27.0
102.05608	0.8
103.64661	0.6
112.95587	0.6
113.02447	22.0
119.03493	24.2
119.04352	1.1
125.02413	0.5
128.03531	2.4
130.08727	80.8
131.02504	0.6
131.03488	13.1
131.04494	1.1
143.03505	2.3
149.04567	2.4
161.04570	5.1
167.02094	3.0
179.05605	21.9
247.01643	0.6
273.44513	0.6
335.07840	0.5
341.10904	100.0
342.11203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82823	0.6
59.01107	1.1
59.01385	27.0
61.98819	0.8
65.53027	0.6
66.54435	0.5
71.01382	11.5
72.99300	0.9
79.21939	0.6
84.04548	1.3
85.02953	1.5
88.19358	0.6
89.02436	17.9
98.59715	0.7
101.02452	1.6
102.05602	62.0
109.23823	0.6
111.58224	0.6
113.02428	1.4
119.04991	1.5
128.03534	64.7
130.08730	100.0
142.29126	0.9
144.04578	1.4
145.02951	1.4
146.04602	23.5
149.04507	1.4
160.04022	6.2
162.05602	15.0
163.05852	0.9
185.15245	0.7
188.03566	3.4
193.12372	1.1
206.04597	3.8
343.17642	7.0
428.22955	3.8
454.20972	5.5
472.21811	51.9
472.26154	25.3
473.21771	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	0.1
58.42775	0.1
59.01387	9.5
59.39484	0.1
61.68412	0.1
71.01380	3.6
72.99309	0.2
85.02944	0.5
89.02442	2.8
96.01068	0.1
101.02440	0.2
130.08727	100.0
130.24374	0.2
131.09082	0.6
162.05609	0.3
184.95695	0.1
322.20514	0.2
352.24384	0.2
400.92636	0.1
409.81631	0.2
454.24551	0.3
472.25549	56.2
473.25931	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	473.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.9
59.01633	0.4
61.98825	3.2
62.38151	0.2
71.01360	1.4
73.02933	0.4
78.95908	0.3
82.86294	0.2
84.95097	0.3
87.00820	0.3
89.02406	0.4
93.03419	1.1
95.64169	0.3
101.02410	0.4
113.18840	0.3
119.05015	5.0
120.04535	2.6
120.05325	0.9
121.02882	0.3
122.02457	1.6
126.40641	0.3
132.04536	0.5
133.02917	0.3
134.03738	0.5
134.06134	3.2
137.02435	0.6
144.04559	3.4
145.02905	0.3
147.03253	6.7
152.01003	0.2
160.01630	1.3
160.04028	11.4
161.04668	0.3
162.05594	100.0
163.03990	0.6
163.05934	1.1
164.04620	0.5
175.00357	1.1
175.04079	0.5
176.03497	0.4
178.05061	0.4
179.02242	0.3
181.44341	0.3
188.03531	7.7
190.02705	2.7
193.05075	0.4
194.91072	0.3
195.13155	0.3
205.05089	1.9
206.04584	54.0
207.04973	1.1
223.06076	0.7
273.08917	0.3
350.08789	1.0
428.25409	0.4
436.22504	0.4
437.16711	0.5
437.22787	0.4
452.84674	0.3
473.11520	7.8
473.16986	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	473.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69685	0.3
52.74707	0.3
57.03448	0.5
59.01394	9.7
60.47882	0.3
65.96024	0.4
69.03482	4.3
71.01391	11.4
72.99326	0.5
73.02940	2.1
78.95908	0.7
83.01372	1.8
85.02971	5.0
87.00906	0.6
87.04519	59.7
88.98808	2.3
89.02444	7.2
95.01376	0.7
95.61741	0.4
96.96008	3.3
97.02917	0.6
99.00882	1.1
101.02439	10.2
107.05021	0.6
113.02446	12.9
113.03604	0.8
114.01974	0.9
116.92945	0.6
119.03522	1.0
131.03497	100.0
143.03416	0.6
159.02934	0.9
161.04575	4.3
179.45340	0.4
251.11340	8.8
274.08401	0.5
413.16660	22.2
473.13580	2.1
498.75467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78032	0.3
55.01880	0.4
56.49762	0.3
59.01110	0.6
59.01384	13.2
71.01377	7.2
73.02944	1.8
85.02943	3.4
89.02436	6.5
95.01366	0.4
99.00891	0.4
101.02422	4.8
110.70616	0.4
113.02417	2.3
116.92832	2.5
117.03448	2.3
119.03477	1.8
119.05003	0.6
121.02904	0.5
132.01155	0.6
132.02158	19.9
133.02954	3.1
134.03725	40.9
135.04382	0.5
135.06581	3.2
137.02412	0.4
147.04514	0.7
149.06075	4.3
160.01651	100.0
161.02211	1.8
167.35556	0.4
175.03989	97.4
176.04585	4.2
177.01945	0.5
178.02705	2.2
179.28682	0.4
191.07092	2.3
193.05051	36.6
194.05469	0.6
207.06633	0.6
235.06119	7.3
265.07245	1.6
272.43701	0.4
295.08252	1.7
307.14041	0.6
337.09375	0.9
473.16672	78.3
474.16986	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	473.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64753	0.6
55.01895	5.2
57.03461	2.4
58.00594	0.8
59.01386	37.9
61.08181	0.7
66.86275	0.7
71.01385	38.3
72.99302	1.1
73.02948	15.3
75.00849	1.1
76.82702	0.6
83.01387	8.1
85.02956	19.6
87.00868	1.1
87.04504	4.8
89.02438	14.0
95.01371	3.1
96.96010	0.9
97.02917	1.7
99.00857	4.9
101.01758	1.4
101.02438	41.4
101.66059	0.7
103.84434	0.7
111.00943	0.9
113.02445	20.6
119.03474	5.4
125.02374	1.5
131.03485	9.9
131.04454	1.3
134.22502	0.6
139.69203	0.7
141.38170	0.7
143.03445	3.1
159.02989	3.0
161.04558	18.0
165.79138	0.6
179.05562	3.0
251.11363	30.3
263.07880	1.1
276.36176	0.8
353.97424	0.8
413.16653	100.0
414.16965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82960	0.2
59.01384	100.0
60.01709	0.2
62.12281	0.2
89.20662	0.3
90.85210	0.2
91.15119	0.2
175.82080	0.2
194.60440	0.2
205.12030	0.2
247.23180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10485	0.2
55.97821	0.2
58.55955	0.2
59.01388	100.0
61.98835	0.4
63.89772	0.2
67.30481	0.2
67.45764	0.3
85.12881	0.3
87.00886	0.6
92.12489	0.3
142.41548	0.3
171.29478	0.3
184.89200	0.3
217.00462	0.5
220.14775	1.7
221.15535	2.1
236.10619	1.4
249.98561	0.3
293.17841	1.0
293.21091	0.3
311.22437	1.3
334.49170	0.3
336.12149	0.3
339.25476	0.5
409.56561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56513	0.1
53.90837	0.2
59.01389	100.0
60.01716	0.2
61.98826	0.4
64.61044	0.2
71.14005	0.1
84.05801	0.2
84.95135	0.4
87.00888	0.2
87.99214	0.2
171.10217	0.3
176.54822	0.2
264.16351	0.2
293.21188	0.7
311.22269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82706	0.3
59.01381	1.9
61.76756	0.2
61.98832	100.0
64.42604	0.3
69.03457	1.5
81.71546	0.3
107.05055	1.3
109.06580	19.7
127.62975	0.3
133.02982	0.6
135.04555	1.4
146.72763	0.3
148.04417	1.5
149.25513	0.3
160.01706	1.6
160.26669	0.3
170.64482	0.3
175.03963	3.0
193.05109	0.3
196.79617	0.3
213.09106	0.3
239.37740	0.4
304.26733	0.6
317.28595	0.4
355.30252	0.5
357.31665	10.9
385.34882	4.1
410.27316	4.3
411.32553	2.9
413.30750	0.5
429.33713	11.8
453.79010	0.3
473.32950	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	473.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17830	0.4
56.19382	0.6
59.01393	1.6
61.98818	0.7
66.87292	0.5
78.95918	1.6
115.96957	0.5
116.92841	0.7
138.49799	0.5
148.84767	0.5
152.99562	2.3
173.33147	0.5
189.12833	0.9
205.15991	31.3
267.11624	0.5
273.42819	0.5
345.75006	0.6
427.62341	0.5
443.23505	0.5
457.25171	17.8
473.28281	100.0
474.28342	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	473.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13124	0.5
59.01368	0.5
69.03459	4.4
73.74720	0.4
91.26494	0.4
92.12337	0.6
92.23223	0.5
95.05014	0.9
105.03449	5.4
107.05008	2.8
109.06580	42.6
114.39299	0.5
117.03448	0.5
132.02141	10.8
132.99591	0.8
133.02940	29.1
134.03728	19.7
135.04515	7.3
137.02426	4.5
139.03992	0.7
148.05318	6.5
149.06139	0.7
150.03212	0.8
160.01649	63.4
161.02437	13.2
161.06041	3.2
175.03996	100.0
176.04346	1.2
177.01930	0.8
178.02734	3.8
179.03510	2.8
193.05090	7.6
213.43625	0.6
233.08194	2.9
247.09782	0.9
261.11154	0.9
275.12582	1.7
297.24374	16.0
317.28668	0.9
329.17618	2.3
330.18448	1.1
343.19250	4.1
355.29782	1.8
357.20642	0.8
357.31665	20.4
371.22766	0.5
373.27621	2.1
383.33020	0.7
385.34698	8.7
411.32660	6.3
429.33765	24.0
441.26318	6.8
473.29080	49.6
473.33572	18.2
474.29385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
74.81757	0.2
75.00877	0.4
83.05032	2.8
89.17176	0.2
92.11859	0.3
95.29190	0.2
116.92847	0.4
118.36537	0.2
119.68694	0.2
121.06596	4.1
121.39519	0.2
125.06081	1.4
133.06577	2.8
149.09721	100.0
150.10062	1.0
163.11285	1.3
177.27075	0.2
179.07245	0.3
264.53513	0.2
279.23309	1.1
297.18509	2.0
307.16907	0.3
308.17880	0.5
311.20209	24.3
312.20529	0.3
323.20197	20.0
324.20749	0.4
340.16959	0.4
429.33801	1.4
437.42828	0.2
440.89706	0.2
455.45523	0.3
473.30643	71.2
474.31024	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	473.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88024	0.4
59.01384	14.1
61.98815	0.7
78.95879	0.3
116.92864	0.4
121.02966	0.5
152.99600	0.4
169.71265	0.4
279.23285	100.0
280.23785	0.9
306.49417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3274
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
52.81759	0.5
60.10088	0.5
61.98840	9.7
66.10735	0.5
69.03476	8.6
71.05011	0.6
80.02680	1.3
89.02492	0.5
91.05497	0.7
93.03421	1.0
105.03476	0.5
106.58715	0.5
107.05017	6.5
109.06586	100.0
132.02161	2.8
133.02959	7.4
134.03740	6.3
135.04506	1.4
137.02524	0.6
148.05298	1.2
157.88820	0.6
160.01656	17.7
161.02444	3.5
162.01289	0.6
175.03992	32.3
178.02719	0.6
179.03534	0.9
193.05029	1.2
233.08377	0.8
235.65483	0.6
247.09718	0.9
297.24292	3.7
317.28604	5.0
341.28516	0.7
343.19083	1.1
355.30103	4.3
357.31638	53.8
383.33112	1.3
385.34848	22.4
411.32748	15.7
412.31924	0.7
429.33746	54.1
430.34427	0.7
441.26334	1.0
473.33246	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3275
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
51.88508	0.2
56.45545	0.3
56.75267	0.2
57.44655	0.2
59.01342	0.5
69.03471	0.3
71.01388	2.2
76.15617	0.4
76.75305	0.3
102.92096	0.3
116.92746	0.4
142.55263	0.3
176.05727	0.3
187.11192	0.3
234.91850	0.3
250.40681	0.3
268.77991	0.3
281.24835	0.4
317.28906	0.3
327.30533	0.4
339.30707	2.5
341.28400	1.2
353.28522	0.4
355.26035	0.5
355.30118	8.9
357.31659	100.0
358.31961	1.7
393.04919	0.3
411.32724	5.9
429.33774	40.0
430.34058	0.6
473.32794	51.0
474.33093	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	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82541	0.2
56.54293	0.2
59.01384	4.3
60.01702	0.2
61.98825	0.2
68.62550	0.2
71.01363	0.2
72.71530	0.2
77.21837	0.2
78.95898	8.0
135.01982	0.2
140.01190	2.9
152.99625	0.8
171.10237	0.3
196.03833	1.0
214.04933	2.2
216.24294	0.2
257.36798	0.3
259.20584	0.4
275.20081	0.5
277.21735	100.0
278.22015	2.6
293.10156	0.3
311.22345	0.2
474.26273	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	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65061	0.3
55.90236	0.3
57.80499	0.3
59.01387	29.3
60.01734	2.8
63.25250	0.3
78.95910	29.1
85.66024	0.4
122.00143	0.9
140.01175	9.2
152.99602	2.1
161.13118	0.4
196.03799	13.7
214.04893	2.4
233.22542	0.5
277.21729	100.0
278.22031	1.5
398.40833	0.4
474.20013	1.2
474.26270	32.0
475.26315	0.7
486.95984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2628
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
57.97581	0.6
59.01377	3.4
61.75860	0.6
61.98841	9.0
78.95907	100.0
84.64639	0.6
96.96001	0.9
96.96954	7.6
152.99593	12.4
171.00629	18.0
190.97997	0.6
390.30304	0.8
411.76862	0.8
440.69510	0.7
474.26300	42.0
475.26639	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	474.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74769	0.3
57.99448	0.3
58.02978	0.4
58.14254	0.3
59.01382	0.5
61.15200	0.2
73.46633	0.3
80.91681	3.0
116.92805	0.4
128.10860	2.7
130.08725	100.0
131.09048	0.6
187.64127	0.3
247.84793	0.3
258.91769	0.3
328.31268	0.3
338.40939	0.4
348.32825	2.5
365.23721	0.3
392.31738	64.4
393.32074	3.4
411.32358	0.4
412.33060	2.7
429.33743	1.6
430.34021	5.1
474.32413	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.3
62.39897	0.2
64.33563	0.3
65.01315	0.3
71.01384	17.4
72.99308	3.6
87.00875	1.0
87.04508	1.1
88.04036	2.0
89.02450	4.4
115.00368	55.4
131.03558	1.8
131.04504	0.4
132.03024	4.6
132.03868	0.4
133.01424	100.0
167.31186	0.3
186.29228	0.3
199.48138	0.3
375.44940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13534	0.2
59.01390	0.8
60.19838	0.2
60.30389	0.1
71.01380	22.0
71.29156	0.2
72.00879	0.2
72.99308	4.8
74.84007	0.2
83.58077	0.2
87.00879	1.3
88.04031	2.7
89.02425	3.4
89.04379	0.3
104.58087	0.2
113.03557	0.3
114.01966	0.9
115.00364	62.3
116.00703	0.4
131.04613	1.0
132.03011	5.5
132.06656	0.4
133.01422	100.0
134.01762	0.3
185.63168	0.2
213.76968	0.2
233.06375	0.2
309.41092	0.2
493.81638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87900	0.1
57.16609	0.1
59.01378	0.2
61.98838	100.0
79.25958	0.1
96.57276	0.1
134.03795	0.5
143.12065	0.1
174.70288	0.1
194.09334	0.1
194.98582	0.1
202.75375	0.1
203.05960	0.3
375.28906	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	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.6
61.98843	0.6
65.92413	0.4
66.30230	0.5
68.53674	0.5
71.01380	5.2
72.99308	0.7
83.21083	0.6
85.02937	2.0
87.00840	0.6
88.70409	0.4
89.02430	6.0
96.96017	0.7
96.96849	0.4
100.07940	0.5
101.02444	3.8
101.32756	0.5
107.05025	0.5
108.04653	0.5
113.02420	2.4
119.03461	2.4
130.98819	0.5
132.02144	0.8
133.02945	30.5
133.03957	1.0
134.03728	0.8
135.04515	14.1
149.06062	0.6
151.06139	2.4
153.01929	0.6
154.02684	0.5
161.02441	100.0
169.05051	0.6
177.05594	0.7
179.03496	9.7
180.01292	0.6
221.04564	1.1
268.04932	0.5
281.06699	1.0
341.10907	1.1
388.07025	1.9
475.14612	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1461
Annotation	Erythroxyloside A
Peak:m/z	Relative Intensity
50.07376	1.2
57.21410	1.0
59.01383	16.3
60.75511	1.1
64.33897	1.2
71.01379	15.1
72.99308	18.5
73.02947	2.5
75.00860	1.1
85.02943	5.3
85.03423	1.2
89.02426	9.5
93.03442	9.3
96.51768	1.2
96.95982	7.8
99.00874	2.2
101.02448	7.9
103.82341	1.4
107.05014	6.7
113.02427	5.2
116.57737	1.2
119.03496	1.2
119.05022	36.1
134.03755	1.9
134.26076	1.2
135.04529	34.9
137.06116	1.6
151.03969	1.7
162.03229	2.0
163.02722	2.4
163.04019	51.5
163.05386	1.8
181.05077	65.8
223.06123	4.6
323.09927	1.7
326.76834	1.6
343.10376	1.7
344.44473	1.3
475.14587	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	475.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70999	0.6
81.69533	0.5
92.11655	0.5
92.60594	0.6
107.05026	0.6
108.74301	0.5
112.42642	0.6
119.05035	0.9
120.02155	0.5
121.47001	0.6
131.03574	0.5
133.02963	5.0
134.03740	100.0
135.04538	29.7
135.05580	0.9
147.04533	2.5
148.05307	2.6
148.70845	0.6
149.06085	55.8
160.01686	1.1
161.02466	2.7
161.06157	1.2
175.02704	0.6
175.04031	3.2
176.03494	1.9
186.12376	0.6
190.05124	2.6
202.35893	0.6
204.06697	3.6
230.08237	2.2
231.09047	1.3
247.10915	10.6
248.11615	4.6
251.49193	0.5
261.12396	0.9
261.15326	0.6
263.14056	2.0
273.08850	7.8
274.09634	25.9
275.10318	2.3
289.11957	42.2
383.82422	0.7
423.15628	3.3
437.17056	0.7
439.18784	82.5
440.19104	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	475.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08156	0.5
59.01374	1.4
61.98812	0.5
62.46852	0.6
69.73770	0.7
74.02461	1.4
74.99088	3.5
77.00660	84.5
87.05584	0.6
137.01025	1.1
147.08133	1.5
149.09720	1.3
161.09769	0.9
163.11293	4.1
176.07199	0.7
185.02089	0.8
187.11253	3.3
207.39601	0.6
280.14651	1.1
294.65836	0.7
307.17053	0.9
307.26434	21.1
309.22232	3.3
322.19324	0.7
337.21765	100.0
338.22043	2.2
444.86700	0.7
475.23340	19.8
475.29642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.5
61.98844	1.5
69.00172	0.3
72.91468	0.2
76.16658	0.2
85.59258	0.3
92.65134	0.2
93.03458	0.3
94.59354	0.3
97.97820	0.3
99.08134	0.4
106.27187	0.3
117.03468	29.5
119.05025	29.1
119.05920	0.3
121.02956	5.3
123.04514	1.1
133.02933	0.6
134.03732	0.5
145.02965	100.0
146.03302	0.6
147.97673	0.3
162.03308	0.6
163.04022	19.7
165.01888	0.4
171.10268	1.5
171.17729	0.3
183.13945	0.5
211.13434	4.2
223.17114	0.4
229.14510	2.3
229.97842	0.3
286.45187	0.3
293.21320	1.5
311.22324	1.8
329.23389	9.0
333.20264	1.0
475.20447	1.4
475.27005	23.6
476.27484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03410	1.1
58.00585	2.7
59.01383	85.9
60.60732	1.0
71.01376	90.0
72.99299	5.4
73.02924	1.7
76.52650	1.0
83.01392	1.3
85.02950	9.3
87.00851	2.8
89.02434	100.0
95.01360	1.5
98.64256	1.1
101.02428	26.9
113.02430	13.0
119.03521	13.7
131.03468	2.9
143.03435	1.7
149.04567	1.8
161.04546	6.8
171.10258	18.2
179.05618	25.8
241.61461	1.1
277.21707	27.3
279.23279	4.7
295.22791	67.5
329.13583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
56.99415	1.6
57.44000	1.4
58.00586	2.8
59.01385	100.0
61.98820	1.6
64.94269	1.7
71.01383	83.8
72.99301	3.2
85.02950	7.4
87.00887	2.9
89.02441	86.3
89.69353	2.0
101.02438	21.4
112.56493	1.9
113.02474	17.5
114.73039	2.0
119.03490	10.6
143.03499	2.0
146.22751	1.9
161.04587	4.3
171.10266	14.6
179.05594	20.9
183.10262	2.2
277.21683	14.2
295.22745	30.6
307.26627	3.7
377.22977	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
56.99415	1.6
57.44000	1.4
58.00586	2.8
59.01385	100.0
61.98820	1.6
64.94269	1.7
71.01383	83.8
72.99301	3.2
85.02950	7.4
87.00887	2.9
89.02441	86.3
89.69353	2.0
101.02438	21.4
112.56493	1.9
113.02474	17.5
114.73039	2.0
119.03490	10.6
143.03499	2.0
146.22751	1.9
161.04587	4.3
171.10266	14.6
179.05594	20.9
183.10262	2.2
277.21683	14.2
295.22745	30.6
307.26627	3.7
377.22977	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03439	0.7
57.11036	0.4
59.01382	24.3
60.97609	0.4
61.98835	3.9
62.13192	0.4
68.42883	0.4
71.01381	14.0
72.99281	0.7
73.02937	3.0
74.40424	0.4
75.11117	0.4
75.75667	0.4
83.01380	3.2
85.02954	4.6
87.00861	0.8
89.02438	8.1
89.77781	0.5
92.12374	0.8
95.01389	1.0
99.08136	0.9
99.37798	0.4
101.02437	8.0
107.16880	0.4
113.02435	4.7
119.03497	1.6
125.69000	0.4
168.04015	0.5
183.13879	4.3
204.26196	0.5
226.58748	0.4
293.21362	0.5
295.22812	8.4
311.22223	0.9
313.20245	0.9
313.23889	26.5
337.24072	0.6
452.34525	0.4
457.28015	2.2
474.13275	0.5
475.29156	100.0
476.29663	4.3
487.16388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47890	0.1
56.04838	0.1
61.98836	100.0
80.10633	0.1
111.76195	0.1
117.03516	0.1
119.05032	0.4
133.11380	0.1
134.03749	0.7
145.03026	0.3
163.04057	0.4
175.04097	0.1
191.74335	0.1
193.05119	0.4
351.38669	0.1
374.17477	0.1
413.12433	1.4
423.29172	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
55.85574	0.2
57.08426	0.2
59.01382	4.4
61.16163	0.2
61.98556	0.3
61.98832	2.9
63.25019	0.2
63.75583	0.3
65.94046	0.2
68.08768	0.3
71.01390	3.2
73.02939	0.7
83.01352	0.9
85.02940	2.1
87.00864	0.5
89.02415	0.4
92.11710	0.5
101.02422	3.3
104.05040	0.4
113.02444	1.2
117.03420	0.4
119.05003	2.9
120.05341	0.7
122.02502	0.4
125.69698	0.3
132.04547	12.3
137.02477	0.6
138.05629	0.3
139.32491	0.3
142.93600	0.3
144.04555	22.0
145.02960	3.9
146.03305	1.1
147.03250	1.6
152.33568	0.3
159.03117	0.3
160.04042	55.7
161.04613	0.6
162.05611	65.3
163.04008	0.5
178.03526	0.4
178.05096	9.6
188.03540	100.0
189.03784	0.3
206.04620	13.7
237.07701	2.9
238.08080	1.5
298.99399	0.3
320.14603	0.4
345.33054	0.3
431.50583	0.3
440.15680	90.8
441.16217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21938	0.3
59.01389	2.3
61.98835	83.1
66.52995	0.3
71.01385	2.3
73.02934	0.7
76.57709	0.5
85.02963	1.8
89.02415	0.6
92.11669	0.8
101.02457	2.3
113.02470	0.4
114.23323	0.3
117.03423	0.7
119.05016	8.1
120.05338	4.2
121.05548	0.5
132.02208	0.6
133.02948	23.6
134.03708	0.7
135.04517	7.2
145.02957	0.6
146.03340	0.6
158.54359	0.4
161.02440	100.0
162.02783	1.7
174.94550	0.4
175.55064	0.4
179.03487	3.6
195.75511	0.4
196.76424	0.4
215.26819	0.4
287.61435	0.4
291.19028	0.8
317.17126	0.6
318.17093	0.5
413.14554	75.0
414.14944	2.1
437.22672	2.6
438.22971	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98831	100.0
63.35084	0.2
71.01375	3.1
72.01724	0.4
73.02943	0.5
77.49093	0.2
77.50162	0.3
80.92397	0.2
83.01374	0.3
85.02954	0.5
87.02733	3.5
88.03086	0.5
89.02444	1.1
92.65546	0.3
95.01369	0.3
98.93742	0.3
101.02415	2.2
102.02785	0.3
103.02962	0.3
108.65585	0.2
113.02426	0.5
114.02834	0.3
115.00373	1.4
117.03794	3.6
118.04172	0.6
119.57508	0.2
120.11529	0.3
131.03516	0.3
133.01402	1.9
133.05061	0.5
135.04828	3.7
136.05220	0.5
161.04538	0.4
165.61751	0.2
223.06467	3.5
224.06883	1.3
251.11362	0.4
252.11505	0.3
253.11923	0.6
363.53699	0.3
396.58374	0.3
414.17200	0.5
415.17126	2.8
416.17563	3.6
499.80316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98831	100.0
63.35084	0.2
71.01375	3.1
72.01724	0.4
73.02943	0.5
77.49093	0.2
77.50162	0.3
80.92397	0.2
83.01374	0.3
85.02954	0.5
87.02733	3.5
88.03086	0.5
89.02444	1.1
92.65546	0.3
95.01369	0.3
98.93742	0.3
101.02415	2.2
102.02785	0.3
103.02962	0.3
108.65585	0.2
113.02426	0.5
114.02834	0.3
115.00373	1.4
117.03794	3.6
118.04172	0.6
119.57508	0.2
120.11529	0.3
131.03516	0.3
133.01402	1.9
133.05061	0.5
135.04828	3.7
136.05220	0.5
161.04538	0.4
165.61751	0.2
223.06467	3.5
224.06883	1.3
251.11362	0.4
252.11505	0.3
253.11923	0.6
363.53699	0.3
396.58374	0.3
414.17200	0.5
415.17126	2.8
416.17563	3.6
499.80316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71901	1.1
52.80051	1.1
54.82740	1.3
58.02988	10.9
59.01373	6.3
61.98837	24.6
71.01387	1.9
74.02467	20.0
82.02975	2.6
86.02473	7.1
87.05624	6.3
90.00186	2.5
92.12340	2.9
93.03438	2.4
99.05636	25.0
101.07198	3.0
102.05582	2.7
112.04037	2.5
124.04013	2.0
125.09681	3.5
127.05157	2.4
128.03525	52.6
133.02942	2.5
135.05621	5.6
137.02409	2.5
141.06703	2.6
143.04619	83.2
145.06192	3.2
146.04593	8.2
153.06689	6.9
160.00713	16.2
161.02406	10.7
162.05609	2.4
167.04591	6.1
177.03340	7.1
179.04588	7.7
181.06142	2.2
185.05612	2.9
192.07779	1.6
210.08911	15.2
243.95332	1.6
253.07104	2.0
254.07954	11.1
272.08896	27.4
288.06531	6.1
298.32016	1.4
306.07678	100.0
413.14902	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	476.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31749	1.7
58.02974	10.9
59.01382	10.7
61.98825	11.3
63.80368	1.7
68.20770	2.0
71.01373	3.8
74.02467	15.8
79.46881	1.9
85.04076	2.3
86.02480	7.9
86.06109	2.5
87.05598	2.7
90.00186	2.7
99.05628	20.1
101.07235	2.4
108.02133	2.2
112.03981	2.0
119.05004	3.0
119.72692	2.1
125.02428	2.3
125.03477	2.1
125.09732	2.5
128.03539	50.8
135.04578	2.4
135.05652	3.8
137.63054	2.2
141.06717	4.1
143.04622	78.7
145.02910	3.0
145.06200	3.1
146.04549	3.5
152.01161	3.1
153.06656	2.7
160.00697	14.0
162.05617	4.8
163.04083	3.2
167.04640	2.9
168.00584	3.0
172.03970	2.4
177.03311	3.7
179.04610	12.7
206.04613	2.8
210.08801	14.3
246.71619	2.0
254.07953	14.0
254.10281	2.0
272.09000	22.9
278.04483	4.3
288.06610	9.2
300.33310	2.0
306.04175	3.9
306.07681	100.0
440.09714	9.1
477.10239	8.4
497.45169	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	476.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16643	0.4
58.64519	0.4
59.01385	10.8
60.01716	0.6
61.01820	0.5
61.98833	100.0
78.95898	95.7
89.02464	0.7
96.96960	10.0
111.46113	0.5
152.99583	14.4
163.35733	0.4
171.00644	16.5
229.68654	0.5
402.24237	1.8
476.27859	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64627	0.1
52.66554	0.1
59.01382	29.7
60.01716	4.5
61.01805	4.1
61.98830	100.0
65.29343	0.1
66.41566	0.1
78.95895	24.9
96.96947	2.3
99.08173	0.1
112.84740	0.1
143.56178	0.2
152.99577	3.8
153.19135	0.2
171.00621	4.7
183.13895	0.6
184.14241	0.2
184.97847	0.2
295.22583	0.2
311.22287	0.2
313.23782	1.5
314.24152	0.9
402.23935	0.2
476.27832	12.9
496.36499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56267	0.3
59.01394	5.3
60.01719	0.5
61.01835	0.3
61.98840	100.0
64.48051	0.2
65.05140	0.3
78.95895	1.2
97.89066	0.3
114.39442	0.3
123.88094	0.3
170.31557	0.3
186.51755	0.3
313.23911	0.4
314.24524	0.3
416.19269	0.4
476.27365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82143	0.1
56.17241	0.1
59.01383	3.8
60.01732	0.2
61.01807	0.4
61.46069	0.1
61.98836	100.0
62.02183	0.1
64.15028	0.1
67.52750	0.1
78.95912	2.4
85.03860	0.2
98.45033	0.2
107.62491	0.2
113.31831	0.2
117.74366	0.2
128.66142	0.2
152.99753	0.3
171.00731	0.4
476.27975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2786
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.28118	0.1
59.01383	0.2
65.37547	0.1
73.03062	0.1
78.95901	5.5
79.66044	0.1
106.30048	0.1
114.39584	0.1
135.05463	0.1
140.01190	2.5
152.99573	0.6
162.96768	0.1
196.03781	1.0
214.04886	2.6
261.22223	0.5
279.23306	100.0
280.23639	2.9
476.27866	10.6
477.28192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
62.96424	0.2
67.36519	0.1
71.01390	0.2
78.95898	21.7
90.18881	0.1
90.74366	0.1
92.12399	0.7
95.46677	0.1
96.96967	0.2
116.82748	0.1
117.83025	0.1
122.00129	1.2
134.00870	0.2
140.01184	6.8
142.81934	0.2
152.99571	1.8
168.11577	0.2
196.03806	9.3
214.04848	2.4
219.89532	0.2
261.22189	0.7
279.23297	100.0
280.23618	1.5
476.27850	29.1
477.28329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.31172	0.2
59.01381	1.1
59.14700	0.3
61.98833	33.0
63.69610	0.3
72.10513	0.3
73.09668	0.3
78.95901	100.0
79.42847	0.3
80.33598	0.3
87.77048	0.3
93.90988	0.3
96.96951	8.9
106.73955	0.3
114.39104	0.4
149.34357	0.3
152.99593	15.7
159.86061	0.3
162.83974	0.3
171.00638	18.8
171.02121	0.6
192.27306	0.3
202.68117	0.4
203.23053	0.3
329.91830	0.4
402.24210	1.4
476.27835	44.2
477.28177	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1408
Annotation	Streptonigrone
Peak:m/z	Relative Intensity
55.18209	0.7
59.01384	6.8
61.98816	1.1
64.93755	0.6
71.01373	4.8
73.02965	1.1
73.09592	0.8
82.95410	9.9
85.02940	1.4
89.02434	0.7
92.12369	1.1
95.01372	1.3
96.96025	0.7
100.27247	0.8
101.02458	1.1
109.02977	0.8
113.02450	1.0
121.02891	0.9
123.00864	32.7
124.01650	28.3
132.02161	24.0
133.02992	6.4
134.03734	18.5
134.04660	1.3
135.04536	1.6
137.02446	1.6
138.03214	7.0
139.04015	11.2
149.06075	3.0
151.04059	0.9
160.01651	100.0
161.02419	12.8
162.05598	1.4
175.03996	86.9
179.03528	1.4
193.05032	9.8
206.04741	0.9
245.84058	0.8
276.09848	0.8
285.68430	0.8
294.89020	0.9
309.77371	0.9
323.07672	3.6
337.09381	20.5
343.21054	1.0
477.14084	62.0
478.14536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24367	44.2
67.24979	51.0
73.76292	49.7
75.60362	49.8
79.04195	55.0
85.51379	49.4
92.11763	59.1
117.53102	50.2
167.26460	54.6
168.86032	56.6
237.70961	58.9
279.23267	100.0
323.29568	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30486	2.5
57.66949	3.1
59.01379	13.0
59.04892	2.7
61.51286	2.7
61.98837	100.0
62.10906	2.8
64.34680	3.1
71.01367	18.9
81.56572	3.0
110.03500	3.5
112.61018	2.8
173.65453	3.2
233.05238	3.0
245.37283	3.1
279.23306	96.2
293.24854	4.6
321.24503	7.6
477.26001	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	477.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	70.5
71.07042	8.4
77.00658	12.7
79.15003	8.0
79.61559	8.6
90.67673	8.4
93.97453	9.0
113.49804	13.3
144.77405	10.3
157.81767	8.5
200.46434	9.1
255.23338	66.0
267.66403	9.4
279.23325	100.0
337.21829	65.7
369.24326	10.6
415.23029	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83365	0.4
54.39207	0.5
54.82841	0.5
58.00591	1.3
59.01385	56.3
62.11846	0.5
68.99570	5.2
69.03459	0.6
71.00988	0.8
71.01382	20.6
72.99292	1.1
73.02930	4.8
75.00861	0.8
78.95901	0.6
85.02950	7.8
89.02428	4.5
91.38769	0.6
95.01360	2.9
101.02425	4.6
112.98582	4.1
113.02434	13.2
119.03445	0.8
132.95734	0.6
161.04527	3.0
170.26489	0.6
239.23788	3.1
240.62328	0.6
251.23843	1.1
255.23306	100.0
256.23660	3.2
265.25369	0.6
267.23386	4.0
269.24863	89.8
270.25211	3.4
279.23410	5.8
281.24783	0.8
297.24350	20.2
309.24258	2.4
313.23862	3.7
314.24136	0.7
327.25412	3.5
387.89340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66762	1.0
55.92787	1.0
59.01382	24.6
71.01373	18.2
73.02939	6.0
75.00862	1.5
85.02931	2.1
89.02429	6.9
92.11734	2.2
101.02451	1.8
113.02432	7.0
115.92095	2.3
116.96759	1.0
125.02538	1.2
131.47939	1.1
147.73126	1.3
161.04604	1.5
239.23758	4.5
251.23872	1.6
255.23302	90.2
267.23218	6.4
267.86951	1.5
269.24866	100.0
270.25204	1.6
279.23294	8.4
297.24319	19.7
309.24335	2.5
313.23904	5.5
316.18057	1.1
327.25385	2.5
386.66476	1.2
391.59781	1.3
468.25107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.393
Annotation	2,3,22,23-Tetrahydroxy-2,6,10,15,19,23-hexamethyl-6,10,14,18-tetracosatetraene
Peak:m/z	Relative Intensity
50.91748	0.3
59.01374	0.5
61.98824	0.6
73.51041	0.4
75.79044	0.4
78.95891	2.5
92.11752	0.5
99.92567	1.9
110.93910	0.5
110.98517	2.2
115.92083	4.7
116.92838	1.0
139.07645	4.2
143.58162	0.4
144.27599	0.5
151.20338	0.5
154.66875	0.4
167.01138	1.0
227.20175	100.0
228.20529	1.9
290.01944	0.5
309.28009	21.8
310.28409	2.0
312.54950	0.5
332.92218	0.5
397.60831	0.5
477.30038	3.3
477.39322	36.9
478.22784	2.2
478.39807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38345	0.4
54.82568	0.5
55.01858	0.6
58.00517	0.4
59.01387	56.9
61.98837	100.0
62.94239	0.5
71.01383	6.8
73.02927	0.7
83.01386	0.7
85.02945	1.3
85.69459	0.5
88.98806	2.2
89.02441	3.1
96.96010	1.1
101.02438	5.0
104.22098	0.5
113.02461	2.9
117.03452	0.6
119.03445	0.9
133.02945	17.6
134.03746	2.1
135.04520	35.4
141.01720	19.9
160.04071	2.5
161.02446	83.9
168.96648	0.5
179.03499	19.1
196.03749	1.1
206.04755	0.7
235.06192	3.0
332.51111	0.6
358.08929	1.0
415.12509	90.7
416.13019	1.1
440.16101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	49.9
61.98831	100.0
69.14505	0.5
71.01378	5.9
73.02926	0.9
75.93768	0.5
85.02961	1.8
88.36458	0.6
88.98818	1.3
89.02445	3.2
99.00890	0.8
101.02443	5.9
110.36960	0.5
113.02430	2.2
117.03446	0.9
124.26471	0.6
133.02936	18.9
134.03763	1.8
135.04515	36.6
141.01697	17.7
160.04066	1.2
161.02432	83.8
161.04607	2.4
174.05632	0.5
179.03487	20.0
235.06143	2.6
261.04688	1.2
349.93527	0.6
358.09036	1.1
415.12488	90.1
416.12747	1.1
486.71500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2269
Annotation	Epothilone A1
Peak:m/z	Relative Intensity
51.61013	0.3
61.98826	0.4
70.95587	0.3
72.99291	0.7
74.47009	0.3
78.95895	0.7
80.79519	0.3
81.40418	0.3
86.06113	1.8
87.04517	0.3
99.92574	34.6
100.92680	0.6
100.93340	7.7
104.01434	0.3
109.93355	0.3
110.98548	0.5
115.04012	3.4
115.92068	100.0
116.07169	4.7
116.92099	1.0
116.92844	14.7
117.93585	0.4
119.94767	0.3
121.63382	0.3
125.92857	1.6
126.93622	0.3
132.92355	1.4
142.93060	0.6
171.14992	2.4
198.97055	2.4
202.96458	3.5
227.20145	4.5
228.20596	1.8
240.97832	0.4
309.28033	10.0
310.28406	11.9
332.29660	1.5
348.29163	0.6
378.30222	0.5
403.14398	0.6
432.22180	1.3
434.16144	0.5
448.21899	0.4
460.21686	11.3
474.19656	4.0
477.30524	0.6
477.37814	2.1
478.22763	41.2
478.29739	2.3
478.37701	2.6
479.23199	1.7
492.20685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
76.07954	0.3
78.95899	100.0
88.14819	0.2
91.40673	0.3
92.12341	0.8
96.96952	10.0
100.55471	0.2
111.57692	0.3
140.01254	0.3
150.98059	0.2
152.99585	14.6
171.00642	19.4
188.09515	0.3
200.43471	0.3
253.21692	0.4
338.60876	0.3
384.62988	0.2
404.25681	1.9
478.29453	52.3
479.29312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82346	0.2
55.56315	0.2
58.45356	0.2
61.98846	0.2
73.20858	0.2
78.95909	100.0
83.18138	0.2
89.41975	0.2
96.96955	8.8
100.23557	0.2
122.32378	0.2
152.99586	14.9
159.83290	0.2
171.00645	20.7
214.04868	0.3
365.46921	0.3
404.25757	1.6
447.09958	0.2
478.29434	47.3
479.29672	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	478.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11426	0.1
78.95904	5.7
80.92562	0.1
131.22313	0.1
139.84622	0.2
140.01199	2.2
152.99612	0.8
196.03784	0.9
205.99179	0.1
214.04878	2.0
278.44452	0.2
281.24878	100.0
282.25192	2.0
295.74771	0.1
303.58426	0.2
417.83691	0.2
478.29446	11.1
500.58301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37949	0.1
55.55678	0.1
57.48177	0.1
61.98815	0.1
63.47319	0.1
69.16261	0.1
76.56880	0.1
78.95898	20.0
89.91011	0.1
122.00130	1.2
122.98441	0.2
134.98547	0.2
140.00182	0.3
140.01195	6.0
152.99593	1.9
166.02786	0.3
196.03799	9.0
214.04842	2.1
281.24860	100.0
282.25204	3.3
413.52573	0.1
425.02005	0.1
478.29431	27.4
479.29892	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73797	0.4
54.19579	0.5
57.43821	0.5
59.48924	0.4
74.26540	0.5
78.95914	0.5
99.92582	87.7
100.92632	0.8
115.92078	4.1
116.92857	12.2
122.25449	0.5
124.13232	0.5
125.51282	0.6
148.12244	0.5
171.22110	0.6
181.49960	0.6
184.86426	2.2
199.85115	100.0
200.85896	4.1
201.86687	0.8
202.87459	14.4
215.84636	1.2
216.85394	2.0
279.23306	0.9
311.29514	2.6
312.87943	0.6
378.15097	5.2
479.08389	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	479.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33804	0.4
55.01886	0.5
58.02962	0.4
59.01380	4.8
61.50956	0.4
61.98814	0.6
62.90717	0.4
67.01888	1.2
71.01379	8.0
73.02962	0.9
74.02474	0.9
74.78801	0.5
79.22410	0.5
79.99776	0.5
80.02664	0.5
80.41136	0.5
81.03448	3.2
83.01363	1.3
85.02941	2.5
87.00878	0.4
90.77576	0.5
91.01885	3.7
92.11842	0.6
92.64954	0.5
95.01361	2.8
96.99308	0.5
99.00854	0.8
99.05631	0.8
101.02434	5.0
107.01397	2.2
107.05037	0.9
108.02174	44.5
109.02947	12.7
111.00830	0.5
113.02433	3.1
114.89948	0.5
119.04988	0.8
123.00886	3.6
123.04511	30.0
123.05408	1.2
124.01676	0.5
125.02459	5.5
128.03531	3.7
129.03810	0.7
134.03734	6.5
137.02455	1.1
139.89186	0.6
143.04613	5.4
144.04965	0.7
145.02980	0.6
151.00375	10.1
152.01154	88.1
153.01936	20.5
153.02890	0.5
160.04044	1.9
162.05615	7.8
164.04773	0.6
166.02713	10.1
167.03490	100.0
175.04054	0.7
181.05066	4.5
188.03413	0.6
193.05061	3.9
195.03012	1.0
206.04568	2.5
246.11064	0.5
254.07866	0.9
272.08954	2.2
273.09372	0.7
292.59821	0.6
296.05487	3.0
297.06158	27.2
306.07681	2.6
307.07889	0.7
311.07770	28.4
313.81030	0.5
329.29608	0.6
398.37088	0.6
479.12006	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46761	18.3
54.82548	17.6
57.36665	13.8
59.01385	25.3
61.98827	100.0
77.38828	17.3
98.93491	17.8
107.74316	17.2
116.92856	30.5
147.05679	19.5
161.35191	17.7
182.45335	23.1
196.23428	25.0
401.99875	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61055	9.7
59.01368	16.5
61.98835	79.9
67.73312	9.5
70.99260	9.5
79.60281	8.4
81.06168	7.9
93.59209	8.5
95.28159	10.4
102.07599	8.8
134.41852	9.0
197.02390	15.5
251.20262	11.1
255.23279	17.5
256.23792	12.6
257.23917	12.0
281.24924	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	479.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.1
59.01376	2.1
60.17537	0.2
61.98827	3.7
68.99554	0.8
71.01376	1.6
73.02940	0.7
74.02428	0.2
85.02919	0.8
89.02416	0.3
90.49351	0.2
92.12376	0.2
101.02435	4.7
110.24633	0.2
113.02435	0.8
114.93404	0.7
129.10336	0.3
131.03468	0.3
163.06122	4.6
181.07196	1.1
210.18890	0.2
240.20967	0.2
255.23302	100.0
256.23621	2.5
257.24008	0.2
270.25098	0.2
298.24588	0.2
419.30240	0.4
444.68353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16640	0.8
51.42745	0.7
55.66075	0.7
59.01376	1.4
59.87095	0.7
70.74664	0.7
77.44873	0.8
88.54594	0.7
92.11713	1.0
122.02513	0.8
137.09737	8.7
155.10779	100.0
156.11079	1.4
160.66811	0.8
171.10271	22.6
174.44824	0.9
181.08780	1.2
189.90547	0.8
199.09781	36.4
217.10820	71.0
279.23303	54.5
332.60342	0.8
479.33768	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.5
67.50594	0.3
72.99306	0.9
93.95676	0.4
99.92572	26.5
100.93356	2.9
111.86018	0.4
114.26134	0.4
115.91231	0.9
115.92060	37.1
116.92847	100.0
117.01892	0.6
125.92795	0.4
155.97604	2.4
156.96051	0.6
200.94975	0.5
217.90775	0.4
263.77029	0.3
278.13364	0.4
299.19891	0.6
335.33569	0.4
418.20700	7.9
432.18918	0.5
444.18509	0.6
462.19644	2.2
480.13669	0.6
480.20544	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	480.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70377	1.1
61.98817	4.5
63.38994	1.1
74.67979	1.0
78.79665	1.2
86.06097	1.6
90.56126	1.1
93.26141	1.0
97.37347	1.1
99.92578	34.3
100.93330	6.8
115.04001	4.7
115.92065	100.0
116.07172	1.3
116.92081	2.4
116.92833	16.8
145.10245	1.0
176.11708	1.2
182.54706	1.1
198.97017	1.8
325.53177	1.2
425.75150	1.1
433.59869	1.2
462.22952	4.3
480.24243	54.6
480.30994	2.3
481.24567	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87494	0.6
61.98832	100.0
80.96458	0.9
97.05019	0.7
120.60062	0.9
165.95346	0.7
263.93951	0.8
312.22610	1.4
429.00137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39837	0.5
50.54707	0.5
61.37746	0.5
61.98836	100.0
62.41431	0.6
73.65049	0.6
78.95895	3.2
136.97884	0.5
140.01183	0.8
158.54024	0.5
162.79900	0.6
167.46169	0.5
192.58916	0.5
196.03818	1.2
232.29121	0.5
239.55904	0.6
255.23479	0.7
256.23737	0.9
283.26437	12.2
394.39993	0.6
480.31027	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	480.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29609	0.4
52.48181	0.4
59.01379	0.5
61.98834	100.0
66.20562	0.5
78.95903	7.9
90.89616	0.5
140.01215	2.5
152.99649	0.6
196.03815	4.2
269.25131	0.5
283.26450	41.9
382.20767	0.6
385.53574	0.6
406.24011	0.5
480.30939	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	481.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23948	0.2
59.01387	4.3
61.98829	0.4
71.01382	3.2
73.02920	0.4
85.02962	1.5
87.31870	0.3
89.02448	2.8
92.66094	0.3
96.96012	4.6
101.02455	2.7
113.02438	1.1
117.03413	0.5
119.03491	0.3
121.02937	0.4
121.05062	1.4
130.28996	0.3
132.02187	1.1
133.02950	24.8
134.03691	0.4
135.04507	9.8
161.02441	100.0
162.02843	0.4
162.05684	0.3
179.03497	6.6
221.04433	0.3
262.00281	0.5
283.10678	0.3
445.13541	58.7
446.13940	1.2
481.18597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1357
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
53.61472	0.3
59.01369	2.4
61.98834	1.0
64.34449	0.4
67.01883	0.5
68.62747	0.4
68.99777	0.4
71.01367	2.5
72.99317	0.4
73.02929	0.6
81.03442	0.4
83.01369	0.7
85.02950	1.9
89.50893	0.4
91.01833	0.6
91.43508	0.4
93.03458	0.5
95.01402	0.6
96.96006	0.6
98.11418	0.4
101.02415	1.7
108.02155	3.7
109.02955	4.0
110.00089	5.9
111.00867	1.9
113.02444	0.8
121.02953	1.0
123.00846	1.7
123.04504	4.7
124.01659	1.0
125.02433	5.4
126.89184	0.4
134.03735	0.8
135.04486	0.7
137.02477	0.8
137.99562	7.9
139.00372	6.9
144.52281	0.4
146.06148	0.5
149.06133	0.8
151.00363	2.4
152.01137	7.0
153.01927	100.0
154.02719	7.1
155.63295	0.4
160.01613	0.9
162.05579	3.5
166.02676	1.6
167.03485	14.7
168.04265	24.8
168.05713	0.8
169.05057	4.6
175.03929	1.1
184.41670	0.6
188.03510	0.6
197.04533	0.7
206.04605	1.6
240.78687	0.4
281.06580	0.5
297.06180	5.6
311.07739	8.2
443.15482	1.6
481.13522	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23874	1.5
55.09890	1.9
56.68255	1.6
59.01361	2.0
59.64845	1.6
61.98832	100.0
67.97925	2.0
116.92860	2.5
121.02940	2.1
122.51413	2.3
200.12680	2.3
232.62988	2.5
281.24866	23.2
472.66620	2.2
481.29816	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
85.05205	0.6
96.95985	1.3
97.06579	5.7
107.83358	0.6
123.08154	3.5
125.09716	33.3
131.41032	0.6
139.11278	3.3
140.88986	0.6
141.12834	0.9
143.10773	1.4
155.10773	1.0
167.10814	6.8
170.36639	0.7
170.74870	0.6
185.11864	0.9
187.09755	22.9
187.11450	0.8
221.75572	0.6
249.22124	0.9
271.11478	0.7
293.21255	9.4
311.22314	100.0
332.79865	0.7
377.02014	0.7
463.30783	4.8
481.31683	15.9
494.62158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90506	0.8
61.98827	1.6
63.80628	0.7
65.85873	0.7
78.95890	2.1
98.67051	0.8
100.43940	0.9
105.03382	0.9
132.02222	1.2
133.02945	30.3
134.03731	100.0
135.04532	30.6
147.04500	1.3
148.05322	3.8
149.06082	60.6
152.99603	1.0
154.06258	1.4
159.04489	1.2
160.01663	1.1
161.02480	1.2
161.06097	1.6
175.02699	1.6
175.04057	3.1
176.03545	1.2
190.05145	4.3
204.06700	4.6
230.08272	1.2
231.08946	3.7
232.09973	0.9
247.10864	13.1
248.11757	3.3
261.12448	1.0
263.13895	1.2
268.07446	4.9
273.08838	8.5
274.09631	29.0
275.10257	1.8
283.09790	4.9
289.11954	40.1
423.15533	9.8
439.18811	69.0
440.19061	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	482.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67622	0.1
50.87001	0.1
57.19183	0.1
61.98833	11.7
63.99252	0.2
65.75946	0.1
66.25458	0.1
73.02946	0.2
75.59045	0.1
94.92491	0.2
99.92578	9.8
113.72283	0.1
114.93432	0.1
115.92054	0.2
116.92857	100.0
117.01878	0.2
117.92878	0.9
151.20599	0.1
154.54507	0.1
169.35481	0.1
186.26080	0.1
245.78952	0.1
256.23743	0.2
257.23993	0.2
364.28448	0.2
406.97025	0.1
446.20532	0.2
464.21170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57943	0.5
52.72537	0.5
58.78364	0.5
59.01388	3.9
61.98829	4.7
64.02716	0.5
64.36129	0.4
64.45687	0.5
71.01364	0.9
77.09109	0.5
93.03452	0.5
96.95996	0.9
107.05015	1.3
113.02457	0.8
116.05022	0.5
119.04993	2.1
121.02945	1.0
121.59654	0.5
132.04399	0.5
133.02956	6.4
134.03728	90.1
135.04512	89.5
137.02371	0.7
144.04514	3.7
144.78127	0.6
145.02908	2.1
146.06070	4.6
147.04492	0.9
148.05316	8.2
149.06075	31.6
160.01675	4.5
160.04018	0.9
161.02443	13.7
161.06064	1.1
162.03181	0.6
162.05618	6.2
163.05988	0.9
167.03551	0.7
172.04111	0.6
175.03958	5.6
176.03503	1.2
178.05074	1.3
188.03409	0.7
190.05104	7.1
193.05066	0.8
197.04485	0.8
204.06578	4.4
206.04617	0.8
218.18600	0.6
247.10860	2.5
247.59512	0.6
248.31621	0.6
249.12361	0.6
261.12372	0.8
264.17157	0.6
289.15680	4.7
304.16681	8.6
305.17450	8.3
306.18237	28.6
309.12024	0.8
320.19717	8.8
331.15399	0.9
332.16183	29.9
346.17770	3.3
422.14978	0.9
444.15631	0.6
482.16943	5.6
482.22952	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	483.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30733	1.1
50.60279	1.1
59.01401	33.8
61.98832	2.6
66.28416	1.3
71.01395	22.8
73.02943	7.8
84.12823	1.1
84.39981	1.2
85.02940	8.4
87.00866	5.5
89.02440	20.7
96.95986	5.5
99.00836	1.5
101.02439	19.9
113.02442	10.3
113.09729	35.2
117.01811	1.4
119.03483	7.6
119.05013	1.6
131.03505	2.2
133.02945	12.1
135.04515	2.5
144.04523	1.5
146.06123	3.2
151.03914	1.4
155.10846	1.6
159.10269	62.0
161.02386	2.0
161.04564	8.0
162.05571	2.5
167.52771	1.5
172.03983	1.7
177.05534	1.8
179.03410	2.7
179.05615	1.9
220.03691	1.4
221.06709	9.9
232.68797	1.4
249.36887	1.4
292.00717	1.4
297.31613	1.3
429.26089	1.9
483.15387	4.0
483.20901	100.0
501.22818	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	483.2729
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
62.48399	0.3
63.15189	0.3
66.35522	0.3
68.44344	0.3
70.30231	0.3
76.31057	0.3
78.95900	6.7
93.10807	0.3
96.96920	0.4
99.83012	0.3
136.53453	0.3
152.99585	11.6
171.00623	0.7
172.05518	0.3
227.03294	2.0
245.04289	1.3
254.10635	0.4
255.23314	100.0
256.23691	0.8
388.28165	0.3
439.55878	0.3
483.27325	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08517	0.2
59.01389	2.1
61.98814	0.4
64.94898	0.2
71.01383	2.4
73.02951	0.3
83.01357	0.3
85.02937	0.4
86.46574	0.3
87.00858	0.7
89.02440	1.1
96.96001	16.3
98.95574	0.6
101.02424	0.6
101.29633	0.2
113.02444	0.6
116.92853	1.9
119.05016	1.1
120.04527	1.6
127.23568	0.2
132.04523	0.5
133.05061	0.7
134.06117	1.5
134.31462	0.3
137.02382	0.4
144.04565	4.6
147.03256	3.1
148.04074	2.9
158.06108	0.4
160.02963	0.3
160.04034	18.0
162.05609	100.0
163.05962	0.7
174.05600	1.3
178.05112	1.1
184.03635	0.3
186.05617	1.6
188.03540	33.6
199.11340	0.4
206.04602	57.0
207.04945	0.4
230.04614	4.4
248.05638	14.9
262.11673	0.3
278.06677	2.9
308.07800	6.1
386.11658	0.3
409.14917	0.3
484.14639	50.7
485.15051	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04853	0.2
59.01376	1.9
61.53068	0.2
71.01391	2.1
78.44827	0.2
82.39726	0.2
85.02936	0.4
86.04993	0.2
87.00879	0.6
89.02452	0.5
101.02438	1.0
101.09083	0.2
107.04971	0.3
119.05005	1.4
120.04538	1.2
132.04553	1.1
133.05017	0.8
134.06111	1.3
143.04651	0.3
144.04536	5.8
145.02937	0.4
147.03282	3.7
148.04070	2.9
151.04001	0.3
160.04045	17.4
162.05608	100.0
163.05951	1.6
174.05598	1.3
176.03487	0.4
177.12770	0.3
178.05130	1.0
179.86482	0.3
186.05598	2.4
188.03535	32.4
189.03922	0.5
202.05177	0.6
204.06737	0.3
206.04605	64.5
207.04924	1.6
219.85445	0.3
222.26201	0.3
230.04591	3.4
248.05644	15.8
278.06738	3.4
299.91846	0.3
308.07816	5.9
346.86295	0.3
354.98096	0.3
479.95151	0.3
484.14645	56.7
485.14752	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54085	1.3
57.03193	2.2
57.03455	43.9
57.08652	1.4
59.01389	100.0
59.01688	3.6
63.10821	1.3
71.01385	54.6
72.99308	2.9
73.02946	21.5
83.01386	9.7
85.02947	12.7
87.00867	26.5
88.04022	2.6
89.02443	71.1
95.01379	2.9
99.04514	12.3
101.02445	51.4
109.88634	1.4
110.22065	1.5
111.00845	1.5
113.02444	37.0
119.03495	18.4
123.04518	5.4
125.02451	11.5
131.03508	6.4
141.05598	2.0
143.03496	8.5
146.08264	1.7
154.88596	1.6
157.07733	6.0
161.04527	16.0
179.05612	18.2
216.53302	1.6
218.10341	3.3
323.09811	7.4
341.10901	92.4
383.12036	22.1
423.14856	5.4
485.15201	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43491	0.6
53.36764	0.6
53.59610	0.5
54.54743	0.5
55.01865	0.8
58.00587	1.1
59.01387	44.9
61.98808	3.6
61.99098	0.7
64.34422	0.9
71.01384	24.7
72.99286	0.9
73.02928	1.4
83.01375	1.0
85.02956	5.4
87.00874	0.7
89.02442	25.4
95.01396	1.1
96.95980	3.2
100.92875	0.8
101.02432	16.7
106.89978	0.7
109.02932	1.1
113.02456	10.9
117.03422	1.4
119.03482	11.6
121.02962	1.1
133.02950	18.0
134.03780	6.4
135.04523	100.0
136.42909	0.7
137.02431	4.3
140.05832	0.7
144.04500	1.0
146.06142	1.2
148.05307	4.7
148.75404	0.8
149.06105	17.1
151.92279	0.8
153.02202	0.9
156.78816	0.8
160.08887	1.6
161.02449	93.3
162.05612	1.6
163.04041	0.8
175.03993	1.0
175.11330	1.1
177.05577	33.3
178.02751	1.7
179.03508	79.1
189.05585	0.9
196.90335	0.8
202.59853	1.0
203.03462	1.1
217.95938	0.8
219.10312	0.9
221.04576	36.4
251.05624	13.5
251.08020	1.2
281.06668	29.5
290.66757	0.8
298.37775	0.8
323.13498	54.6
341.08694	7.5
382.08145	0.8
443.36063	0.9
485.16660	91.3
486.17090	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	485.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42717	0.4
52.49837	0.4
59.01109	0.7
59.01388	16.0
61.98820	0.6
65.68429	0.4
71.01395	0.6
74.14842	0.4
88.98827	0.5
89.02415	0.6
92.12379	2.1
93.03431	3.8
96.95992	4.2
119.05026	0.7
146.06204	0.5
151.63515	0.5
158.03732	0.8
159.04518	3.6
163.04005	0.8
173.06041	2.6
179.03511	0.5
206.04507	0.6
207.08127	0.9
213.05609	20.3
222.06956	1.0
223.07704	7.3
241.05090	100.0
242.05865	20.2
250.06418	2.2
251.04700	0.8
251.07156	18.7
252.07982	6.0
255.06506	0.6
256.03873	0.7
257.04584	9.7
257.08218	25.2
258.46024	0.5
265.08679	3.0
270.10074	0.5
271.06076	0.7
272.11710	0.8
287.14032	0.5
289.07159	0.7
299.10428	0.7
313.12070	1.9
331.13068	9.6
366.15668	0.8
381.18204	2.8
392.13867	14.8
407.16153	29.7
425.17258	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	485.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.7
61.98829	12.3
63.15922	5.9
74.02467	32.5
78.33689	6.7
97.06612	9.7
100.00395	80.1
103.20752	9.1
111.00882	46.8
111.94277	9.3
113.09756	8.0
120.57457	6.8
125.09703	80.3
128.03557	6.8
137.07208	40.1
144.77080	8.7
163.05139	45.3
171.10454	7.2
187.09763	100.0
191.22270	8.7
216.32672	6.6
220.13370	8.5
238.14436	26.2
257.07056	8.8
281.15051	10.4
293.15125	40.5
293.30344	7.3
299.08023	13.1
320.22339	10.6
389.24628	18.3
404.07254	7.8
421.23364	17.7
439.24524	84.1
451.24615	16.6
485.23203	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03231	0.1
57.03457	2.5
59.01387	0.2
67.01893	4.1
68.86589	0.1
78.95887	0.2
83.01418	0.2
85.02958	1.8
87.00874	12.1
92.11755	0.3
107.11732	0.1
108.78922	0.2
111.00883	100.0
112.01206	1.0
127.24131	0.1
129.01909	0.3
152.99626	0.7
154.99915	0.3
173.00912	6.3
245.96738	0.2
293.21338	0.6
311.22330	1.5
317.11026	0.1
485.23889	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45909	1.2
54.45070	1.3
54.82228	1.1
59.01394	83.8
61.98825	1.3
64.85231	1.2
67.12200	1.2
67.57854	1.1
72.29918	1.4
74.25626	1.4
74.59515	1.3
75.43863	1.4
77.71855	1.1
94.36642	1.4
116.92865	1.9
121.06598	7.5
125.13261	1.6
149.06073	100.0
175.07700	5.5
176.08368	2.0
221.89653	1.2
401.47705	1.9
410.28351	12.4
425.30649	62.6
448.41245	1.3
487.77240	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	486.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91620	0.8
52.22016	1.1
54.16121	0.9
57.91830	1.1
59.01372	7.6
61.98836	1.5
68.80943	1.1
71.01376	7.0
81.95278	1.0
84.84785	1.0
85.02959	2.3
85.89490	1.0
89.02428	2.1
91.27640	1.1
92.11763	4.5
92.12359	3.2
93.03456	1.3
101.02448	2.1
107.05025	26.6
109.23371	1.2
113.02425	1.4
116.05067	20.2
128.05043	5.3
131.03778	7.9
132.04530	2.7
133.02921	2.1
134.03735	17.4
135.04575	7.8
136.04836	1.1
137.02431	1.7
141.93790	1.0
144.04552	61.4
144.05687	2.2
144.08154	2.1
145.02989	1.2
146.06120	100.0
149.06117	2.2
151.03999	4.7
155.16808	1.2
158.06145	2.4
160.01631	4.7
160.04039	5.5
161.02426	5.6
162.02773	2.4
162.05602	36.1
170.06155	1.9
172.04044	42.1
173.33150	1.2
175.04001	2.5
177.05417	1.3
179.03450	4.6
180.03865	1.5
188.03531	2.3
190.05099	59.4
193.05075	12.0
194.05421	1.4
206.04561	8.9
214.05087	5.1
225.41432	1.1
232.06108	9.2
274.07242	8.7
323.13376	1.4
334.09354	20.5
442.15009	8.0
485.16403	1.7
486.16614	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	486.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13225	0.2
53.73659	0.2
56.80249	0.2
58.43032	0.2
58.86513	0.2
61.98836	100.0
75.36919	0.1
77.30064	0.2
98.17111	0.2
133.02968	1.6
134.03746	11.2
135.04485	2.6
136.04880	1.0
147.04576	0.2
148.05321	0.3
149.06091	5.9
150.06436	1.9
158.82787	0.2
175.04106	0.3
212.95804	0.2
247.11066	1.0
248.11624	1.0
273.08936	0.7
274.09515	2.6
275.10205	1.4
289.11984	3.1
290.12228	2.1
307.40692	0.2
313.95865	0.2
354.02408	0.2
423.16046	0.3
439.18835	3.0
440.19150	6.5
440.24857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
61.98832	100.0
72.30872	0.3
127.91771	0.3
133.02953	1.0
134.03749	0.4
146.06148	0.5
161.02496	0.4
162.05637	1.2
164.00180	0.3
164.49342	0.3
181.60161	0.3
188.11485	0.3
193.05109	0.4
227.46161	0.4
339.14282	0.3
361.52347	0.3
413.57977	0.3
418.97067	0.3
459.62186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05387	1.4
58.02973	9.7
59.01381	3.5
59.63973	1.3
61.98825	3.9
71.01379	4.0
71.53757	1.5
74.02476	18.5
76.56820	1.7
80.61436	1.4
82.03001	1.8
85.02953	6.5
86.02477	7.0
87.05612	3.3
96.96028	13.3
99.05643	15.8
101.07155	2.2
102.05570	2.2
109.04032	1.6
113.02464	2.7
114.38683	1.6
116.92844	13.0
118.02988	5.8
125.03593	1.8
127.05122	2.2
128.03514	45.1
135.05669	2.5
141.06674	3.7
143.04625	64.8
144.39082	1.8
145.06163	2.5
146.02454	14.3
153.06744	3.9
160.00735	18.6
162.05566	2.1
167.04610	3.6
179.04601	9.7
181.06203	2.0
210.08862	9.3
254.07809	11.4
263.97495	2.0
272.08893	12.3
288.06613	2.5
306.07660	100.0
424.96716	1.8
486.19501	2.7
487.14566	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	486.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.1
71.01374	7.9
85.02928	3.0
87.00873	0.8
89.02438	5.9
96.95987	3.2
101.02425	4.3
113.02419	1.4
113.68319	0.7
116.05054	4.9
119.05021	0.9
128.04999	1.4
131.03738	3.4
132.04559	15.2
134.06104	0.8
134.82588	0.7
135.06627	1.4
137.36577	0.7
144.03444	1.6
144.04552	33.8
145.04976	0.7
146.06111	27.7
147.03291	3.9
148.04034	0.7
151.06090	1.2
160.04034	65.0
162.05598	100.0
172.04056	11.1
178.05075	9.7
188.03529	79.0
190.05118	19.8
191.05595	3.8
206.04597	28.2
248.05722	1.3
279.96506	0.9
313.11224	1.6
434.03165	0.8
470.43323	0.7
478.81671	0.9
486.16214	99.7
487.16599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62874	0.1
55.63149	0.1
58.38056	0.1
60.02586	0.1
61.98835	100.0
81.51618	0.1
91.07121	0.1
119.05015	0.2
130.08823	0.1
134.03769	0.1
134.54396	0.1
213.55396	0.1
423.19409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03339	0.2
59.01387	3.3
59.15576	0.2
61.98837	0.3
68.84944	0.3
78.31847	0.2
79.87759	0.3
88.04041	58.4
92.12358	0.5
138.84149	0.2
147.08165	3.1
149.09703	2.6
150.25658	0.3
161.09712	1.3
163.11273	4.5
170.11871	0.5
171.12056	0.3
187.11278	2.7
192.07938	0.3
202.33646	0.3
203.10890	0.3
265.12210	0.5
279.13892	1.2
280.14731	1.7
307.16962	1.1
309.22226	2.8
315.70108	0.3
321.18674	0.6
322.19354	0.6
337.21759	100.0
338.22037	2.5
354.18539	0.5
486.26883	14.2
487.27200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20783	0.4
59.01391	5.6
61.98550	0.8
61.98837	18.0
71.01376	3.3
78.83561	0.5
83.01400	0.7
85.02937	0.9
89.02424	1.2
95.44628	0.6
101.02437	2.4
104.55432	0.6
111.55353	0.5
113.02443	0.8
116.31649	0.5
117.65454	0.6
130.08731	100.0
144.31306	0.6
216.97859	0.7
239.74144	0.6
361.36948	0.6
393.57547	0.6
486.27139	65.9
487.27496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82803	0.6
57.03456	0.8
59.01382	10.5
61.98825	0.9
71.01385	9.2
73.02941	0.9
84.95121	2.3
85.02941	0.7
87.00862	0.8
89.02442	9.6
95.01372	0.6
96.96019	6.4
101.02441	5.6
108.04580	0.7
113.02434	5.9
116.92850	0.9
117.03457	31.2
119.03499	2.8
119.05010	26.6
125.02409	1.1
131.03548	0.8
133.06575	0.9
134.03699	1.1
145.02948	100.0
149.06058	0.6
159.04546	2.3
161.06102	2.6
162.05548	2.4
163.04001	40.8
178.02737	1.2
179.05664	1.2
187.03972	5.5
193.05043	3.3
205.05058	0.7
206.04622	1.3
207.50322	0.6
323.09781	1.1
341.10739	0.8
487.14749	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	487.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64249	0.2
59.01385	3.0
66.91235	0.2
71.01382	1.7
73.02946	0.4
74.85437	0.2
78.95904	3.1
79.95724	1.5
83.01420	0.2
84.95142	0.2
85.02950	0.3
89.02429	1.4
96.95998	100.0
96.96880	4.2
99.00872	0.2
101.02425	1.4
113.02470	0.5
116.92829	0.4
117.03443	1.0
119.03500	0.4
119.04979	1.9
132.05826	0.2
133.02911	0.3
133.06577	0.4
134.03671	0.3
135.56808	0.2
137.02388	0.2
145.02950	4.6
161.02425	2.0
161.06110	1.1
163.03979	2.3
205.05095	1.3
209.11880	0.9
209.63416	0.2
235.06177	0.8
265.07184	1.7
316.18649	0.2
325.09299	0.4
367.10510	1.2
389.18173	5.0
397.12289	0.2
478.71823	0.2
487.14810	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89124	0.4
57.03446	0.8
59.01386	13.5
61.98821	2.1
69.57966	0.4
71.01383	9.7
72.99313	0.5
73.02934	2.1
78.95908	0.7
83.01395	0.5
85.02939	3.0
85.06589	2.4
87.00871	2.7
89.02444	5.6
93.03449	0.7
96.95998	18.1
96.96931	1.7
101.02431	7.0
101.06068	0.8
102.06420	0.5
113.02456	4.2
117.03455	25.0
119.03599	1.5
119.05017	41.6
121.02921	1.1
131.03439	0.7
131.07143	6.2
132.02159	2.6
133.06581	2.6
134.03745	3.9
134.04614	0.5
135.04489	0.9
145.02956	100.0
146.03305	0.6
149.06071	1.0
151.07660	0.7
153.01868	1.1
160.01660	13.9
160.03947	0.5
161.02425	0.5
161.04715	0.7
161.06056	6.1
161.09804	0.5
162.05479	0.5
163.04001	40.7
163.07697	0.8
175.03990	17.7
177.05583	2.1
178.02751	0.9
179.03526	1.1
179.10825	0.7
193.05040	4.1
197.06117	1.9
200.96205	0.8
203.10825	4.0
205.05122	6.8
217.05043	1.0
219.52966	0.5
221.11742	4.5
235.06097	5.1
242.00386	0.4
253.63850	0.4
257.76410	0.5
265.05106	0.5
265.07272	7.3
274.99954	1.0
294.92337	0.4
307.08203	5.0
325.09308	2.7
355.10275	6.8
362.95276	0.5
376.29077	0.5
409.16010	0.5
487.14639	32.8
488.14960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.01389	11.0
61.98814	0.4
64.82205	0.4
71.01376	9.2
73.02939	1.9
80.10725	0.4
82.95403	0.5
83.01399	0.6
83.14232	0.5
85.02946	1.6
89.02444	7.0
91.49538	0.5
93.03491	0.4
96.96012	3.1
101.02443	5.8
113.02449	3.5
117.03456	30.5
119.03493	2.7
119.05016	31.2
121.02946	1.0
125.02424	0.7
131.03508	1.0
134.03738	4.7
135.04578	0.5
137.02435	0.5
143.03531	0.5
145.02954	100.0
145.06158	1.9
149.06133	0.9
159.04494	0.9
160.04080	3.0
161.04552	2.0
161.05931	1.3
162.05620	3.4
163.04005	42.8
177.05571	0.5
178.02748	2.0
179.05656	2.3
187.03986	3.2
188.03474	0.5
193.05084	5.4
202.34247	0.5
205.05087	2.0
206.04573	1.7
221.06676	1.7
263.21329	0.4
279.97070	0.5
343.70081	0.4
407.57764	0.4
487.14706	6.7
487.22272	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	487.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63573	0.4
56.14729	0.3
58.98218	0.4
59.01383	2.5
61.98837	100.0
71.01390	0.7
73.02930	0.4
93.03462	0.4
95.81927	0.4
119.05038	4.7
120.05390	0.9
121.59303	0.4
133.02971	0.4
134.03796	0.9
134.98596	0.4
136.15646	0.4
145.02985	0.9
146.06169	0.6
158.45123	0.4
159.17831	0.4
160.04063	0.6
162.05620	9.1
181.55687	0.4
193.05067	0.6
206.04637	4.4
263.61572	0.4
385.27246	0.4
443.51160	0.5
451.24649	0.9
469.15891	0.5
487.30606	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58615	1.3
56.74874	1.5
59.01391	5.0
59.37373	1.2
61.98835	3.4
64.33874	1.4
67.01895	1.6
69.03413	1.6
71.01381	2.5
83.01364	1.6
85.02935	1.7
91.01896	2.9
93.72461	1.5
108.02177	17.2
109.02920	3.0
111.00885	6.0
123.00871	8.9
123.04526	39.7
124.01675	6.7
134.03740	14.0
135.04581	12.1
136.01643	19.3
137.02498	1.8
146.06186	1.5
149.06070	8.3
151.03957	3.7
162.05603	2.8
164.01163	9.0
174.67201	1.5
179.03496	6.3
190.05067	2.9
206.04713	2.1
231.08980	14.9
238.48996	1.6
243.16795	1.5
261.14993	2.7
265.14661	2.3
273.08914	3.8
274.09634	9.7
275.10352	2.3
289.11899	9.2
293.11551	8.1
307.15402	1.9
469.16235	100.0
469.30795	2.4
487.30423	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96565	0.5
58.00605	0.5
59.01392	5.9
64.40097	0.5
69.03465	4.7
77.34252	0.5
83.22021	0.5
84.05287	0.5
90.97153	1.0
95.04989	0.7
113.09727	12.8
127.07689	0.7
132.98254	0.9
133.62250	0.5
145.88979	0.5
174.99205	0.6
185.01282	1.3
191.03963	0.7
195.97960	0.6
197.01337	1.5
199.99997	0.6
211.02904	2.6
239.02472	0.9
245.05090	0.9
251.06024	9.2
253.07625	14.2
254.37956	0.6
255.09189	10.9
263.06006	2.6
265.07581	9.4
267.09146	7.6
268.06339	5.4
285.10089	0.7
295.08627	7.8
296.09436	6.9
297.06567	5.2
297.10223	11.6
299.08240	1.1
309.10220	6.2
311.08078	0.9
325.09750	1.2
326.01807	0.8
328.08490	14.8
349.17017	62.1
350.17560	0.7
367.18057	20.1
385.18854	0.7
427.20169	100.0
428.20187	1.2
434.18863	0.7
447.84631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85525	0.6
59.01389	7.7
60.92116	0.8
61.98837	1.1
67.54312	0.9
69.03445	4.7
71.01368	1.0
77.47535	0.8
93.68230	0.8
97.06541	0.9
99.00880	1.2
113.09718	9.9
131.00301	1.2
157.98920	1.3
173.37654	0.8
174.99174	1.8
190.09987	6.7
209.05006	1.1
209.89610	0.7
211.06544	1.3
213.08128	3.7
221.15021	0.9
225.04517	1.1
227.06105	3.1
229.07539	1.1
237.04405	1.7
237.08122	0.9
239.02400	1.7
239.06024	3.2
241.07626	35.2
247.16963	7.0
251.06009	3.9
253.07495	6.9
255.09160	6.9
257.07071	20.9
265.07568	5.2
267.09213	6.7
268.06369	4.4
269.04059	1.1
269.07040	6.9
271.05103	1.5
271.08688	3.5
283.08655	1.2
285.06577	1.9
296.09415	5.1
297.10193	3.9
299.08203	7.2
301.06110	1.1
309.10260	1.1
328.08441	9.3
329.23434	1.0
349.17023	45.4
365.16614	1.0
367.18051	20.8
427.20169	100.0
428.20673	1.6
433.92590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01383	7.3
60.28297	0.5
62.33487	0.5
63.43466	0.6
63.85124	0.5
71.01392	1.6
82.95427	6.2
84.02177	0.7
89.72375	0.6
95.05043	1.3
99.08154	0.7
111.00909	0.7
137.09744	0.9
139.11288	19.0
149.87781	0.7
163.00839	1.1
171.10312	3.1
185.01416	0.6
199.02911	1.1
214.10324	0.7
223.02924	1.3
225.04417	7.8
227.06078	22.5
239.05957	1.2
241.07657	1.1
242.04793	2.7
253.07625	3.8
255.09195	2.8
263.06006	1.4
265.07599	18.4
267.09171	32.6
269.07111	38.6
271.04953	0.8
279.05627	1.0
309.07074	1.0
309.10254	21.9
311.08215	3.6
327.11362	0.8
337.17145	1.0
349.16995	48.0
365.16602	3.4
367.18103	20.8
411.17078	2.8
413.98657	0.7
427.20184	100.0
428.20346	2.4
477.46835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19801	1.4
58.02964	2.1
59.01379	3.0
61.98825	4.1
64.34016	1.5
66.72017	1.4
70.46169	1.9
71.05023	1.6
74.02461	34.6
83.01392	1.7
85.34566	1.9
87.00879	1.6
90.12171	1.5
96.27490	1.6
97.06563	3.1
99.05646	3.4
100.00399	28.1
113.09724	3.0
123.08162	1.8
125.09700	31.9
128.03525	18.0
137.07077	2.0
139.08813	14.4
143.04599	16.9
170.77176	1.7
171.10291	2.7
177.03407	20.4
187.05264	2.2
187.09694	14.1
210.51520	1.9
221.16586	7.0
222.15135	2.1
226.14523	4.2
234.14948	3.0
239.17610	3.4
240.16127	11.1
252.16029	2.5
265.15594	3.0
283.16623	13.9
306.20459	2.4
309.18250	2.0
316.22748	3.4
334.23907	9.7
341.17120	7.0
353.17175	3.7
373.25137	2.0
378.82794	2.2
379.25745	1.9
391.26163	1.8
435.25052	8.4
448.36703	1.7
453.26010	40.4
487.24847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88117	1.0
58.02991	12.3
58.56482	0.9
59.01367	4.0
61.98827	1.0
74.02473	23.4
76.56994	1.0
82.95419	3.8
90.00181	1.1
97.32090	0.9
99.05635	17.7
104.84436	0.9
131.04623	5.8
141.36588	1.0
143.04619	59.5
177.03386	100.0
206.33102	1.1
250.66119	1.1
265.07739	1.1
267.09204	1.8
427.20297	6.6
501.77814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44825	0.4
53.91605	0.4
59.92469	0.5
61.98829	0.8
68.59984	0.5
92.11792	0.9
99.92606	1.3
100.92530	0.6
106.91281	0.6
109.36467	0.5
113.08530	0.6
115.92039	0.5
116.92849	11.3
117.92858	4.7
124.00378	0.5
135.08156	100.0
137.49121	0.6
144.45505	0.6
146.12125	0.7
147.08150	0.5
148.49040	0.5
150.95071	0.5
150.99173	0.5
156.18962	0.6
163.11278	30.1
196.64696	0.6
250.36343	0.6
293.24887	1.2
311.20193	42.6
312.20331	1.0
348.00452	0.6
451.23792	1.0
487.32251	18.7
488.32056	0.7
495.40112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3221
Annotation	(-)-Eudeshonokiol
Peak:m/z	Relative Intensity
56.01360	0.4
61.98808	0.4
84.99458	0.4
101.12708	0.6
116.92844	1.0
133.06595	2.3
147.08141	1.2
149.09723	96.5
149.52223	0.5
150.10066	2.5
163.11288	73.1
164.11575	0.9
251.09915	0.5
311.20236	23.1
323.20255	18.5
325.17920	0.8
325.21732	16.7
328.00723	0.5
337.21744	12.0
451.79141	0.6
487.32248	100.0
488.32693	7.4
511.96054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11152	0.2
57.01503	0.2
59.01400	0.4
61.98844	7.4
65.03979	5.4
67.01904	2.7
68.69222	0.2
68.98943	0.2
71.01400	1.1
73.02950	0.4
89.33564	0.3
91.01881	2.0
93.03457	0.3
99.65279	0.2
101.02442	0.4
102.70686	0.2
107.91206	0.3
109.02954	58.2
110.03290	0.6
116.05065	8.0
128.05058	1.8
130.06599	0.6
131.03754	3.1
132.04591	0.3
134.03705	0.4
134.98647	0.3
135.00880	13.0
135.04532	1.3
144.04555	20.0
144.08223	0.6
146.06123	42.6
147.06480	0.5
149.06071	1.2
153.01941	100.0
154.02284	1.4
158.06154	1.5
160.01628	0.6
160.07661	0.3
161.02255	0.2
161.68355	0.3
162.05600	6.2
170.06140	0.7
172.04051	10.6
174.05605	1.3
175.04034	0.3
186.05627	1.0
188.03551	0.4
188.07144	0.4
190.05110	16.2
214.05119	1.7
232.06158	1.9
233.96301	0.3
274.07196	1.3
334.09152	2.3
425.17303	0.6
444.12985	1.5
488.12030	16.1
489.12213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64801	0.5
59.01385	5.7
60.91518	0.5
61.98534	1.0
61.98833	14.9
62.76001	0.5
69.81934	0.5
71.01382	0.8
71.70717	0.5
88.51847	0.6
92.65127	0.6
93.03455	64.6
102.91737	0.6
108.02177	0.6
109.02952	3.5
116.05096	1.3
119.05048	1.1
121.86411	0.5
122.02450	0.8
134.03708	2.7
137.02438	100.0
144.04533	3.9
145.04915	0.9
146.06108	8.0
147.04501	0.8
147.06393	1.1
149.01181	2.2
150.01987	1.2
151.04001	0.5
152.01241	1.6
153.01961	5.6
160.01663	2.8
160.04060	1.0
162.05606	6.3
167.03465	1.1
172.04037	1.3
175.04063	2.2
178.02716	0.7
188.03506	2.4
190.05122	4.0
191.05545	0.6
193.05042	3.0
203.35356	0.7
206.04491	0.7
240.17859	0.6
248.05711	1.4
266.14697	0.8
267.03149	0.8
270.96631	0.7
276.09225	0.6
290.06531	0.7
323.07513	0.7
350.08807	5.3
381.74121	0.7
410.88699	0.8
488.12082	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	488.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97178	0.8
54.82178	0.9
55.28960	0.9
59.01379	9.5
61.98836	86.3
62.00295	0.8
63.81343	0.7
71.01374	5.5
71.22634	0.8
71.31136	0.8
73.02943	4.3
81.03382	0.9
83.01402	1.3
85.02939	1.2
89.02444	1.2
93.03452	6.3
93.53384	0.9
100.28998	0.9
101.02438	4.1
108.02172	40.0
109.02948	25.2
116.05029	6.8
118.03015	1.1
119.05017	5.1
124.14909	0.9
125.02436	1.0
128.04962	0.9
131.03745	2.1
133.03018	1.2
134.06094	1.3
135.04449	1.4
137.02454	10.9
144.04538	16.4
146.02457	4.6
146.06126	32.1
147.03224	6.8
152.01157	49.0
153.01933	14.3
160.04053	11.1
162.05612	100.0
172.04060	9.8
188.03545	6.1
190.05107	8.4
202.71858	1.0
206.04611	38.9
281.06656	2.3
308.05542	1.2
315.07224	1.3
353.55756	1.4
487.30606	14.3
488.12061	70.2
488.31064	12.6
489.12418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31281	0.9
51.90828	0.9
54.82768	0.9
59.01394	22.7
61.98846	23.5
66.11732	1.2
71.01395	18.9
71.77625	1.3
73.02959	15.8
85.02956	7.6
88.18226	1.3
89.02448	17.3
95.01363	2.3
99.00233	2.1
99.00880	56.0
101.02414	6.5
101.14754	1.0
113.02457	17.1
121.02873	1.3
122.02483	23.1
123.03252	5.4
131.03493	5.4
133.01727	2.5
134.03725	2.7
137.02461	1.6
138.05611	37.8
143.04538	1.3
145.02928	5.7
148.04013	5.5
149.01195	5.6
149.04532	6.5
160.03976	1.3
164.03458	3.9
166.05101	11.1
177.65652	1.0
179.02277	4.5
185.13252	1.2
191.05609	6.1
194.04570	36.1
203.71960	1.2
236.05649	1.8
243.89243	1.1
245.72618	1.2
265.07089	1.5
292.72778	1.2
368.09906	6.6
488.14139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
64.47987	0.3
65.20644	0.3
72.34232	0.3
74.02467	1.4
82.02986	1.2
83.56398	0.3
84.04527	0.6
85.02971	0.4
89.02436	0.4
92.12376	0.4
92.65334	0.3
95.14397	0.3
98.02412	0.4
100.04053	0.4
102.05602	55.5
109.04102	0.3
121.83495	0.3
122.62531	0.3
127.05163	0.6
128.03529	37.6
129.02052	0.4
144.03038	0.5
145.06177	4.2
146.04593	100.0
147.04897	0.4
170.32591	0.3
324.56210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.9
61.98841	16.4
70.57583	0.3
70.96386	0.3
91.10721	0.4
93.03461	0.9
117.03471	0.9
119.05016	100.0
120.05354	0.5
121.02921	0.6
130.08731	1.9
132.02168	0.6
133.02943	8.6
134.03729	0.6
135.04518	12.4
136.22289	0.4
145.02969	5.9
148.05293	0.5
161.02422	8.6
162.05666	0.4
175.07591	0.5
204.06705	0.5
206.23087	0.4
248.17603	0.6
249.12619	0.5
289.15582	4.0
290.18756	12.5
304.16672	0.9
306.18250	16.1
316.16537	0.4
330.14703	1.5
332.16187	34.7
333.16776	0.5
450.20676	5.1
452.21964	70.0
453.22061	0.8
488.24741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	19.0
60.12094	0.6
60.47264	0.8
60.95027	0.6
61.98822	4.9
62.30315	0.6
71.01389	12.4
73.02934	1.2
75.28264	0.7
81.93719	0.7
83.01388	1.1
85.02937	3.0
89.02444	9.2
92.12439	1.7
93.03439	2.9
94.03749	0.8
97.02940	0.8
99.00852	0.7
101.02448	7.6
108.02165	1.3
110.35995	0.8
113.02431	1.7
117.03464	4.2
119.03469	1.4
121.02937	1.0
128.03532	1.2
131.03532	0.7
132.02168	17.6
133.02954	2.7
134.03738	54.2
135.04489	1.3
137.02472	6.2
147.04478	1.4
148.05220	0.8
149.06100	7.3
151.06172	6.3
152.01166	2.9
158.06604	0.7
160.01666	99.2
161.02385	5.0
162.01860	0.9
162.05586	1.0
167.03514	3.4
170.16376	0.7
173.06133	0.7
175.04005	100.0
176.04767	5.5
176.51941	0.7
177.01898	0.9
178.02745	3.4
191.07147	6.6
193.05066	54.6
207.06653	3.5
220.03836	1.2
228.62201	0.7
235.06133	17.6
265.07132	1.2
266.80975	0.8
295.08163	3.8
306.07809	1.2
413.10782	1.1
489.16156	81.1
490.16422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	53.6
59.05970	0.6
61.98831	3.2
103.64027	0.8
105.07117	11.5
119.04996	1.0
149.06090	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	489.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10967	0.1
58.02985	0.1
59.01384	0.2
61.16980	0.1
61.98835	100.0
63.66808	0.1
71.57874	0.1
94.58046	0.1
95.10361	0.2
101.63258	0.1
147.04572	0.7
149.06044	0.2
164.07184	1.2
221.86845	0.2
234.79530	0.2
267.07922	0.3
283.11047	3.9
326.23990	0.2
426.30087	2.1
436.56973	0.2
489.27304	0.2
511.15884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43794	0.1
55.89756	0.1
59.01390	0.2
61.98837	100.0
62.27374	0.1
73.85681	0.1
78.60453	0.1
92.12440	0.1
104.41266	0.1
108.02179	0.6
109.02989	0.4
120.79358	0.1
132.02219	0.2
134.03723	0.2
146.06171	0.2
152.01193	0.6
153.01985	0.2
159.14169	0.1
160.01659	0.8
161.02586	0.2
162.05635	0.2
175.04065	0.6
179.03619	0.1
190.05136	0.1
427.16269	0.2
491.12079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.5
60.61516	0.3
61.98832	100.0
63.83804	0.2
64.58287	0.2
65.25320	0.2
79.06392	0.2
84.32053	0.3
88.29642	0.3
102.26106	0.3
102.42825	0.3
116.90148	0.3
134.03763	0.4
137.02304	0.3
143.04604	0.4
150.27238	0.2
162.05598	0.4
171.36217	0.3
199.70514	0.3
291.00980	0.3
461.02649	0.3
484.81335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82581	0.4
57.63709	0.3
57.64798	0.4
59.01381	0.7
61.61501	0.3
61.98833	2.4
65.03965	9.9
67.01898	5.0
71.01369	2.4
73.02944	0.5
79.32721	0.3
85.02973	0.7
91.01878	0.7
92.11726	0.6
101.02392	0.8
109.02949	100.0
113.02433	0.8
117.03497	0.6
119.05011	3.1
132.02158	6.3
133.02916	3.3
134.03738	19.1
135.00880	12.1
135.04515	0.9
146.06172	0.4
148.01682	0.5
149.06078	3.0
153.01938	93.9
160.01657	39.3
161.02449	0.7
163.04005	0.6
170.90225	0.4
175.04001	43.3
178.02631	0.9
179.03496	0.5
193.05055	10.2
204.06514	0.6
217.05115	0.5
247.10898	0.8
310.29489	0.5
315.07227	2.4
337.09332	18.8
415.12335	0.7
416.13388	2.7
423.15424	0.5
431.15964	4.4
447.13129	2.9
455.18069	0.5
462.16370	0.5
491.11923	25.6
492.12393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06760	0.3
59.01389	1.6
61.98825	3.6
63.02404	0.7
65.00332	0.6
76.57629	0.4
85.25233	0.4
107.01390	0.7
112.31625	0.4
121.02983	0.5
125.45123	0.3
127.40808	0.4
139.35368	0.4
148.01685	0.4
149.02438	1.9
151.00366	4.8
160.04082	0.4
161.02460	2.4
162.05611	1.4
163.04080	0.7
164.04810	0.5
171.04555	0.4
177.01755	0.4
177.05531	0.6
185.02440	0.5
188.03494	0.6
199.03931	2.7
203.03529	0.8
212.04837	0.5
215.03223	0.4
219.06688	0.7
226.02774	0.6
227.03532	4.6
241.05194	1.7
242.05849	0.5
243.02956	5.2
243.06743	0.4
255.03030	2.5
257.08173	0.7
268.03778	0.6
269.04492	0.5
270.01587	0.5
271.02478	29.8
272.03027	0.6
283.02521	0.6
284.03232	0.5
285.04031	4.6
285.07388	0.7
286.04660	0.4
297.03928	0.8
299.01984	59.8
300.02625	4.2
300.06128	1.3
313.03583	5.2
314.04337	44.9
315.05112	3.0
328.05817	1.6
329.06689	100.0
330.06949	0.8
341.06894	0.4
371.07700	1.7
431.22900	0.6
436.17828	0.5
455.18054	0.9
476.09937	0.6
491.11942	79.9
492.12540	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	491.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60586	0.7
59.01382	3.5
61.98846	2.5
71.01377	1.4
78.95908	1.1
89.02415	1.2
93.03438	5.4
96.96010	6.5
99.68202	0.8
108.02168	39.2
113.02406	1.0
116.92853	1.4
123.04525	16.4
137.02426	8.0
152.01149	82.4
167.03488	100.0
178.97426	1.0
183.29655	0.8
195.19838	0.8
209.04852	0.9
365.63901	0.9
431.11871	1.7
465.04117	0.8
491.13885	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50829	1.0
54.53849	1.1
58.70016	1.1
59.01388	14.0
71.01389	8.5
73.02930	2.0
85.02957	2.2
87.00874	1.4
89.02467	10.8
91.01888	11.3
96.96030	8.3
99.22070	1.4
101.02424	8.1
108.02173	8.0
113.02440	4.8
119.03515	1.4
119.26216	1.2
123.04537	37.9
125.02477	1.5
152.01141	8.2
158.93687	1.3
161.04546	1.6
166.02698	1.6
167.03505	100.0
185.24837	1.1
197.04691	1.3
209.04626	5.0
323.09824	2.2
365.33008	1.2
379.50415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36893	7.6
55.69120	7.9
57.03431	7.6
59.01382	13.1
69.29597	7.8
71.78310	8.8
75.45555	10.2
79.59788	9.5
82.95412	18.3
92.12430	19.1
105.98856	9.7
129.38832	9.8
133.02942	60.7
134.03717	64.5
135.04535	18.8
136.01746	11.4
149.06091	44.4
150.03227	56.6
151.03996	21.2
163.03983	18.4
165.05548	12.3
214.43202	9.2
227.03659	11.9
242.05846	12.8
250.97060	10.4
257.08163	20.7
289.56671	9.7
305.11508	14.4
311.14008	10.1
379.23538	10.7
455.18423	100.0
491.15656	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	491.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	50.7
59.82721	5.3
61.98829	14.4
62.21079	5.6
71.01373	20.4
74.02489	5.6
75.03277	4.6
75.10685	4.9
86.00094	5.1
87.00892	5.8
89.02444	10.2
92.11718	11.4
96.96017	48.7
99.05640	9.1
101.02410	20.0
102.78661	5.4
105.01878	7.4
108.02202	12.3
118.85437	5.8
121.02943	31.3
128.03525	11.1
135.04543	7.4
143.04601	32.2
149.02393	7.7
152.01094	11.5
161.02452	11.0
164.04852	6.1
167.03468	36.5
168.04199	6.4
171.97540	6.3
175.00436	7.9
189.06760	7.8
190.02690	31.3
191.03061	22.8
192.03296	9.3
205.05032	22.7
207.05582	9.0
248.90546	5.9
249.05923	6.1
254.07761	7.3
257.04584	38.5
265.05032	7.1
271.06317	9.8
273.09058	6.2
287.09253	6.2
306.07709	23.3
307.07922	28.1
319.01016	6.0
355.94467	6.8
437.17197	25.0
455.18121	48.2
490.16714	7.3
491.16187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.3
61.98828	3.6
72.57079	2.7
74.30040	2.5
75.17715	2.3
80.34365	2.8
88.98830	3.1
92.11763	9.7
101.02436	3.0
109.02974	4.3
121.02941	2.8
133.02939	3.3
136.01649	16.2
146.03705	13.3
151.03995	22.0
160.04050	3.5
161.02470	9.9
162.05658	5.5
188.03415	3.3
197.47826	2.7
209.68571	2.9
217.56976	2.5
284.52066	2.9
297.11423	3.4
411.19498	6.1
449.25702	5.6
455.18402	17.0
482.43472	3.1
491.15961	5.5
491.26666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26025	1.3
54.63766	1.1
59.01373	6.0
66.05791	1.4
71.01367	2.2
92.12242	6.0
93.03453	20.1
134.27933	1.3
136.01646	9.2
137.02455	21.9
149.02487	2.1
151.00371	7.3
151.03992	8.4
161.02455	3.1
162.05663	2.6
175.50266	1.4
179.03506	7.4
182.11125	1.5
194.05835	7.6
199.03990	2.1
209.08136	3.4
227.03510	7.1
243.03090	3.1
251.16635	1.4
255.03014	2.6
270.10059	5.9
271.02521	26.3
281.06747	9.8
285.03946	2.5
285.12234	2.3
299.01981	59.1
300.02640	6.6
313.03653	3.2
314.04358	40.4
315.04767	1.5
329.06717	100.0
330.07098	2.4
455.17926	6.4
491.11044	51.1
492.11874	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	491.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91817	2.0
59.01394	6.9
61.98827	3.0
68.53201	1.8
70.54778	2.1
71.06956	2.0
76.56927	1.6
93.14042	1.8
133.02875	2.6
135.73036	2.1
136.01671	17.0
145.03000	3.5
146.03717	19.8
146.51852	2.1
151.03976	12.1
161.02408	8.7
261.81741	2.1
267.06577	3.6
287.09665	2.5
297.08133	2.8
297.11343	12.2
396.16977	3.1
411.19263	16.0
431.24231	2.8
449.25601	2.8
455.18005	12.2
466.80594	2.0
488.24405	2.2
491.16281	5.8
491.26669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47284	0.2
59.01384	13.4
65.73234	0.2
69.03454	0.6
69.94299	0.3
71.01384	4.7
72.99306	1.2
73.02947	5.8
75.00865	4.4
83.01409	0.5
85.02956	2.6
87.00867	2.0
89.02436	16.0
101.02428	1.6
102.05592	0.4
103.04008	4.0
129.01950	1.5
131.03491	8.9
146.04573	0.7
147.03024	1.6
148.06175	0.5
149.04553	100.0
150.04866	0.5
179.05699	0.4
341.10999	0.5
414.76398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2659
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.13883	1.0
52.34150	1.0
54.82862	1.2
59.01382	2.1
61.98831	1.8
66.03477	1.8
68.40759	1.1
71.01376	1.3
71.02498	2.0
73.85229	1.0
78.10930	1.0
78.95896	1.9
82.99790	1.0
87.04576	1.1
88.06126	1.2
91.05522	1.1
113.17425	1.2
115.08751	14.4
116.05054	1.9
116.82772	1.2
118.06620	6.4
125.07196	6.0
126.96653	1.1
141.06677	6.8
146.06102	11.4
153.06679	1.5
153.63264	1.2
164.98941	1.2
170.09386	2.2
173.07216	1.3
179.11867	6.0
189.10500	1.4
206.19446	1.4
214.15668	6.2
227.11871	1.6
228.10408	2.0
245.12946	4.5
293.21240	1.3
309.20596	1.6
311.22327	1.6
326.18735	7.3
344.19794	2.0
400.28738	2.1
410.74893	1.2
474.94528	1.2
490.53564	1.5
491.26648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2666
Annotation	Mucronine B
Peak:m/z	Relative Intensity
58.02998	2.0
59.01375	1.7
67.21087	0.3
76.57737	0.3
82.84748	0.3
92.06797	0.3
92.12361	0.6
95.27511	0.3
96.46691	0.3
98.55518	0.3
105.66448	0.3
106.54608	0.3
115.01873	0.3
115.08701	0.5
117.03385	0.3
118.03000	2.2
119.05004	0.7
120.04544	0.3
121.02956	0.6
122.03680	0.3
132.02170	4.4
133.02902	1.6
134.03729	0.4
135.04504	0.7
145.02953	0.5
146.06206	0.3
149.56310	0.3
153.62907	0.3
160.01665	2.1
161.02441	1.4
161.06097	0.6
171.70874	0.3
224.29713	0.3
232.07541	0.4
234.05641	2.7
236.07130	1.7
238.08717	0.5
248.07225	1.1
250.08694	1.1
262.04993	2.3
262.08652	1.1
264.10327	0.5
276.06595	0.7
294.16986	0.3
305.09869	0.3
349.19113	1.0
392.19720	1.3
394.21432	0.4
407.24020	0.3
420.23032	0.4
421.26068	0.6
431.24640	2.8
447.27347	0.6
449.25589	6.9
463.27237	0.5
491.26654	100.0
492.26788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.9
59.01389	78.9
61.98826	14.7
70.34874	2.0
71.01381	73.6
89.02443	81.9
96.96005	2.4
101.02431	24.2
101.63270	1.7
113.02480	13.6
113.09754	2.2
119.03520	10.3
139.11322	8.9
149.04550	3.1
161.04521	7.6
171.10275	20.8
179.05652	22.5
192.83313	2.1
193.12373	4.4
193.21507	2.2
211.13420	2.5
255.53700	2.3
293.21399	18.4
311.18820	3.7
311.22333	100.0
393.22559	3.9
422.82889	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	492.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	0.7
59.01405	6.4
61.98844	100.0
69.03452	1.0
69.59116	0.5
71.01398	6.2
72.99294	0.6
73.02960	1.2
81.34741	0.6
83.01367	0.6
85.02957	1.4
89.02456	1.2
97.02993	0.6
99.04495	0.7
101.02437	3.5
104.81039	0.6
108.92166	0.5
113.02449	2.4
116.04476	0.6
117.03471	4.3
119.55499	0.6
127.11275	1.0
130.08699	0.8
132.02205	0.8
133.02957	6.4
134.03735	49.5
135.04518	21.0
137.02461	1.2
139.11293	3.1
149.06055	4.7
160.01637	4.0
161.02458	22.5
161.06081	3.8
171.10245	9.3
172.10666	1.2
175.04027	6.0
178.02724	0.9
179.03514	5.1
181.12421	0.9
193.05077	27.4
199.13388	1.1
201.11302	1.3
211.13448	6.0
212.13815	1.4
216.85252	0.7
229.14400	1.2
235.06177	4.2
241.14459	0.8
253.07176	12.5
267.08759	0.7
279.98782	0.6
291.17557	0.6
293.21155	0.6
304.59406	0.6
311.22467	1.0
329.23367	13.3
330.23734	6.1
401.25540	1.0
401.93405	0.7
429.11938	67.9
491.28702	10.1
492.28995	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	492.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.7
61.37402	0.4
61.98839	3.3
67.66297	0.5
71.01382	8.0
73.02955	0.9
76.01333	0.7
85.02965	2.2
89.02446	6.2
92.11788	1.0
101.02443	4.6
101.67449	0.5
103.20607	0.5
113.02454	2.5
116.05053	17.2
119.03515	2.7
121.05066	4.5
128.05046	3.6
130.16087	0.6
131.03752	5.4
132.04593	0.5
137.81366	0.5
144.04549	44.1
146.06120	88.3
162.05602	22.0
172.04042	49.6
188.03505	1.1
190.05106	65.8
216.39340	0.5
218.59297	0.6
232.06186	0.7
235.78914	0.6
283.10321	3.9
456.15170	100.0
457.15466	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	492.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89833	0.9
54.82354	1.2
59.01366	1.7
61.98817	5.0
69.20357	1.2
71.50782	1.2
78.95896	46.1
83.88071	1.3
106.32420	1.4
113.09695	1.7
122.00131	1.6
137.83833	1.4
140.01189	9.3
152.99568	5.7
171.00612	1.9
171.10255	13.5
179.14487	1.6
190.63533	1.3
190.88260	1.2
195.13914	17.3
196.03773	10.7
214.04950	2.2
245.46074	1.1
277.21707	36.1
295.22781	100.0
296.22928	1.9
325.18896	1.4
349.36295	1.3
354.39041	1.4
492.20175	2.5
492.27377	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60275	0.4
54.82737	0.7
55.87312	0.5
57.03429	0.5
59.01371	1.1
61.75186	0.6
61.98826	3.8
78.95477	0.9
78.95905	15.6
82.17567	0.6
84.44008	0.5
99.08141	0.6
109.49757	0.6
113.05457	0.5
113.09710	2.2
132.86279	0.7
140.01187	3.1
152.99550	2.3
171.00749	0.6
195.13918	21.9
213.95648	0.6
214.04886	3.9
225.58998	0.6
277.21725	21.9
277.24771	0.8
295.22815	100.0
296.23245	1.2
343.25031	0.9
345.71469	0.6
349.40164	0.6
492.27417	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84772	0.6
57.03446	1.0
59.01384	2.9
61.98836	9.2
63.51043	0.7
67.08940	0.6
78.95909	14.7
83.05075	0.6
96.21853	0.9
96.95927	0.7
103.11480	0.6
113.09695	1.3
114.38293	0.7
123.10230	0.6
140.01134	5.0
152.99609	1.2
161.02388	0.8
179.14445	1.2
183.13930	4.0
189.09355	0.8
195.13910	20.0
196.03833	3.3
214.04852	3.8
277.21732	21.6
295.22818	100.0
296.23053	4.1
311.43243	0.7
337.23856	0.7
492.27414	23.5
493.28018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45755	2.0
53.99459	1.9
54.82537	2.0
58.27217	1.9
59.01385	3.3
61.98837	30.6
75.94437	2.3
78.95903	57.9
85.34492	2.5
91.17581	2.3
93.74068	2.2
115.65995	2.5
140.01210	16.9
152.99631	3.9
171.10271	51.5
183.10223	3.0
196.03807	21.5
214.04805	3.4
277.21765	58.2
295.22818	100.0
474.96298	2.8
492.27438	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94717	0.6
57.03444	0.8
59.01379	2.9
61.98548	0.9
61.98836	19.0
64.90033	0.7
75.83111	0.6
78.95900	30.2
99.57249	0.7
113.09683	1.2
116.92825	3.5
119.74302	0.7
120.44163	0.7
125.09702	1.2
129.16110	0.8
140.01189	9.6
152.99615	3.7
155.07529	0.8
165.51443	0.7
171.10257	20.5
183.13925	1.4
195.13913	12.4
196.03830	7.7
214.04901	6.1
243.45621	0.8
277.21750	38.6
295.22812	100.0
296.23050	1.4
316.73651	0.7
492.27359	42.8
493.27762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1354
Annotation	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside
Peak:m/z	Relative Intensity
59.01374	1.3
62.66230	0.2
63.02401	4.9
65.00325	11.3
71.01354	0.5
71.52091	0.3
80.02649	0.4
81.03407	0.3
83.00919	0.4
83.01379	6.7
85.02914	0.3
95.01332	0.4
96.48313	0.3
107.01385	22.3
108.02173	4.5
108.99290	0.4
109.02919	0.5
121.02936	1.2
123.00845	0.7
124.01659	0.7
125.02420	4.8
133.03001	0.5
136.01653	6.3
137.02443	2.4
138.03212	1.2
145.02863	0.5
147.04440	0.3
149.01250	0.4
149.02431	10.3
150.03188	1.6
151.00368	51.8
151.03990	1.3
152.01129	0.3
153.05534	0.4
161.02458	0.6
164.00003	0.5
164.01146	12.7
164.04787	17.9
165.01929	5.9
165.05528	1.5
166.34090	0.3
168.00510	0.5
169.01442	4.7
173.02470	0.4
175.00359	0.5
177.01947	5.0
179.07144	11.8
187.04066	0.4
188.04776	0.3
189.01788	0.3
190.02721	2.0
191.03421	0.5
193.01407	0.6
196.00137	6.4
204.04242	0.7
205.05081	1.7
213.05627	0.4
214.02727	0.4
215.03506	3.9
216.00737	0.5
217.04706	0.3
229.05040	2.0
231.03008	1.6
239.03445	0.6
245.04578	0.4
247.06134	0.4
255.02919	0.7
257.04471	2.8
266.02301	0.7
272.06839	0.6
273.04022	0.7
281.04434	0.5
283.02615	1.1
287.05795	0.5
287.09344	1.6
288.06235	0.3
300.02921	0.7
301.03546	1.6
313.05661	2.4
315.05066	1.5
316.05875	5.6
331.08258	100.0
332.08661	0.7
373.09271	1.0
426.64487	0.3
491.76260	0.3
493.13675	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	493.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.5
61.98837	2.0
69.03430	1.2
71.01377	7.6
73.02936	6.4
74.21800	1.2
75.77673	1.2
83.01385	2.3
85.02949	5.6
89.02417	1.9
95.01369	1.6
97.02946	1.2
101.02438	9.9
113.02470	4.8
113.89238	1.2
120.00385	1.2
128.05080	7.0
130.06615	86.6
139.11310	2.6
144.14357	1.3
146.06113	20.2
156.04573	18.0
161.04561	27.6
171.10222	11.3
172.04077	1.9
173.10890	1.4
174.05597	100.0
211.13368	8.1
229.14539	9.2
293.21054	1.5
318.09912	11.1
329.23337	19.7
330.23730	14.2
331.24277	8.7
492.29126	5.8
493.30170	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59605	2.5
59.01391	18.4
61.98840	3.8
62.10827	2.0
64.81710	1.9
66.70229	1.8
71.01380	12.1
73.02954	10.1
73.08695	2.1
75.98608	2.0
85.02934	4.7
87.00889	3.3
99.08162	4.0
101.02448	10.0
113.02436	4.5
128.05054	3.1
130.06630	90.2
146.06142	17.6
156.04538	15.3
161.04570	35.1
171.10309	16.2
172.10626	3.8
174.05614	100.0
192.36992	2.4
211.13458	8.1
229.14488	5.1
230.14748	3.1
318.09885	13.0
329.23373	23.1
330.23694	20.6
331.24350	9.7
403.25006	2.2
452.54669	2.2
492.29224	8.2
493.30176	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	493.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29618	0.4
54.83074	0.6
57.03463	0.7
57.20737	0.5
58.24354	0.5
59.01383	4.9
61.98841	0.9
71.01384	3.2
73.02947	1.0
74.37953	0.5
78.95940	0.6
83.01389	0.9
83.46117	0.5
85.02963	4.2
86.62818	0.5
87.00860	1.1
89.02437	1.0
97.02939	0.6
99.08175	0.5
101.02435	2.4
114.54424	0.6
125.02425	0.5
128.05045	6.4
130.06619	92.2
131.06929	1.3
144.04532	0.6
146.06125	24.0
156.04564	16.0
161.04564	34.3
172.04048	0.6
174.05602	100.0
175.06003	1.3
211.13411	1.0
213.25320	0.6
229.14464	1.4
233.87755	0.5
260.74539	0.7
293.21490	0.9
318.09875	14.1
329.23486	4.1
330.23682	2.1
331.24237	0.8
456.10999	0.6
492.29138	4.8
493.29797	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	494.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
61.98835	100.0
63.00391	0.4
71.01382	1.0
80.09512	0.4
93.03471	0.8
93.34151	0.5
96.96015	0.8
101.02513	0.6
101.06394	0.5
108.44689	0.5
116.92819	0.5
122.75403	0.5
124.01657	0.7
137.02461	1.1
140.34776	0.5
162.83954	0.7
195.71822	0.6
233.07607	0.5
233.09967	0.5
381.50058	0.5
410.58331	0.6
431.12567	0.7
433.13226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43315	0.4
56.31971	0.4
59.01387	0.4
61.98834	0.9
76.18615	0.4
78.95906	100.0
96.96964	2.6
110.16194	0.5
110.98524	4.6
118.60291	0.4
120.29361	0.4
122.98533	12.1
132.94229	0.4
168.04312	9.7
182.05911	4.9
361.32285	0.5
391.19025	1.0
394.19952	0.9
405.20502	6.0
435.21609	3.7
476.28009	0.6
494.28925	42.6
495.29169	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44335	0.2
59.01387	7.4
61.98829	0.4
62.26721	0.2
71.01388	3.4
73.02934	0.6
83.01388	0.5
85.02956	1.8
87.00850	0.3
89.02454	3.6
92.11745	0.4
101.02455	2.5
104.57514	0.3
113.02438	1.8
117.03452	3.3
119.03487	1.6
119.05013	2.3
132.02170	0.6
133.02953	22.3
134.03734	0.5
135.03552	0.5
135.04515	10.4
135.06628	1.7
137.02376	0.3
145.02963	9.6
149.06114	0.5
161.02448	100.0
162.02817	0.7
163.04027	3.6
177.05643	0.6
179.03514	7.1
181.05087	1.3
205.05000	0.3
221.04684	0.6
240.85695	0.3
265.07251	0.4
267.72241	0.3
271.50839	0.3
281.06543	1.2
302.64264	0.3
374.49008	0.3
419.59592	0.3
457.13449	0.6
459.15140	67.4
460.15393	1.6
495.11926	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06910	0.9
53.42487	0.9
54.42376	0.8
55.01889	1.6
55.75874	0.9
58.08785	0.8
59.01387	100.0
61.98824	1.2
65.67371	0.9
69.03447	1.4
71.00987	1.9
71.01382	45.9
73.02944	76.7
83.01382	16.5
85.02934	7.4
89.02425	7.4
95.01403	2.0
101.02441	49.4
113.02448	13.1
114.40771	1.2
119.03477	2.1
131.03491	4.1
132.69843	1.0
137.56100	1.0
143.03508	2.1
143.83774	1.1
149.04550	4.8
155.03491	1.1
161.04533	9.9
169.10149	2.6
185.13409	6.7
221.06810	1.3
229.12340	58.2
289.14688	1.1
298.06027	1.2
451.19641	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95504	0.6
54.01886	0.8
55.64529	0.6
57.03462	1.4
62.21921	0.7
64.22478	0.8
64.36292	0.7
72.30437	0.8
78.95907	1.7
79.74722	0.7
92.65637	0.9
100.54241	0.7
101.91804	0.8
111.08199	1.4
116.92854	1.3
139.11288	27.9
148.76868	0.8
152.99646	1.0
153.64520	0.8
155.10803	3.5
167.10712	6.2
171.10268	1.2
183.10255	7.9
201.11343	24.7
249.22261	1.0
265.22113	0.9
293.21286	10.7
311.22311	100.0
358.92389	0.9
430.89810	0.9
477.32269	3.7
495.33325	14.9
501.69247	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	496.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17562	0.2
59.01387	2.2
60.61902	0.2
61.98833	1.4
71.01386	2.6
73.02946	0.4
85.03003	0.2
87.00892	1.8
89.02451	0.2
89.56191	0.2
99.00875	1.5
99.08167	0.3
101.02437	1.1
113.02460	0.4
116.05049	2.8
118.06625	0.5
128.05070	4.1
131.03767	6.3
132.03583	0.4
132.04547	9.1
142.06650	0.3
144.04556	30.8
145.80551	0.3
146.06126	100.0
147.06487	0.5
158.06117	3.0
160.04050	1.2
161.08304	0.3
162.05605	5.3
170.06123	5.6
172.04047	25.1
186.05635	2.8
188.03528	1.2
188.07155	0.4
190.05113	78.8
191.05449	0.4
192.07516	0.2
206.04811	0.2
214.05124	3.6
232.06163	11.2
244.06090	0.3
262.07220	5.9
292.08313	10.7
352.10571	0.4
413.31009	0.2
496.18320	40.3
497.18237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80486	0.3
59.01381	2.3
71.01367	1.7
82.32119	0.2
83.07080	0.3
87.00855	1.5
87.54062	0.2
89.02458	0.5
99.00875	1.7
99.08096	0.3
101.02441	0.6
113.02386	0.3
116.05023	2.8
118.06638	0.4
126.76442	0.3
128.05061	4.3
131.03755	5.3
132.04556	9.5
144.04558	29.8
145.84331	0.3
146.06126	100.0
147.06473	0.5
158.06087	2.5
160.04066	0.5
161.08087	0.4
162.05640	4.4
170.06137	5.7
172.04042	22.1
186.05690	2.9
186.07309	0.3
188.03575	1.2
188.07210	0.4
190.05119	78.1
191.05444	0.3
214.05147	3.0
216.12193	0.3
232.06152	11.3
262.07202	5.4
292.08295	9.6
352.10550	0.4
449.47650	0.3
496.18317	46.3
497.18472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11715	0.2
51.29794	0.2
52.05852	0.2
53.49984	0.2
61.98841	4.3
72.23924	0.2
78.95901	56.6
92.11708	1.1
96.96954	7.0
112.13373	0.2
112.48548	0.2
150.59758	0.2
150.98032	1.5
152.99585	100.0
153.99921	0.3
171.00626	3.0
255.23332	0.9
259.64090	0.3
279.04950	0.2
279.23331	1.1
284.83682	0.2
409.23636	7.9
433.23615	20.8
434.23853	1.0
496.26785	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	496.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30927	0.5
58.02956	0.6
59.01380	1.1
61.98546	0.7
61.98837	14.6
78.41838	0.7
78.95896	0.6
80.16317	0.5
93.03443	0.7
105.98566	0.6
107.05061	1.3
109.02936	1.4
117.03439	1.0
119.05035	10.5
121.02960	2.5
132.02180	2.8
133.02951	15.1
134.03737	71.4
135.04523	31.5
137.02486	1.2
144.04541	0.8
145.02963	3.3
146.06184	0.6
147.04495	5.7
148.05286	6.5
149.04860	1.4
149.06079	38.9
150.03279	0.6
159.04491	1.0
160.01651	8.2
160.04007	1.0
161.02467	10.4
161.04924	0.6
161.06044	5.9
162.03320	1.5
162.05626	11.1
162.06870	1.0
173.06119	0.9
175.02689	3.5
175.04016	12.5
176.03542	4.5
178.05074	4.3
186.05377	0.6
188.03581	1.2
189.04341	1.3
190.05070	4.3
193.05064	2.5
204.06631	9.3
206.04633	3.9
218.08218	1.1
238.06372	0.9
247.10883	3.4
249.12383	1.0
261.12460	3.9
265.05118	2.5
267.06754	2.3
275.14050	3.5
281.08127	3.9
290.18887	0.8
298.04712	4.3
303.16205	0.7
304.16699	23.2
305.17480	12.8
306.18237	3.0
313.12030	0.8
316.16702	2.4
318.18179	2.4
320.19809	11.1
331.15460	10.5
332.16055	1.3
341.06802	3.7
346.17749	21.3
385.24921	0.8
417.27072	0.8
422.14972	4.0
436.16000	0.7
436.22409	1.1
437.17206	14.0
461.10947	2.8
480.21503	4.4
481.22281	2.6
496.24619	100.0
497.24960	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	497.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01382	51.7
60.47034	1.7
70.03314	1.8
70.17056	2.0
71.01391	23.9
72.99313	2.9
73.57465	1.8
83.01360	2.6
85.02928	11.8
89.02425	22.0
92.29059	1.9
93.03484	2.7
96.96012	3.1
99.00870	2.1
101.02431	14.6
113.02470	8.9
119.03474	4.2
124.05295	2.2
125.06010	2.0
133.06543	2.6
134.03767	3.1
135.04536	4.6
137.02513	2.9
138.06853	11.3
139.07652	22.7
141.01701	2.8
146.06087	2.7
151.07635	8.4
160.01669	4.5
161.02448	2.4
162.94440	2.0
165.09262	2.1
175.04037	9.8
175.07605	4.0
191.10779	57.1
209.11874	2.7
221.76178	2.0
229.08525	8.9
253.07162	3.2
253.10916	4.5
273.07397	2.4
275.08929	14.6
319.08627	2.1
323.09726	2.6
343.65201	2.2
355.10559	2.3
415.16132	100.0
437.14334	56.4
481.13196	2.3
497.15533	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	497.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03448	1.4
57.69556	0.5
58.00615	1.4
59.01388	100.0
61.98840	3.3
63.54986	0.5
67.88033	0.5
69.03456	0.9
71.01385	37.8
72.99321	1.3
73.00867	0.5
73.02948	34.5
78.95910	5.6
82.95396	2.2
83.01401	8.6
85.02946	7.7
87.00884	1.0
88.38109	0.6
89.02448	20.5
95.01379	3.1
97.10722	0.6
99.00858	0.7
101.02444	32.2
113.02457	9.3
115.05045	0.6
119.03519	6.9
125.02505	0.8
131.03543	1.1
143.03537	1.3
150.41362	0.6
152.99568	4.2
161.04579	3.5
164.55424	0.8
221.94006	0.7
231.13982	4.2
250.65396	0.6
372.07593	0.6
393.19278	1.0
411.20383	3.0
453.21362	90.8
454.21674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20775	0.2
59.01382	4.1
61.55316	0.2
61.79969	0.2
63.89314	0.2
68.02549	0.2
71.01373	2.8
72.99315	0.2
73.16931	0.2
81.12887	0.2
82.45953	0.2
85.02931	0.4
89.02429	5.4
97.00420	0.8
101.02431	1.8
111.00905	0.3
113.02419	1.9
114.05593	100.0
115.05953	0.3
119.03457	2.0
138.71451	0.2
143.03519	0.3
156.06656	60.4
156.74147	0.2
157.03644	1.5
161.04593	0.2
179.05600	2.2
341.10889	14.0
346.13474	0.2
392.24670	0.2
441.55475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	4.8
78.95898	54.4
96.96954	6.7
148.33923	0.5
150.98035	3.2
152.99590	100.0
166.33926	0.5
171.00664	2.8
206.71425	0.5
237.68538	0.5
246.11362	0.4
274.92694	0.5
281.24881	2.0
435.25174	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42295	0.4
59.01377	1.8
61.98832	18.0
71.01398	0.6
73.02947	0.4
75.00861	0.6
79.95731	47.6
80.96510	0.7
82.04240	0.4
87.08655	0.4
95.95222	13.9
96.96001	100.0
103.21798	0.4
110.97562	6.6
115.07600	0.4
124.01638	0.7
131.72369	0.4
133.02940	0.6
134.03716	0.6
135.04564	0.6
141.95761	1.5
144.04581	0.4
146.06136	0.6
149.99937	0.9
151.00513	0.6
151.04095	0.5
152.01134	1.8
153.01913	0.4
161.02374	3.1
162.05574	1.5
166.02727	2.2
167.03493	2.4
175.04007	0.5
181.05057	2.0
191.07114	0.5
192.04333	0.7
193.05077	0.8
206.04584	0.5
207.06697	0.5
208.07458	0.4
272.33334	0.5
289.03754	0.9
389.12427	2.1
415.21368	0.4
443.98206	0.4
463.12592	0.7
469.08118	0.9
484.10205	2.8
498.25699	0.5
499.12878	65.2
500.13324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72754	0.3
59.01389	1.2
61.98847	3.7
68.99171	0.4
77.55070	0.4
79.95738	22.7
79.96208	0.9
92.12373	1.0
95.95230	12.3
96.96008	100.0
110.97587	7.8
138.03207	0.8
144.04588	0.7
146.06128	1.0
149.01219	2.4
151.00739	3.0
152.01187	1.1
160.03989	0.6
161.02444	0.7
162.05634	2.6
164.03479	0.6
166.02713	0.6
181.05005	0.9
188.03519	1.1
190.05096	0.9
193.05017	0.9
206.04619	1.2
289.03851	2.5
389.12427	2.8
413.09091	0.8
469.08121	5.1
484.10571	2.5
499.12842	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82621	0.2
59.01387	2.2
60.99320	19.7
61.98843	2.4
73.64816	0.3
80.13938	0.3
83.01431	0.4
83.05028	2.1
87.00887	0.6
88.00391	0.6
88.98807	100.0
89.02448	3.7
107.01385	0.6
107.31197	0.2
119.05023	11.1
130.08768	0.4
133.02922	0.4
134.03728	8.7
135.04547	3.0
145.02972	0.4
149.06067	4.3
151.00366	3.3
160.01682	0.4
164.01175	0.5
165.01924	0.3
175.03996	0.5
177.02112	0.3
204.06674	0.4
210.03255	0.3
216.10316	0.5
243.17252	0.3
247.10855	0.5
247.44055	0.3
259.10861	3.9
274.09518	1.5
289.11917	2.7
301.07227	5.7
303.38858	0.3
328.87552	0.3
409.17737	7.1
410.18228	0.5
421.31976	1.3
439.32687	2.0
463.12595	1.4
470.32327	0.4
498.31940	0.6
499.32227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74472	0.4
55.01878	0.4
59.01115	0.6
59.01387	13.3
61.98824	1.1
63.86167	0.5
68.32326	0.5
71.01385	8.4
72.99274	0.5
73.02934	0.7
78.85950	0.4
83.01355	0.7
85.02923	1.0
89.02451	5.9
99.08104	0.7
101.01838	0.5
101.02408	4.5
103.03825	0.5
105.03484	0.6
108.02190	0.6
113.02436	3.2
115.65383	0.6
117.03458	7.1
119.03487	0.6
119.05001	0.8
121.02894	0.6
123.00991	0.7
123.04584	0.6
125.02433	0.7
132.02171	2.6
133.02953	11.0
134.03735	85.0
135.04546	8.7
136.01691	3.2
137.02437	3.0
146.03812	0.7
147.04527	15.6
148.05333	10.1
149.06090	15.5
151.03995	3.1
153.05589	2.0
158.03716	5.7
160.01653	19.8
161.02461	5.0
162.03200	1.1
162.06955	0.8
163.04008	2.5
163.07646	0.9
164.04814	2.2
173.06052	3.8
174.03180	3.0
175.04005	32.1
176.04779	46.3
177.01924	11.4
177.05449	1.1
178.02724	9.4
179.07095	0.6
189.05539	0.6
191.07137	54.6
192.04288	6.6
193.05055	72.9
194.05394	1.0
207.06639	23.5
220.03801	9.3
235.06117	100.0
236.06505	1.2
265.07175	14.8
295.08258	14.5
318.64313	0.5
323.13452	14.7
355.10382	1.2
489.25552	0.6
499.18289	70.9
500.18585	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	499.1827
Annotation	Rolapitant
Peak:m/z	Relative Intensity
52.66826	1.0
59.01110	2.0
59.01384	36.4
59.40365	1.1
61.98601	1.0
61.98835	17.7
62.72308	1.1
71.01379	12.3
73.02967	1.6
77.11019	1.1
83.27088	1.3
85.02924	2.2
85.06561	1.5
88.98781	2.4
89.02446	10.1
89.82785	1.2
101.02428	6.9
113.02424	5.8
116.42160	1.3
117.03448	7.2
119.03453	2.7
119.05001	7.1
121.02898	2.1
131.07121	6.5
132.02179	3.0
133.02972	12.0
134.03732	82.9
135.04475	8.1
137.02449	2.2
147.04515	13.9
148.05301	8.4
149.02431	5.2
149.06087	17.7
151.04085	2.3
152.99532	1.3
158.03691	3.0
159.04485	1.2
160.01639	32.0
161.02469	5.2
162.06897	1.8
163.03989	2.8
164.04753	8.4
173.06056	2.0
174.03233	1.5
175.03995	37.8
176.04797	40.0
177.01971	9.2
178.02686	8.5
190.02745	2.7
191.07140	56.0
192.04393	2.1
193.05049	79.2
203.72801	1.3
205.05103	2.7
207.06654	18.4
217.04973	1.9
220.03799	9.7
221.04388	1.2
235.06120	100.0
265.07162	13.0
293.12485	13.4
295.08194	16.7
295.78125	1.2
301.19995	1.3
323.13550	22.2
499.18250	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.23255	0.1
95.83855	0.1
96.96014	0.3
119.05022	1.0
134.84412	0.1
145.02997	0.3
177.22560	0.1
199.35516	0.1
290.18793	0.1
436.22598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06530	0.4
57.77834	0.5
59.01392	0.5
59.24337	0.4
61.98828	1.2
65.53635	0.5
68.99568	2.1
69.03462	8.0
74.13738	0.4
77.67965	0.5
85.96906	0.5
87.77036	0.5
95.99539	0.5
97.02937	3.5
112.98558	0.9
113.02447	4.5
120.66273	0.5
121.02929	3.4
135.08125	0.6
147.88657	0.5
149.08766	0.5
151.11273	3.8
157.54172	0.5
169.01379	2.8
169.02654	0.5
180.49995	0.5
187.14915	2.3
203.14436	1.0
205.15984	16.0
231.13913	7.7
249.14952	100.0
250.15253	2.2
431.10016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13192	1.9
52.27943	1.9
55.31757	2.4
58.02970	10.8
72.00859	2.9
74.02460	15.1
78.95901	3.8
79.79081	2.3
82.02983	2.8
86.02484	4.0
96.96006	77.4
96.96923	4.2
97.04045	3.1
99.05627	26.3
109.04082	3.6
128.03546	52.1
134.03749	10.4
135.05612	5.3
141.06712	4.0
143.04630	82.9
147.03310	2.9
153.06760	2.4
160.00716	19.1
160.04077	3.8
162.05621	24.2
166.09842	2.8
167.04646	3.2
177.03419	10.5
179.04636	11.9
188.03517	5.1
206.04584	9.8
210.08861	10.4
254.07912	12.8
272.08893	19.0
288.06540	5.2
306.07684	100.0
423.55222	2.8
500.13763	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	500.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93675	0.2
59.01386	2.3
59.45807	0.2
61.50042	0.2
64.75290	0.2
64.96843	0.2
71.01368	2.1
73.02940	0.5
85.02948	0.3
89.02424	1.6
92.05882	0.3
93.74359	0.3
96.95984	1.1
99.00885	1.8
101.02521	0.3
113.02431	1.0
119.05000	1.4
120.04509	1.1
131.07002	0.3
132.04616	0.4
134.06104	2.1
144.04543	3.0
146.06140	0.3
147.03271	3.5
160.04039	11.2
161.04817	3.2
162.05603	100.0
163.05922	1.6
188.03529	6.6
192.99661	0.3
204.06673	0.5
206.04591	30.9
207.04962	0.4
248.05484	0.3
285.04318	0.4
293.12613	0.5
368.09811	2.4
500.14148	49.4
501.14481	1.9
503.94867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50213	0.4
58.00587	0.6
59.01385	31.8
71.01385	12.9
72.99290	0.9
73.02948	0.6
83.01384	1.7
85.02950	3.2
85.06593	8.4
87.00835	0.8
89.02441	17.3
95.01359	0.5
96.95988	1.0
99.00903	0.6
101.02448	11.9
104.05109	0.6
113.02462	7.9
113.06071	2.7
115.07635	2.0
116.59424	0.4
116.92842	1.0
117.03445	1.8
119.03498	6.3
119.05036	0.7
120.04543	0.9
127.07652	2.1
128.91946	0.4
131.03558	0.7
131.07141	36.8
132.04550	2.8
134.06178	0.8
135.04526	2.9
143.03601	0.4
144.04570	1.9
146.08250	1.0
147.03322	3.3
160.04047	74.1
161.04591	1.9
162.05614	56.4
163.05911	1.6
173.08206	0.6
178.05136	4.8
179.05659	1.0
188.03564	4.2
206.04608	25.8
219.21350	0.5
222.04088	3.3
224.32410	0.4
248.05400	0.5
293.12460	100.0
310.64059	0.5
327.60861	0.5
500.14200	9.7
510.48129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22672	0.4
59.01384	100.0
73.02954	0.5
78.95908	5.7
84.27620	0.4
87.49555	0.4
96.96962	3.6
103.49305	0.5
110.74451	0.5
114.98891	2.1
122.60787	0.5
132.98215	3.1
134.97057	1.9
156.99883	4.3
157.03651	2.6
158.92526	1.7
159.00281	0.5
159.01463	3.3
174.99252	26.9
176.98163	1.1
185.54883	0.6
201.02573	37.3
202.02782	0.8
215.04230	0.8
217.00316	82.2
276.98315	2.2
299.01172	1.2
332.09183	0.5
343.03708	4.6
359.01505	44.8
501.04593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63998	0.7
53.40494	0.7
55.30111	0.7
59.01386	25.6
61.98824	5.4
71.01025	1.4
71.01379	17.2
73.02957	1.5
81.95338	1.0
83.01373	1.0
85.02959	4.2
89.02440	12.3
92.11727	2.7
93.03453	1.6
96.96003	5.9
98.95583	4.7
101.02430	8.3
107.05039	1.8
113.02430	7.0
116.05882	0.9
119.02771	0.9
119.03465	6.6
119.05000	3.0
121.02953	5.3
123.00862	1.0
133.02928	1.7
133.05087	1.8
134.03738	4.4
134.06079	1.0
135.04532	7.6
137.02481	1.4
144.04614	1.8
147.03307	3.7
147.04559	6.0
149.02432	55.5
151.04013	1.1
159.49661	0.8
160.04034	9.5
161.02448	1.2
162.05612	58.6
163.04007	24.0
164.04788	52.8
165.05537	8.4
166.02670	1.6
173.02437	5.7
175.00325	1.4
176.01151	4.3
177.05547	7.2
178.06407	2.1
179.03514	2.1
179.07040	9.1
181.05017	1.3
188.03549	4.1
188.04956	2.1
189.01939	1.3
190.02742	24.8
191.03497	26.0
193.01454	2.0
193.05009	2.1
194.05908	1.1
203.07156	3.5
204.04396	1.2
205.05070	27.8
206.04520	21.1
206.06215	34.8
207.02975	19.0
207.06528	1.1
208.03813	10.9
221.08202	44.8
222.05418	4.5
223.06126	68.8
235.02553	5.8
237.07689	18.7
247.06207	1.2
250.04840	19.1
250.07170	1.4
265.07178	85.2
295.10532	50.7
325.09317	12.7
399.05179	1.0
501.16281	100.0
502.13330	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	501.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71931	0.7
59.01396	19.2
61.98832	1.2
62.67182	0.7
65.15266	0.7
69.03458	1.1
71.01389	1.3
73.35655	0.6
74.00955	0.8
86.30281	0.7
90.97145	1.2
93.03471	3.7
95.05029	15.6
97.02956	0.8
99.08147	1.2
104.24618	0.7
106.18678	0.9
109.27589	0.7
129.29475	0.9
132.98181	7.5
139.11307	7.9
139.79742	0.7
174.99287	1.7
185.01189	0.8
186.99356	0.9
187.43764	0.9
193.12346	4.8
223.02921	1.7
225.04517	4.0
225.14952	11.2
226.01584	1.0
227.06030	13.4
241.04041	1.0
241.07368	1.1
242.04759	1.0
247.06503	1.8
249.08057	7.1
251.02515	2.0
258.04160	5.8
263.06125	1.2
265.04016	16.2
265.07285	9.8
267.09213	10.6
269.07086	14.2
270.00626	1.8
279.09113	1.1
281.10867	1.0
284.02353	1.0
291.09216	22.0
295.08640	1.5
298.03677	1.0
307.08731	1.5
309.06885	1.3
309.10202	14.2
311.08160	1.8
312.05090	1.5
323.11627	1.8
340.08450	24.2
341.12863	29.0
347.15680	2.8
349.13516	1.2
349.17017	34.2
367.18240	3.7
381.19626	39.1
385.11877	8.8
405.30655	0.9
425.18546	3.7
441.21765	100.0
474.43011	0.9
517.70929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10769	0.4
57.03439	0.5
58.00588	3.2
59.01111	0.7
59.01386	17.5
61.98823	0.5
63.81056	0.4
64.19522	0.4
66.59581	0.4
71.01381	17.8
72.99295	0.7
73.02940	8.0
75.00874	4.4
83.01331	0.5
85.02951	5.1
87.00843	0.6
89.02436	2.9
90.32162	0.5
95.01369	1.0
97.02930	0.4
99.92569	2.6
100.66400	0.5
101.02444	5.0
101.31865	0.4
111.08152	0.8
113.02444	7.5
115.92067	2.0
116.92856	17.0
124.12557	0.5
125.02459	0.6
125.06087	0.7
143.03476	0.6
161.04512	2.1
176.98425	0.5
257.22693	0.5
263.23752	3.0
265.25372	1.0
275.23761	4.0
279.23294	100.0
280.23611	2.0
289.00482	0.6
289.25452	2.0
291.23322	0.7
293.24878	34.9
295.22589	0.7
303.23358	2.9
305.24893	1.0
321.24377	22.9
333.24445	4.5
351.25577	4.9
353.88971	0.5
375.25476	0.8
502.19046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82916	0.4
51.82722	0.3
53.65830	0.4
53.93251	0.3
54.82607	0.4
58.00590	0.6
59.01385	6.4
61.98819	0.9
71.01385	14.0
73.02940	1.8
74.22296	0.4
75.00868	1.0
75.04501	0.3
79.74249	0.4
84.02174	0.4
85.02943	0.6
85.13760	0.4
89.02454	3.1
95.24678	0.4
101.02424	2.2
113.02436	2.8
116.92838	0.6
279.23303	100.0
280.23740	0.6
289.25714	0.5
293.24817	3.1
303.23425	3.2
304.25540	0.5
305.24762	0.5
321.24359	9.2
333.24445	1.8
351.25290	2.5
403.97891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44886	0.4
57.03452	0.5
58.00594	3.4
59.01391	75.0
67.49503	0.4
71.01392	8.7
72.99277	0.5
73.02953	8.6
75.00873	1.1
78.25160	0.5
83.01418	0.8
85.02944	3.9
89.02441	3.0
97.06557	0.7
101.02436	2.2
113.02440	7.3
119.03497	0.7
125.06068	1.0
134.89494	6.0
161.04549	1.2
178.79448	0.5
182.54771	0.5
263.23813	2.8
265.25372	0.9
275.23798	2.9
279.23297	100.0
291.23465	1.0
293.24872	37.2
303.23126	3.7
321.24341	8.5
333.24240	0.9
351.25366	1.0
413.09283	0.6
474.89911	0.6
501.16406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83185	0.5
59.01396	4.6
67.36941	0.5
69.97318	0.5
91.35104	0.5
107.88747	0.7
116.92818	0.9
141.01845	0.6
144.80312	0.5
149.09720	100.0
150.10081	0.8
163.11284	37.4
178.50928	0.6
216.48097	0.6
255.23343	4.7
325.21747	43.2
326.22156	0.9
337.23746	1.1
339.23267	2.1
341.24817	0.9
354.47977	0.7
385.58856	0.6
501.33829	23.1
502.34128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96365	0.7
55.45275	0.7
61.98820	1.5
63.00770	0.7
64.47242	0.8
92.11759	1.7
115.92103	1.1
116.92821	1.4
137.50346	0.9
149.09721	87.6
150.10042	1.7
162.06197	0.8
163.11285	100.0
164.11623	0.8
205.96426	0.9
325.17880	1.8
325.21756	60.6
326.22269	3.3
337.21829	4.5
501.33789	60.7
502.34079	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68986	0.4
59.01379	2.6
61.98832	5.4
64.46420	0.4
69.38396	0.5
71.01392	3.3
73.02936	0.7
74.49210	0.4
83.01382	0.5
85.02946	1.7
92.12436	0.6
93.03484	0.7
99.00863	0.4
101.02435	2.0
102.05576	0.8
104.05080	0.4
107.04288	0.6
107.05024	17.5
113.02435	0.8
119.05016	2.3
120.04576	1.9
123.04481	0.7
128.03558	0.7
131.03758	0.5
132.04549	14.2
134.03719	0.9
134.06122	0.8
137.02455	0.8
144.04552	20.2
146.04521	0.6
146.06084	1.0
147.03278	5.8
148.04051	0.7
151.03992	4.0
158.06148	1.8
159.03278	3.7
160.04047	59.8
161.02486	0.5
161.04828	6.4
162.05614	100.0
163.05943	0.6
172.04077	0.5
174.05609	2.2
175.02721	0.8
176.03586	0.7
176.07172	2.0
178.05064	7.1
186.02061	0.5
186.05614	4.0
187.02725	3.3
188.03539	64.0
189.03838	0.6
190.05064	1.9
200.09387	0.4
202.05089	6.2
203.07466	0.5
204.03046	2.8
204.06680	8.8
206.04601	21.7
218.40295	0.4
228.06714	1.6
230.04613	8.0
247.04868	1.9
248.05659	13.2
276.64606	0.4
290.06821	6.6
302.07562	1.0
350.04773	0.7
350.08838	14.6
458.14603	9.7
466.23593	3.0
478.76889	0.6
484.12134	0.6
502.13568	34.3
502.21420	1.2
503.14148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18629	0.2
59.01383	2.6
60.01751	0.2
60.18399	0.2
61.98833	2.1
69.47837	0.2
71.00646	0.2
71.01411	1.3
71.95363	0.2
72.99312	0.2
85.02990	0.4
89.02471	0.9
101.02442	0.4
103.67000	0.2
107.04987	0.2
110.57664	0.2
113.02472	0.3
119.03528	0.3
119.04993	1.4
120.04564	1.8
122.03318	0.2
126.62917	0.2
128.03552	0.4
130.08730	7.4
132.04568	0.4
133.02953	0.2
134.06126	2.2
135.04524	1.1
143.04622	0.7
144.04562	2.1
147.03270	5.1
147.04422	0.4
149.02417	2.5
150.02824	1.2
151.04063	0.4
158.05074	0.2
160.04034	11.4
161.02460	0.5
162.05609	100.0
163.04022	0.9
163.05934	1.3
164.04791	2.8
165.05186	1.0
175.78459	0.2
176.01076	0.2
177.05576	0.3
178.05014	0.3
179.03516	0.3
179.07100	0.3
188.01933	0.4
188.03526	6.9
188.05211	0.3
190.02692	1.0
191.03391	1.4
192.03845	0.5
205.05014	1.3
206.04576	49.4
207.02933	1.0
207.04655	0.4
207.06247	1.0
208.03468	1.2
221.08212	1.7
222.05356	0.2
222.08461	1.8
223.06119	3.9
224.06491	2.2
235.02414	0.2
237.07692	1.1
238.07983	0.3
250.04857	0.8
251.05159	0.5
265.07242	3.7
266.07553	2.8
272.08868	0.4
295.10535	1.9
296.10556	1.3
298.04810	0.2
325.09119	0.3
326.09503	0.4
350.08429	0.3
368.09961	2.5
501.16144	1.5
502.13406	21.3
502.25629	5.4
503.13449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32123	0.2
55.95150	0.2
59.01379	0.6
61.98822	1.1
71.01347	0.3
72.99306	0.3
79.75157	0.2
87.43218	0.2
98.21758	0.3
100.61623	0.3
101.02444	0.5
107.05041	0.3
108.02145	0.6
114.53829	0.2
115.58856	0.2
115.99741	0.3
117.04288	0.3
119.05020	1.6
120.03756	0.3
120.04508	1.9
123.04467	0.6
130.08728	6.0
132.04539	0.5
133.02953	0.6
134.03712	1.4
134.06104	1.8
135.04521	0.3
144.04535	2.1
146.06136	0.3
147.03267	5.7
149.02406	0.3
152.01152	1.5
160.01906	0.3
160.04041	11.4
161.02429	1.7
162.05595	100.0
163.05962	1.8
167.03464	1.1
175.04019	0.5
176.03476	0.3
178.02682	0.5
179.02106	0.4
179.03534	0.4
188.03506	5.6
190.02773	0.3
193.05031	0.4
193.49646	0.3
205.04994	0.6
206.04585	52.4
207.04916	0.4
223.06084	0.5
367.10318	0.5
368.09921	2.8
439.15564	0.3
502.13544	17.3
502.25223	2.5
503.13947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42818	1.2
59.01381	7.5
61.98837	2.4
71.01394	9.1
73.02935	1.4
75.44626	1.1
77.31081	1.1
79.77026	1.3
85.02955	1.7
89.02448	2.4
96.96012	6.5
101.02428	3.0
108.99067	1.2
113.02409	2.0
119.03543	1.9
119.04946	1.5
128.46634	1.4
132.04559	12.1
134.06206	1.4
134.66449	1.3
144.04541	15.4
147.03291	4.8
160.04042	51.8
162.05617	100.0
178.05086	7.6
180.25343	1.2
183.33936	1.5
188.03532	62.7
206.02869	1.3
206.04619	36.1
229.14948	1.5
233.96512	1.6
248.05542	2.8
279.96982	9.1
502.08160	2.4
502.15723	76.3
503.15631	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	502.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93534	0.1
61.98839	100.0
62.04063	0.1
63.71394	0.1
69.79969	0.1
76.71667	0.1
83.54807	0.1
83.55316	0.1
122.72114	0.1
134.03734	0.5
135.04466	0.1
149.06136	0.3
175.48451	0.1
180.23244	0.1
289.11963	0.1
384.83112	0.1
439.18784	0.7
448.16821	0.1
502.28122	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	502.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82720	0.2
57.01426	0.2
61.98841	100.0
64.34546	0.2
92.65446	0.2
97.83889	0.2
152.97255	0.2
208.30063	0.2
228.16341	0.2
299.61926	0.2
409.91547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34281	0.1
59.01381	0.4
61.98832	100.0
64.34348	0.2
92.11734	0.4
96.66679	0.2
96.95982	1.5
98.95588	0.4
114.15343	0.2
134.03717	1.9
149.06110	1.1
210.86765	0.2
270.79489	0.2
270.88266	0.2
274.09738	0.2
276.73334	0.2
288.45786	0.2
289.12122	1.0
361.36374	0.3
439.18811	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	502.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15756	0.5
57.37378	0.5
58.62727	0.4
59.01375	0.5
61.98824	0.9
82.46388	0.5
91.00815	0.5
91.05553	2.2
91.47051	0.5
92.65021	0.5
99.92579	28.0
99.93237	0.9
100.93349	6.6
105.65945	0.5
115.92071	100.0
116.05061	2.3
116.92089	1.0
116.92847	12.9
117.03439	1.3
117.93722	0.7
118.06630	11.4
125.92882	1.1
126.93676	0.6
132.92337	0.6
163.03946	0.6
176.49974	0.6
176.60379	0.5
194.71230	0.5
214.12866	0.6
237.22261	0.8
246.97084	6.0
280.94397	0.6
281.24896	1.0
327.01608	0.6
350.21951	0.6
385.61148	0.5
410.16388	1.1
456.22113	3.9
472.21866	2.7
484.21582	3.6
502.22806	43.4
503.23047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
56.51850	0.2
58.00600	0.4
59.01390	8.8
61.74712	0.1
61.98843	9.8
64.34365	0.2
67.50526	0.2
68.56542	0.2
71.01391	4.4
72.99303	0.4
73.02956	0.3
83.01402	0.2
85.02952	1.4
89.02453	2.4
95.01383	0.4
101.02437	2.1
107.01405	0.3
113.02427	1.0
119.03481	0.2
119.05026	7.2
130.08734	100.0
131.09085	0.9
133.02953	1.3
134.03741	5.7
135.04535	5.8
137.02448	0.2
144.04565	0.2
145.02951	1.7
147.04523	0.3
148.05328	0.4
149.06076	3.8
150.06476	0.2
151.00357	0.3
152.00662	0.2
160.01654	0.4
160.21104	0.2
161.02454	3.4
161.06108	1.1
162.05600	1.2
167.44640	0.2
175.04018	1.2
175.87135	0.2
178.05103	0.3
179.03510	2.5
188.03516	0.3
190.02586	0.2
204.06682	0.9
205.05020	0.2
223.06171	0.2
233.04559	0.4
247.10858	0.2
251.05510	0.4
265.83728	0.2
288.17358	0.2
290.18759	1.6
295.65280	0.2
301.07114	0.4
302.07413	1.4
304.16623	2.0
305.17389	1.1
314.58310	0.2
316.16687	1.1
320.19836	0.4
331.15424	0.8
346.17728	0.9
464.12686	0.9
466.23511	17.5
467.23871	1.5
484.25528	0.3
502.26636	55.3
503.12048	0.9
503.26874	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	503.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.9
59.44194	0.7
61.98818	0.9
71.01387	6.9
71.58068	0.7
75.00865	0.8
78.72842	0.9
85.02927	1.9
87.00867	1.3
89.02428	4.4
93.03455	1.4
95.04985	1.5
96.95980	3.9
101.02431	5.2
105.03461	7.3
109.02947	3.6
113.02453	1.8
121.02972	1.1
121.05061	1.6
123.04506	0.9
132.02168	15.1
133.02948	100.0
134.03728	1.5
135.04520	32.5
137.02469	3.3
139.04054	0.9
149.02429	1.8
149.06076	3.3
150.03163	1.2
160.04050	1.9
161.02455	51.1
162.05609	1.6
175.03966	1.1
176.01155	1.3
177.01947	9.6
177.05585	11.0
179.03517	30.3
206.04678	1.2
221.04584	11.5
221.06508	1.3
245.68179	1.0
251.05666	7.3
281.06662	15.0
323.07559	1.8
341.08798	13.4
383.10190	1.3
443.12048	44.6
503.13934	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	503.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.9
59.44194	0.7
61.98818	0.9
71.01387	6.9
71.58068	0.7
75.00865	0.8
78.72842	0.9
85.02927	1.9
87.00867	1.3
89.02428	4.4
93.03455	1.4
95.04985	1.5
96.95980	3.9
101.02431	5.2
105.03461	7.3
109.02947	3.6
113.02453	1.8
121.02972	1.1
121.05061	1.6
123.04506	0.9
132.02168	15.1
133.02948	100.0
134.03728	1.5
135.04520	32.5
137.02469	3.3
139.04054	0.9
149.02429	1.8
149.06076	3.3
150.03163	1.2
160.04050	1.9
161.02455	51.1
162.05609	1.6
175.03966	1.1
176.01155	1.3
177.01947	9.6
177.05585	11.0
179.03517	30.3
206.04678	1.2
221.04584	11.5
221.06508	1.3
245.68179	1.0
251.05666	7.3
281.06662	15.0
323.07559	1.8
341.08798	13.4
383.10190	1.3
443.12048	44.6
503.13934	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	503.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66990	0.2
59.01384	3.6
61.98834	100.0
70.51073	0.3
71.01387	1.7
73.02973	0.4
85.02962	0.6
89.02412	2.3
90.63454	0.3
101.02453	1.7
108.02192	0.6
113.02486	0.7
120.04558	0.3
123.04552	0.5
132.04599	0.6
133.02933	2.7
134.03745	0.7
135.04538	6.1
137.02539	0.3
144.04607	1.6
145.02983	0.6
149.02524	0.7
149.06059	0.6
152.01201	0.4
160.04033	3.5
161.02434	7.4
161.04526	0.6
162.05605	5.4
162.06721	0.3
177.05583	2.4
178.05101	0.4
179.03522	4.5
188.03543	8.7
205.05141	0.4
206.04698	1.5
221.04660	2.0
223.06218	0.6
237.05705	1.3
251.05760	0.6
263.03641	0.6
267.06631	0.5
281.06851	1.5
281.14050	0.7
293.04602	0.6
341.09109	4.0
383.07843	0.5
385.09451	0.5
411.07480	1.8
411.12958	0.5
422.16733	0.3
440.15662	10.0
440.21237	0.5
503.12054	7.6
503.30499	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	503.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	7.6
59.01388	26.6
61.98848	12.5
67.01881	1.7
71.01388	27.3
71.05020	3.1
72.99313	7.8
75.00872	18.5
78.46473	1.3
85.02960	38.1
87.00874	20.8
87.10707	1.4
89.02441	9.1
91.05520	20.1
92.65234	1.5
95.01379	6.6
99.00878	14.0
111.00150	3.0
111.00881	63.5
111.01658	2.2
113.02454	43.8
117.01936	2.3
117.03441	17.0
121.02984	1.8
129.02000	1.9
131.03462	1.8
135.04520	9.2
140.58011	1.6
159.74313	1.6
168.88326	1.5
171.10258	1.5
173.00917	3.4
207.05214	1.7
249.06149	21.4
267.07217	81.9
370.03564	1.6
377.36115	1.7
385.11423	100.0
402.56680	1.6
412.24631	1.7
443.19806	1.7
503.15524	10.2
503.25021	3.5
522.65149	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	503.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.8
59.01387	16.3
61.98833	18.9
71.01382	9.1
73.02935	2.3
81.03452	1.3
83.01382	1.0
83.05009	2.9
85.02949	6.1
87.00841	0.8
89.02428	7.9
91.01898	0.9
92.12499	1.1
93.03416	2.6
95.01388	0.9
96.95975	1.3
99.00883	0.8
101.02444	6.3
113.02437	3.9
116.92847	7.3
119.01376	4.0
119.03488	2.5
119.05016	5.3
121.02926	4.0
126.09155	0.6
133.02901	0.6
134.03711	1.3
135.04504	2.2
135.06607	3.9
137.02441	0.8
147.00902	3.9
147.04559	0.9
149.02444	22.5
152.01135	2.4
160.04141	0.8
162.05638	0.9
163.04031	2.8
164.04807	23.4
165.01932	1.2
167.03378	0.7
175.00366	38.7
179.07213	1.2
189.01941	0.8
190.02725	100.0
191.03386	2.7
192.83572	0.6
205.05075	80.0
206.05724	3.1
208.03790	2.5
209.04604	1.3
221.08289	1.0
223.01303	0.6
223.06126	28.7
235.05431	0.6
237.07837	1.0
250.04768	1.0
265.07217	6.0
281.14066	0.8
299.80200	0.6
323.09821	0.8
325.09387	0.9
340.25839	0.9
385.11099	0.7
440.15656	1.0
449.31305	5.8
467.32339	11.2
503.17798	79.3
503.29205	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.1
59.01375	1.2
60.59219	0.2
61.98825	1.8
67.01880	2.7
73.44492	0.2
85.02939	1.1
87.00864	10.2
88.98769	0.3
104.85947	0.2
111.00871	100.0
113.94968	0.3
139.11346	0.3
143.04597	0.4
160.15965	0.3
173.00894	8.1
177.03423	1.2
177.43716	0.3
188.32625	0.3
291.45236	0.3
329.23315	1.1
503.25085	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55854	0.4
52.96005	0.5
57.03448	3.2
59.01370	1.0
61.98832	2.7
67.01884	2.6
74.02461	0.6
85.02940	1.2
87.00869	9.7
87.68687	0.5
92.27935	0.5
101.41803	0.6
109.64857	0.5
111.00871	100.0
112.01225	0.7
112.98589	0.5
117.84088	0.6
118.52754	0.7
173.00877	7.7
173.01964	0.5
503.25095	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	503.317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82618	0.4
55.08422	0.5
59.01367	2.7
61.98822	2.0
69.83916	0.5
72.24810	0.5
107.04288	0.9
107.05016	24.2
116.92846	0.8
128.57281	0.5
152.14871	0.5
163.11279	100.0
238.10280	0.6
265.16043	1.3
268.12048	0.6
283.17050	21.4
295.17081	10.3
366.57590	0.6
427.98526	0.6
441.28012	56.4
450.96350	0.6
459.29092	23.7
503.31720	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72339	1.0
54.33518	1.0
58.00598	1.5
59.01154	1.2
59.01385	22.7
60.04138	1.1
61.98819	2.5
67.98869	1.1
71.01376	14.5
73.02936	5.3
75.00865	1.8
85.02946	5.1
89.02433	3.1
101.02417	5.5
109.49657	1.3
113.02431	10.3
195.47838	1.3
223.12959	1.4
230.04871	1.3
240.17097	1.4
265.25320	3.2
281.24866	100.0
293.24863	1.7
295.26422	76.8
305.25034	5.5
323.25964	19.4
335.25760	2.3
353.26782	1.7
386.88724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96656	0.6
56.08305	0.6
56.97183	0.5
58.00561	0.6
59.01383	96.3
61.98801	0.7
67.21823	0.6
67.69401	0.6
71.01385	4.9
73.02923	1.5
74.67397	0.6
75.00850	1.0
79.72643	0.7
84.95133	0.8
85.02934	1.5
89.02425	1.5
101.02441	1.5
113.02442	4.8
116.92844	0.9
161.04591	0.9
251.20166	22.0
281.24857	100.0
282.25299	0.9
293.24908	0.8
295.26392	24.6
295.29742	1.1
305.24857	1.0
323.25940	6.8
353.27090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71135	0.2
57.16570	0.2
59.01374	0.4
59.42760	0.1
61.98819	1.1
65.03639	0.3
65.03963	4.2
67.01886	2.2
67.93027	0.2
71.01377	0.2
77.92346	0.2
90.28468	0.2
91.01869	1.1
92.12170	1.7
94.99880	0.2
101.02457	0.3
109.02944	36.0
130.08731	1.0
132.04546	1.1
135.00874	14.0
135.04512	0.2
144.04521	1.4
146.06071	0.5
153.01930	100.0
154.02299	0.4
159.03217	0.3
160.04007	3.3
161.02443	0.3
161.04539	0.2
162.05589	7.5
162.93471	0.2
163.06009	1.6
164.06105	0.3
167.03493	0.2
172.03976	0.2
175.04012	0.2
188.03539	2.4
190.05141	0.4
206.04543	2.0
207.04929	0.8
208.05194	0.2
313.09143	0.2
503.26733	0.3
504.12332	1.2
504.28259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92231	0.2
56.30202	0.2
58.02987	0.2
59.01363	0.9
61.98841	2.4
63.42170	0.2
65.03964	4.2
66.19682	0.2
67.01900	1.7
71.01365	0.3
73.49782	0.2
91.01882	1.4
92.65588	0.3
96.95986	1.3
99.05661	0.3
108.02174	0.3
109.02944	34.5
116.05001	0.3
119.04969	0.3
121.02953	0.4
128.03534	0.4
130.08717	2.9
131.08992	0.2
132.04549	1.2
134.03725	0.4
135.00873	12.8
135.04536	0.9
139.00380	0.5
143.04616	1.2
144.04564	1.6
145.02979	0.2
146.06123	1.3
147.03281	0.4
152.01112	0.5
153.01930	100.0
154.02678	0.2
160.04044	3.6
161.02463	0.8
161.04808	0.4
162.05586	6.1
163.03989	0.3
167.03474	0.4
169.04948	0.2
178.05038	0.3
182.02219	0.2
188.03516	2.9
190.05115	1.1
206.04602	1.1
210.08760	0.3
223.84268	0.2
230.04462	0.2
239.05562	0.5
272.08896	0.3
294.66095	0.2
306.07660	1.7
334.09216	0.3
466.23865	0.4
504.11218	1.5
504.28207	1.2
510.10080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85780	0.5
59.01381	4.4
59.85076	0.8
61.13794	0.6
61.98831	6.9
65.03973	5.8
67.01894	1.2
67.06831	0.6
71.01380	1.6
85.02969	0.7
89.02440	0.9
91.01875	0.8
93.03410	0.9
96.95966	0.8
108.02090	0.8
109.02949	63.5
113.02409	0.8
116.05054	1.2
118.02996	16.7
119.05013	14.8
120.05384	1.6
123.00848	1.2
124.01654	3.6
125.02444	7.0
128.03557	1.4
130.08730	21.4
131.09090	5.5
133.02930	4.0
134.03755	10.8
135.00868	10.6
135.04549	12.5
136.04817	1.2
137.02437	0.9
143.04631	1.4
144.04543	4.4
145.02974	3.0
146.02483	40.9
146.03648	1.4
146.06142	5.1
148.05345	1.1
149.06094	7.2
149.99602	5.4
150.06369	0.9
151.08482	0.8
153.01938	100.0
160.04028	1.4
161.02443	8.1
161.06070	1.0
162.02835	1.2
162.05606	5.6
166.05103	0.8
167.03514	1.1
168.00647	10.9
172.76933	0.8
175.04027	1.7
179.03484	4.6
188.03575	3.0
190.05119	1.8
204.06660	1.4
206.04671	1.7
251.05711	1.1
252.83551	0.7
272.08801	1.0
290.18747	1.7
304.16791	3.5
305.17410	3.5
306.07614	3.0
316.16641	1.2
320.20016	1.3
331.15427	0.9
346.17609	1.1
357.08554	3.0
466.23511	33.6
467.23895	5.7
468.15005	1.1
468.24115	6.2
503.27051	11.2
504.11594	28.3
504.27032	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	504.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40683	0.3
59.01365	0.5
61.98833	100.0
73.02980	0.3
116.92857	0.5
142.38820	0.3
197.15369	0.3
200.31017	0.4
218.35014	0.3
271.53421	0.3
279.23392	0.5
280.23752	0.6
287.32172	0.3
289.84735	0.3
336.26486	0.4
342.36832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83877	0.2
59.01378	0.4
61.98834	100.0
72.79243	0.2
73.13252	0.2
75.89488	0.2
82.95410	0.4
107.56879	0.3
116.92876	0.3
279.23593	0.4
281.24133	0.3
287.85321	0.3
358.54520	0.3
398.03937	0.3
459.13962	0.3
485.75760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.2
61.98838	100.0
71.01401	0.6
73.02958	0.5
85.02959	0.3
101.02438	2.0
113.02518	0.2
120.15107	0.2
136.89198	1.8
161.98943	0.2
163.06119	1.8
164.06557	0.2
172.98836	0.2
181.07170	0.5
257.95624	0.3
279.23303	35.2
280.23648	38.6
281.24066	0.3
336.26099	0.4
368.20789	0.2
385.85745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90159	0.7
51.40122	0.7
64.34575	0.8
77.39529	0.9
77.90008	0.8
78.95899	24.3
85.05511	0.8
152.99580	1.3
163.46825	1.0
167.15845	0.9
168.04279	4.0
224.06937	7.2
250.36571	1.1
279.23294	100.0
280.23715	1.0
327.82275	1.0
482.94440	1.2
504.30994	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84461	0.4
58.08440	0.5
58.48455	0.4
59.01120	0.7
59.01389	13.8
70.46473	0.4
71.01388	12.0
73.02924	0.7
77.36035	0.5
80.02693	0.6
82.95416	0.6
85.02948	2.2
87.29751	0.5
89.02437	15.4
93.03426	0.7
101.02439	3.1
105.03469	0.5
108.02172	41.4
113.02415	0.7
123.04507	20.7
123.05396	0.8
130.42899	0.4
130.49216	0.5
131.03517	1.9
132.02155	11.0
133.02934	3.9
134.03745	14.9
135.04524	3.7
137.02475	0.7
144.04366	0.5
146.06067	0.7
149.04561	1.1
149.06073	2.8
152.01157	94.6
160.01657	61.0
161.02457	9.5
162.05638	0.9
166.02727	2.5
167.03491	100.0
168.14922	0.5
175.04002	49.5
176.04713	0.6
179.03491	1.2
181.05081	1.1
189.05751	0.5
193.05096	8.9
193.12357	0.6
217.05061	0.5
307.53021	0.6
323.07819	9.9
337.09335	46.2
343.17670	12.1
343.21555	1.0
385.18750	4.3
465.59698	0.6
505.13519	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	505.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36606	1.0
57.03457	1.4
59.01379	12.3
59.29971	1.0
61.98819	6.3
66.45122	1.0
71.01386	9.6
85.02950	2.2
86.81285	1.2
89.02421	7.4
93.03440	6.3
96.96010	1.4
101.02425	2.0
108.02153	5.6
109.02909	4.8
113.02448	2.6
118.23033	1.3
119.05008	1.5
121.02904	2.4
123.04512	8.4
130.08705	1.4
132.02112	1.8
133.02937	17.9
134.03719	25.4
135.04510	43.0
137.02420	9.8
139.03940	1.6
146.06093	1.7
149.02458	4.7
149.06081	8.1
151.00330	1.3
152.01132	7.6
153.01891	1.8
161.02440	80.3
162.05551	2.0
164.04770	1.4
167.03467	10.5
175.03989	2.3
177.01906	1.6
178.02722	18.9
179.03510	16.7
181.96730	1.4
190.02708	1.4
193.05078	27.8
223.06056	1.8
252.06369	1.7
253.07198	100.0
254.07622	1.3
293.04614	1.8
297.06323	4.3
311.07706	5.9
343.17606	4.6
359.10638	1.4
413.08749	2.1
425.17279	1.7
469.31119	1.3
505.13821	24.9
505.26099	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	505.1571
Annotation	CHEBI:69792
Peak:m/z	Relative Intensity
59.01389	11.0
61.98826	2.7
69.65437	0.5
71.01110	0.4
71.01393	6.5
73.02930	0.6
73.05241	0.5
85.02936	0.9
88.98811	0.6
89.02440	7.8
96.96014	5.2
101.02428	5.3
104.80582	0.6
104.82755	0.6
113.02451	2.7
117.03428	0.8
119.03500	1.9
124.36185	0.6
125.02419	0.6
130.06656	1.0
132.02197	0.8
133.02950	32.1
134.02498	13.6
134.03571	1.0
135.02890	3.8
135.04520	16.5
149.06082	0.7
161.02448	100.0
177.05605	1.1
179.03506	11.6
179.05740	0.5
181.07156	0.9
221.04613	2.2
251.05580	0.7
273.14487	0.6
281.06656	2.3
339.91895	0.5
415.61588	0.5
462.62775	0.7
469.16129	0.7
503.05109	0.6
505.15652	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	505.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36512	0.2
57.03442	0.5
59.01375	1.5
69.23153	0.2
71.01379	4.4
71.05015	1.0
72.61219	0.2
72.99310	0.4
73.02945	44.2
75.00849	0.3
80.36493	0.2
81.03455	3.4
83.01393	3.4
83.05014	1.5
84.02155	0.2
85.68403	0.2
87.00856	0.4
87.04507	1.0
89.02437	0.5
99.00927	0.2
99.04517	10.0
101.02442	1.7
109.02939	0.6
117.05555	0.5
119.03489	1.3
120.76472	0.2
133.01433	0.4
139.31932	0.2
143.03494	1.2
145.05063	21.1
161.04532	0.4
163.06117	100.0
164.06386	0.3
179.05608	0.4
190.65524	0.2
236.45186	0.3
288.31052	0.3
358.81650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25661	0.7
52.50557	0.8
55.01879	1.9
57.03442	1.5
58.00593	0.9
59.01384	100.0
61.98832	20.5
71.01377	89.6
72.99306	1.4
73.02946	20.5
83.01391	6.0
85.02946	21.7
87.00875	10.0
89.02437	91.7
92.12402	3.1
93.03394	1.0
95.01369	5.0
96.96001	4.0
97.02940	1.6
99.00880	9.2
99.08147	9.6
101.02432	70.5
113.02447	40.8
113.03246	1.3
116.92846	2.2
118.92636	1.4
119.03491	31.8
121.02942	70.8
122.03254	1.1
125.02438	2.1
128.76157	0.9
129.01964	1.2
131.03479	11.2
134.56934	1.0
135.04520	3.9
143.03523	8.2
145.08717	22.2
146.32611	1.0
149.01213	8.6
149.04536	4.0
150.01572	3.5
157.89037	0.9
159.02991	1.3
161.02489	1.9
161.04552	25.8
164.03560	4.1
165.03844	2.2
175.04097	1.3
179.05618	60.6
221.06709	21.5
322.98566	1.5
323.09741	9.0
445.17438	37.3
459.15228	2.3
469.19302	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34654	0.9
53.28534	1.0
54.59299	1.0
55.01875	1.7
57.03439	6.2
59.01112	1.6
59.01384	40.4
59.22683	1.0
61.98809	6.3
63.18159	0.9
71.00991	1.6
71.01379	30.6
73.02934	1.0
82.75230	1.0
83.01371	1.6
84.02148	1.1
85.02947	51.0
89.02435	31.3
92.11761	2.4
98.62154	1.4
100.85788	1.1
101.02428	13.5
113.02441	37.3
119.03479	5.2
131.03470	8.5
134.03775	4.2
137.02393	5.2
149.02431	1.5
179.07103	1.5
193.12355	2.5
343.21591	1.4
469.19580	4.9
505.22934	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	505.2578
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.07325	0.4
51.84312	0.5
55.41414	0.5
59.01383	1.2
67.10122	0.5
68.10616	0.6
69.58615	0.7
78.95486	0.6
78.95905	12.6
101.93951	0.5
120.19827	0.7
127.07596	0.7
152.99582	19.2
162.35242	0.7
171.00642	2.6
227.03268	2.5
245.04224	0.9
277.21741	100.0
278.22168	2.6
305.11722	0.7
505.25775	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57059	0.4
58.02983	11.9
59.01385	1.2
61.98843	5.5
74.02477	27.2
87.05602	2.2
90.00172	1.0
90.97114	2.3
97.04073	0.9
99.05634	19.7
113.09727	0.7
118.96615	6.1
125.98065	0.5
131.04602	6.1
133.02943	0.6
143.04616	68.6
160.00763	0.7
177.03383	100.0
190.98726	1.0
193.42368	0.5
201.11288	4.0
213.11411	3.4
239.05971	0.6
247.44212	0.5
281.07126	0.5
301.09732	1.1
319.27499	0.5
327.21753	19.2
385.11707	2.5
419.24319	0.6
445.13840	7.9
505.26682	0.8
526.35126	0.5
534.19116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2814
Annotation	Mucronine A
Peak:m/z	Relative Intensity
52.73252	0.4
59.01395	4.4
59.97389	0.5
60.41912	0.6
61.16335	0.5
61.98814	3.1
65.76372	0.5
66.87896	0.6
72.72033	0.5
74.19558	0.5
86.19633	0.5
89.03973	0.8
96.29481	0.5
105.03465	0.9
117.03456	4.2
119.05005	3.7
125.49612	0.6
132.02159	15.8
133.02971	11.9
134.03735	64.8
135.04518	3.9
136.01672	2.4
137.02464	4.2
139.04013	0.6
140.46449	0.5
147.04536	6.5
147.52553	0.6
149.04976	0.9
149.06073	8.5
153.05550	2.8
160.01659	73.7
161.02451	11.6
171.10274	3.0
175.03999	100.0
178.02740	6.3
179.03494	1.0
183.13960	0.7
192.04234	1.0
193.05055	29.4
211.13379	7.0
229.14423	4.8
269.38196	0.7
293.21191	2.5
311.22137	4.0
329.23361	15.7
465.33591	0.7
505.28131	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60965	0.4
56.52262	0.4
57.21965	0.4
58.82782	0.4
59.01398	1.6
61.98835	100.0
71.39449	0.4
78.64563	0.4
116.92844	0.5
128.21001	0.5
133.82657	0.5
145.77293	0.4
157.38368	0.5
163.03926	0.6
180.06763	2.0
255.23355	0.6
281.24811	4.1
282.78229	0.5
399.30603	0.5
400.40634	0.5
423.33826	0.4
442.29877	3.0
518.34058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11333	0.4
55.01880	2.3
55.22715	0.4
55.37452	0.4
57.03441	3.1
59.01385	6.9
61.98832	1.8
62.97154	0.4
68.99799	1.0
69.03439	0.8
71.01379	12.5
72.99290	4.4
73.02938	0.8
73.74393	0.5
75.00864	23.9
76.01619	0.4
76.21342	0.4
78.95891	1.9
83.01390	4.6
85.02940	14.3
87.00877	4.5
89.02435	2.5
91.03985	2.4
95.01384	8.1
99.00869	26.0
101.02431	0.5
103.00388	0.6
108.48431	0.4
110.98535	0.8
111.00872	8.2
112.01655	0.9
113.02442	19.3
121.02860	0.6
131.03430	0.6
139.00357	3.0
156.74446	0.5
157.01437	1.9
164.23943	0.5
205.07173	2.1
207.04982	0.5
215.00587	0.5
215.81131	0.5
231.05197	1.7
249.06105	5.7
255.23305	100.0
256.23648	2.3
267.07211	7.6
269.24969	1.8
344.78503	0.5
423.24884	4.2
505.30212	59.0
506.30585	0.9
514.92944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80502	0.3
55.01878	2.3
57.03453	3.8
59.01390	10.2
67.01899	0.7
68.99812	1.0
69.03455	4.1
71.01383	20.8
72.99306	2.1
73.02944	2.0
75.00868	12.2
78.95932	0.4
83.01392	4.4
85.02953	21.3
87.00887	5.5
89.02453	4.1
91.03997	1.8
95.01377	7.2
99.00880	16.1
103.00388	0.8
103.70904	0.4
110.98592	0.4
111.00851	3.2
112.01648	0.5
113.02447	22.8
114.38229	0.5
129.01891	0.6
131.03531	2.4
139.00363	0.9
156.29056	0.4
157.01431	1.9
205.07108	1.7
223.08130	0.5
249.03711	0.7
249.06195	15.7
255.23322	100.0
256.23709	2.0
267.07211	3.2
269.24930	0.6
273.77502	0.6
359.09479	0.4
423.25366	2.3
505.30270	79.1
506.30371	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14400	0.6
50.82741	0.5
57.03454	3.1
59.01394	14.9
61.98545	0.7
61.98838	13.2
69.58127	0.6
71.01390	13.7
72.99310	5.6
75.00520	0.7
75.00883	13.5
78.95878	0.8
81.30313	0.6
85.02950	16.3
87.00880	7.0
88.05009	0.6
89.02430	4.2
93.09259	0.7
93.79773	0.7
95.01403	6.4
99.00877	8.2
100.13662	0.6
103.00368	0.8
113.02459	15.0
115.00384	0.7
116.92878	1.0
117.01920	3.5
117.21947	0.6
121.02921	2.9
134.89383	1.0
149.06050	0.8
151.84314	0.8
153.03029	1.4
155.84303	0.7
175.02435	1.1
202.51770	0.7
205.07230	0.9
231.04964	0.7
249.06151	10.5
255.23306	100.0
256.23679	1.2
267.07245	1.2
487.28860	1.1
505.30219	80.0
506.30612	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58668	0.8
58.65791	0.9
59.01384	1.9
61.98822	1.3
78.95888	6.8
108.72520	1.1
110.98518	4.6
111.44445	0.9
122.86288	0.9
161.47040	1.0
167.01097	3.7
185.02171	1.5
255.23302	100.0
256.23621	1.7
279.23282	1.4
423.25284	26.1
503.44876	1.2
505.30945	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	505.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82487	0.8
59.01388	5.5
61.98825	3.5
71.01389	1.0
83.68741	0.7
85.02950	0.8
89.96686	0.7
101.02449	3.6
113.46293	0.8
116.92829	1.0
163.06119	3.2
170.93172	0.9
255.23260	1.2
258.53058	0.7
279.23300	2.9
281.24866	100.0
282.25192	1.8
319.56738	0.7
470.57065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22415	0.4
59.01362	1.8
62.90302	0.4
63.08505	0.4
71.01382	2.3
89.02444	2.0
96.95990	0.9
101.02436	0.9
103.72219	0.4
113.02436	1.2
122.02473	100.0
130.06680	0.6
136.04021	6.5
164.03532	1.0
165.79837	0.6
299.13873	0.6
321.38513	0.5
323.09796	0.6
446.13028	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	506.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04896	0.6
57.03106	0.5
57.03424	0.7
59.01386	44.6
71.01387	28.0
72.00908	16.8
72.99288	1.2
73.02945	1.2
74.54158	0.5
83.01420	1.0
85.02935	2.9
85.23233	0.6
89.01881	1.4
89.02439	44.6
91.05557	1.0
95.01367	0.9
96.96018	0.9
101.02435	15.8
113.02452	13.5
116.92889	1.5
119.03477	13.8
122.02471	4.7
131.03450	0.8
136.04028	0.8
143.03517	1.6
147.03346	1.2
147.04527	59.8
161.04576	3.8
164.07175	100.0
179.05595	13.5
233.16228	0.7
341.10916	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01102	0.1
53.80275	0.1
59.01378	0.2
61.98833	100.0
62.98550	0.2
63.99249	0.2
72.68892	0.2
78.95905	0.6
81.80873	0.2
96.96008	1.0
110.98544	0.2
114.93408	0.2
116.92862	0.8
122.53439	0.2
140.26239	0.2
162.90833	0.1
167.01146	0.2
173.65894	0.2
182.92200	0.2
207.78047	0.2
279.23328	0.4
280.23773	1.0
281.24866	7.8
449.26816	1.6
506.81625	0.2
507.22379	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51673	0.1
71.01394	0.2
78.95900	5.2
79.95733	1.4
80.99385	0.1
82.95410	0.3
96.96004	100.0
96.96896	7.3
114.39327	0.1
119.05037	0.9
144.04549	0.3
156.03175	0.1
216.66791	0.1
230.99860	0.3
233.01242	0.2
248.65553	0.2
252.08614	0.1
259.82623	0.2
278.01297	0.2
288.01990	0.2
302.03561	0.2
373.03769	0.2
431.09384	0.3
433.10776	0.3
447.13260	0.4
451.11813	0.2
463.08389	0.9
465.10297	0.2
492.12210	2.5
507.14490	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	507.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49556	0.2
53.36318	0.2
57.59029	0.3
59.01361	0.3
60.00609	0.3
65.41363	0.2
69.20853	0.2
78.95906	8.5
96.96962	1.2
106.97561	0.3
115.16855	0.3
152.99590	12.6
153.99786	0.3
165.11966	0.3
165.91557	0.3
169.08609	0.3
171.00635	1.1
202.47961	0.3
227.03336	1.4
245.04375	1.1
261.22485	0.4
279.23303	100.0
316.35324	0.3
492.34265	0.3
507.27325	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22267	0.8
57.23900	0.8
59.01373	2.3
69.42163	0.9
74.28638	0.9
87.86240	1.2
93.75565	1.0
125.75842	0.9
179.03574	1.1
181.57576	1.0
220.92427	1.2
261.19202	1.0
279.26877	2.0
281.25452	1.2
281.28479	45.7
327.29059	100.0
328.29645	1.2
339.32382	1.1
366.21912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	0.2
59.01374	0.7
61.98832	0.2
63.79644	0.1
66.34015	0.2
72.00892	0.2
75.02594	0.1
78.91875	0.2
80.29057	0.1
80.91673	0.8
83.05009	0.8
85.69473	0.1
90.07540	0.1
91.05520	0.2
107.45652	0.1
124.13465	0.2
129.44728	0.2
147.04544	1.6
164.07158	3.7
211.57301	0.2
235.20683	1.0
253.21736	100.0
254.22087	0.8
279.23465	0.2
354.18362	0.2
426.30148	5.3
490.00156	0.2
508.71649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15398	0.4
58.02976	0.5
59.01384	4.9
60.95367	0.5
61.98797	0.6
65.16904	0.4
69.76155	0.5
70.69415	0.4
71.01371	4.4
76.02773	0.5
77.16396	0.5
79.51988	0.5
85.02926	1.9
89.02431	2.9
92.05035	0.8
96.95971	1.0
101.02428	3.4
104.05025	0.6
113.02444	1.0
116.92853	0.6
119.03486	0.9
119.05032	0.7
120.04577	0.8
121.05044	2.9
128.03569	2.0
132.04541	11.2
140.10181	0.5
144.04556	17.5
145.48595	0.5
147.03271	0.9
147.05699	0.7
148.04028	0.7
160.04030	49.4
161.04538	0.5
162.05600	83.1
175.08891	0.5
175.15015	0.6
177.10422	0.7
178.05106	9.1
186.05554	0.7
188.03523	94.1
189.03969	0.8
206.04594	32.3
207.04958	0.6
220.98058	0.6
238.71584	0.7
248.05615	2.3
251.31746	0.6
276.09830	4.6
343.00571	0.5
352.56613	0.6
377.14899	0.7
405.14139	12.3
472.14627	100.0
473.14859	1.1
505.43250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06432	0.3
59.01393	4.6
61.98837	49.1
63.18968	0.3
64.34381	0.3
66.27906	0.3
70.71887	0.4
70.72276	0.3
71.01384	2.7
73.02957	0.5
77.59029	0.4
85.02948	1.4
89.02428	2.6
96.95976	2.7
99.00888	0.5
101.02425	2.7
101.45551	0.4
113.02443	1.4
119.03492	0.5
120.99650	10.8
121.05069	0.9
131.03690	0.4
132.02148	0.4
133.01967	0.8
133.02946	20.7
134.03758	0.4
135.04529	9.8
139.20946	0.4
148.04056	0.8
157.84808	0.4
160.04025	3.4
161.02448	100.0
162.02795	1.7
162.05627	2.6
169.08945	0.4
177.05624	0.3
178.92839	0.4
179.03487	6.2
206.04597	1.4
210.26080	0.4
230.99825	0.4
445.13599	59.0
446.13983	1.5
454.13495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17067	0.5
55.01868	0.5
61.63951	0.5
61.83012	0.5
61.98835	5.1
71.01366	0.7
72.99316	3.8
77.57385	0.5
78.95882	3.2
84.93886	0.8
98.02441	2.4
98.95515	0.7
99.00891	6.4
99.92585	74.4
100.93356	4.6
110.98505	1.2
115.92074	46.3
116.92855	100.0
117.92863	0.7
124.97012	0.5
125.92838	2.4
138.94949	0.7
140.96475	2.3
157.91835	0.7
184.95488	2.2
188.94891	1.2
210.93311	0.6
216.94452	2.3
216.98570	0.6
224.02478	0.5
228.94348	0.5
281.24878	10.9
282.25189	15.9
306.24298	0.6
318.28033	0.8
402.21057	0.9
416.19049	1.1
446.20065	5.7
449.26700	0.9
450.27151	2.0
460.17667	2.3
478.18829	0.8
490.19009	13.2
504.17029	0.8
507.22226	0.8
508.20026	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45050	0.2
54.82692	0.3
56.38913	0.2
59.01382	1.1
65.03977	6.8
66.81371	0.2
67.01898	3.0
71.01389	0.3
73.81744	0.2
77.34836	0.2
80.86954	0.2
85.02924	0.3
91.01896	2.3
91.27651	0.2
96.95972	0.3
109.02953	42.7
127.98602	0.2
134.52647	0.2
135.00883	14.4
153.01941	100.0
160.01657	0.4
162.05701	0.3
174.75117	0.3
175.04005	0.9
245.25243	0.2
249.06227	0.2
426.33472	0.2
465.35809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82263	0.8
55.01884	1.1
59.01105	1.6
59.01382	31.0
61.82460	0.7
61.98847	0.9
66.93747	0.8
71.01381	27.5
72.99294	5.5
73.02957	7.3
82.95422	1.8
83.01391	1.8
84.95121	1.1
85.02937	7.3
87.00863	7.0
89.02438	20.4
95.01395	1.9
96.95999	32.7
96.96930	3.0
97.02954	1.1
97.95901	1.1
98.94968	2.2
98.95578	34.7
98.96395	3.8
99.00857	9.8
101.02435	21.7
104.29681	0.8
113.02441	11.0
119.03497	7.0
119.04971	1.8
125.02427	1.2
131.03493	7.7
134.03737	1.3
139.11284	8.0
143.03502	1.1
161.04556	10.8
167.10767	34.6
167.12105	1.6
179.05615	5.9
185.11823	22.4
189.85269	1.0
221.06697	8.9
328.68869	1.0
509.22397	100.0
510.22488	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	509.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34591	16.7
51.78945	20.4
57.90635	18.5
59.01383	24.4
61.98820	100.0
63.66203	18.1
72.81438	19.8
83.83471	21.8
92.11694	35.9
95.37829	20.9
116.72797	20.7
127.87880	22.4
130.32484	23.7
153.23213	22.6
273.25201	24.9
282.25607	31.0
315.98950	22.0
345.62173	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	509.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18253	2.0
54.29730	1.8
55.19370	2.0
61.98848	5.5
62.27375	1.9
70.45129	2.0
76.35992	2.1
78.95930	8.4
93.65047	2.1
99.92560	19.2
100.73108	2.0
100.92589	4.3
105.98666	2.3
110.98547	9.1
112.25979	2.1
114.38811	2.4
115.92116	11.5
116.92130	4.5
116.92870	22.1
117.92871	15.5
166.86992	2.1
196.89487	5.1
259.38977	2.4
273.55328	2.2
281.24869	100.0
282.25226	12.8
283.25467	3.7
449.26862	18.7
485.62793	2.8
509.21228	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	510.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81314	0.4
66.92500	0.5
70.02958	1.1
72.99299	1.1
76.83735	0.6
85.52367	0.5
98.94910	0.5
99.00881	13.3
99.92577	65.9
100.93358	7.4
115.92069	100.0
116.92853	19.4
125.92861	3.4
132.92305	0.7
146.92168	5.9
147.01205	1.1
155.95193	0.8
156.92320	0.7
169.93169	0.7
182.96376	0.5
187.92393	3.9
230.94203	3.6
234.93755	2.1
262.93320	0.7
295.80667	0.6
313.39642	0.6
332.26004	1.2
349.85501	0.5
384.83749	0.5
408.26239	0.8
416.19199	1.0
435.11877	0.7
445.19421	2.1
462.18030	0.8
464.19174	0.8
489.54669	0.6
492.18997	12.7
493.18240	0.6
506.16547	4.2
510.19910	42.8
511.20166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03021	0.2
61.98841	13.6
62.15282	0.2
78.95549	0.3
78.95905	4.0
81.02016	0.2
110.98536	3.8
148.44788	0.2
152.99574	0.3
157.86620	0.2
167.01137	1.7
185.02179	2.5
236.64259	0.2
261.22168	0.2
279.23288	100.0
280.23563	1.5
281.24933	0.9
282.25031	0.8
441.38293	0.2
447.25204	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	0.4
68.48095	0.2
73.02950	0.3
82.95422	0.2
94.92506	1.3
99.00884	0.3
99.92586	9.7
109.52712	0.2
115.92072	1.4
116.02522	0.4
116.92857	100.0
117.01952	1.1
117.92868	1.8
119.81152	0.2
130.08722	1.6
134.14616	0.2
275.87894	0.2
392.31891	0.9
492.24298	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	511.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95582	0.1
78.95898	21.7
79.95736	1.2
85.50858	0.1
89.48482	0.1
90.25969	0.1
91.70465	0.1
96.96005	100.0
96.96947	38.3
100.24795	0.1
112.16134	0.1
156.49025	0.1
511.14383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
64.34760	0.3
65.14197	0.2
71.01398	0.4
81.03389	0.3
83.05013	0.6
87.00851	0.3
88.45667	0.3
95.71931	0.3
119.05013	1.7
120.04510	1.8
132.04524	1.5
134.06140	1.3
144.04549	6.0
147.03273	3.9
148.04024	3.6
151.48074	0.3
160.04022	17.1
161.08214	0.6
162.05592	100.0
163.05984	0.4
174.05551	0.6
176.03596	0.5
178.05067	1.9
186.05690	2.3
188.03519	33.6
198.05482	0.4
202.04955	0.3
206.04591	57.9
230.04541	4.0
248.05649	15.6
278.06708	3.3
306.07843	1.2
308.07794	7.7
312.12637	0.4
315.81509	0.3
451.33020	1.5
452.32916	1.1
512.17761	46.0
513.17828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42938	0.4
58.28605	0.3
59.01382	2.6
61.34431	0.5
61.98826	1.7
71.34398	0.4
72.99292	0.7
75.00866	9.7
82.04939	0.4
93.03449	0.6
96.95996	2.3
117.03429	3.4
119.05017	100.0
121.02943	4.4
132.05811	0.5
144.04572	0.7
145.02954	16.1
146.02493	3.0
160.04085	0.7
162.05583	2.0
188.03526	0.7
196.96170	0.5
197.06114	5.3
206.04596	0.7
248.17796	0.5
273.15939	0.9
290.18756	22.7
316.16675	17.9
436.22470	58.1
437.22711	0.6
512.18103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12067	1.5
57.03449	2.4
59.01382	28.5
64.34377	1.6
68.50249	2.0
71.01375	29.7
72.99318	2.3
73.02959	2.5
75.00870	12.3
78.79614	1.7
85.02940	26.9
86.82442	1.7
87.00854	9.5
89.02432	10.2
89.23238	1.5
95.01328	2.2
96.95984	7.1
99.00854	9.8
101.02441	6.6
101.06068	40.2
105.50916	1.6
113.02442	23.0
117.01903	1.6
128.03531	1.7
143.04605	3.2
146.06120	6.4
162.05620	2.2
190.05162	2.1
223.62979	1.8
244.31129	1.7
293.12122	1.7
354.90735	2.0
513.10822	3.4
513.18298	100.0
514.16193	3.6
531.05847	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45111	1.0
54.23848	0.9
54.83012	1.0
57.03444	2.4
57.96555	0.9
59.01151	1.1
59.01389	22.3
61.98790	0.9
62.63166	0.9
71.01385	24.3
72.99293	5.9
73.02928	1.2
75.00869	12.5
81.16989	1.1
85.02950	24.5
87.00867	10.2
89.02460	12.6
95.01386	4.7
96.96006	5.5
99.00844	7.6
101.02435	5.5
101.05422	2.0
101.06070	52.1
111.00829	1.1
113.02432	26.1
115.00368	2.0
118.30820	1.1
129.01895	1.4
131.03455	1.1
133.03003	1.2
136.12961	0.9
146.06140	1.1
190.05142	1.5
205.07262	1.0
206.04640	1.6
429.12729	1.7
448.19531	1.1
456.06058	1.3
513.18256	100.0
514.18231	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	513.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98838	100.0
68.51060	0.2
71.01368	0.2
75.40345	0.2
78.95950	0.2
94.32261	0.2
96.96004	0.3
97.01102	0.2
101.02460	0.3
119.05054	1.1
121.02963	0.2
133.02977	1.9
143.04742	0.3
145.03017	1.3
146.06190	0.3
162.05695	0.9
178.94067	0.2
199.31648	0.2
200.69908	0.2
237.07726	0.5
275.00912	0.2
304.16891	0.3
450.20364	0.5
452.78720	0.3
455.64520	0.3
513.21692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89999	0.8
59.01391	10.5
59.84377	0.7
61.98546	0.9
61.98830	15.4
66.82828	0.8
68.44714	0.8
68.98685	0.8
117.03455	1.2
119.04988	3.8
120.04554	3.9
122.98534	1.1
133.02936	1.0
134.03723	4.8
134.06129	1.4
135.04614	1.1
144.04594	3.8
145.02946	15.3
146.06012	1.1
147.03302	7.4
147.04373	0.9
149.06001	1.1
160.04016	14.3
162.05600	100.0
163.03969	1.5
188.03485	6.9
190.02731	1.1
206.02626	2.0
206.04588	51.0
252.19643	1.0
307.08264	3.6
368.09836	5.0
369.05890	1.0
514.13452	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	514.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26049	0.4
58.17520	0.4
59.01388	0.9
61.98824	6.4
64.97732	0.4
99.66682	0.6
107.04978	0.6
117.03444	4.3
119.05006	3.7
120.04527	1.1
130.08699	0.7
134.03757	0.5
134.06126	2.3
135.04492	1.1
137.02550	0.5
144.04538	2.2
145.02962	15.1
147.03252	5.3
148.01630	1.0
150.03139	0.5
160.04022	11.8
161.02466	0.6
161.04654	0.7
162.05594	100.0
163.03964	3.5
163.05992	0.6
176.01064	0.8
176.03482	0.5
188.03568	7.1
191.03400	0.6
206.04593	48.8
209.04587	0.6
307.08215	4.9
309.06317	0.6
334.25500	0.5
368.09930	6.0
508.19479	0.6
513.15906	0.6
514.13409	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	514.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82566	6.9
57.03453	9.3
58.02977	9.0
59.01412	41.3
59.06432	4.7
71.01387	29.4
72.61110	5.2
74.02473	25.4
75.00867	12.2
82.75362	5.0
85.02962	44.8
86.02486	6.0
87.00858	13.3
87.05640	14.2
89.02438	24.6
92.07070	6.0
96.95988	11.9
97.79683	5.2
99.00900	11.2
99.05643	32.9
101.02412	10.4
101.06078	50.6
103.72617	5.7
113.02431	33.5
113.96703	7.1
116.05098	11.1
127.05070	5.6
128.03506	90.5
129.19623	5.2
135.05562	7.1
139.00397	7.4
143.04628	91.7
144.04535	30.4
146.06145	100.0
153.01942	30.9
161.84666	5.8
162.05577	54.9
167.04642	7.0
167.08307	6.0
168.04311	8.5
169.05074	8.8
172.04057	28.8
179.04559	13.1
190.05128	86.1
206.04608	9.4
210.08931	25.3
220.54207	5.8
254.07852	48.5
272.08847	61.5
300.45227	7.1
341.10934	6.4
513.18256	30.8
514.15979	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
59.01106	0.6
59.01382	9.8
61.98811	0.6
71.01036	0.5
71.01383	8.4
73.02937	0.4
73.62228	0.4
81.30081	0.4
81.86843	0.4
85.02940	2.0
87.00852	0.7
89.02438	10.4
96.95988	2.8
101.02431	4.3
108.79121	0.4
113.02455	3.5
116.05057	9.4
119.03468	2.3
120.13245	0.4
128.05048	4.0
131.03740	8.1
132.04572	2.8
133.02937	0.5
144.04541	34.7
146.06111	100.0
147.06464	0.7
158.06064	0.9
160.03986	0.7
161.04596	0.5
162.05605	10.5
170.06099	2.0
172.04028	17.9
179.05646	0.7
186.05586	0.5
190.05095	58.2
191.05367	0.5
206.04514	0.7
212.80989	0.4
214.05157	0.6
232.06087	2.5
248.05461	0.5
262.07220	2.1
292.08215	3.1
334.09073	0.7
341.11011	4.3
352.10440	0.7
514.15674	41.4
515.16248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03835	0.1
59.01386	0.9
60.27657	0.1
61.98834	100.0
84.86369	0.1
108.09640	0.1
164.09195	0.2
185.17590	0.1
257.04602	0.3
287.09332	0.2
452.33136	0.2
453.33792	0.8
454.33755	0.7
455.18439	0.3
468.33173	0.2
514.32898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1234
Annotation	Dexamethasone sodium phosphate
Peak:m/z	Relative Intensity
50.07397	0.2
50.92559	0.3
56.94132	0.3
57.17400	0.3
59.01384	1.9
59.75768	0.3
61.98837	0.6
70.41849	0.3
71.01376	0.4
74.02492	0.3
79.95739	23.1
80.96509	0.7
83.29694	0.3
85.96904	0.3
88.98790	0.4
95.95230	9.8
96.96007	100.0
108.02175	1.5
109.02988	0.4
110.97566	5.7
113.95722	0.3
123.04530	0.4
124.01650	0.4
125.02429	0.5
128.03514	0.7
136.99127	0.5
137.02438	0.7
137.07555	0.3
138.03227	0.3
143.04630	0.5
163.03987	0.4
166.02690	0.4
167.00206	2.8
167.03468	0.4
175.03987	0.4
177.01955	1.4
179.03503	0.3
181.05132	0.6
188.03560	0.3
191.03470	0.3
192.04182	0.5
207.06677	0.6
211.94847	1.2
216.45676	0.3
226.97227	0.6
227.03499	0.5
242.06113	0.5
256.09818	0.5
257.04684	0.7
257.08203	1.2
265.05127	1.5
266.05905	0.5
267.06686	0.5
272.08981	0.5
281.08273	2.6
282.05579	0.3
282.09042	0.6
283.06250	0.5
285.07797	0.7
289.03943	1.4
299.10388	0.7
313.11841	0.4
364.11734	0.4
375.11243	0.5
379.14212	2.3
394.16571	1.7
405.11938	0.5
407.12372	0.4
422.14844	2.2
429.08884	1.4
431.72293	0.4
437.17258	4.8
440.16156	1.6
455.12537	0.5
455.18362	12.4
457.08026	0.6
485.07663	4.5
500.09933	3.3
515.12360	58.8
516.12311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58247	0.4
59.01385	17.0
61.92472	0.4
61.98832	14.1
68.70985	0.5
71.01366	1.2
74.75448	0.5
81.05072	0.5
85.02951	0.9
93.03441	2.2
96.96009	1.3
108.02177	4.4
109.02964	1.3
121.02998	0.6
123.00820	0.6
123.04540	2.5
123.13286	0.6
132.02132	4.3
133.02948	0.9
134.03761	5.4
135.04509	5.3
136.01651	94.4
137.02492	0.6
144.04578	1.0
145.02969	0.9
146.03770	2.5
146.16423	0.5
147.04515	5.1
148.05319	6.4
149.02461	1.3
149.06065	4.0
150.03195	1.0
151.04005	100.0
152.04301	0.7
160.01686	1.1
160.04079	2.4
160.88289	0.5
161.02394	2.2
161.06133	0.7
162.05634	4.7
164.04825	1.9
173.02419	0.7
174.03230	2.2
174.05574	0.7
175.03973	2.0
176.01176	4.2
179.03506	3.5
188.03596	1.1
189.05510	4.4
191.03540	3.6
191.05630	5.0
206.04478	0.5
214.03839	0.8
214.08669	0.6
217.03673	0.9
218.97391	0.6
223.06166	0.9
229.05023	3.0
229.07321	0.6
242.08368	5.7
244.09830	1.3
244.12120	1.3
245.10519	2.7
245.12906	0.6
257.04587	3.3
257.08228	0.7
260.12906	1.0
261.12527	0.9
267.06628	2.8
269.09290	1.2
270.10101	39.1
271.10626	0.6
272.06885	3.1
282.08975	0.9
285.12454	30.1
287.09204	7.3
288.11157	13.9
297.11459	0.8
303.13480	12.6
309.11877	0.6
406.78223	0.6
413.10733	0.7
437.17145	5.0
453.70111	0.6
455.18289	51.4
456.18604	3.0
536.92004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50295	0.6
51.63135	0.6
53.42867	0.5
57.91027	0.6
59.01376	1.2
59.57394	0.5
61.98822	1.1
68.65112	0.5
71.82156	0.6
72.99303	4.9
75.00867	81.4
105.03463	0.9
107.04980	0.8
130.87370	0.6
132.02165	0.7
133.02950	12.4
134.03732	100.0
135.04526	31.9
136.01648	5.1
137.02455	0.9
147.04509	1.5
148.05322	3.3
149.02527	0.8
149.06076	55.4
150.03229	3.5
151.04048	6.4
160.01624	2.4
161.02493	1.5
161.06050	0.8
162.03261	0.6
165.05515	0.8
175.02664	1.3
175.04005	3.4
176.03568	1.5
186.09245	0.6
190.05110	3.9
195.07701	1.5
196.08492	1.1
201.11272	0.6
204.06699	4.5
227.03572	5.2
229.05081	2.3
230.08269	1.1
231.08977	1.2
232.09764	0.8
242.05960	4.9
246.11534	0.7
247.10924	11.0
248.11583	3.7
250.18700	0.7
257.08304	6.5
263.14066	1.4
266.06848	0.6
273.08780	5.7
274.09607	24.9
275.10278	2.6
289.11972	37.7
290.12427	0.8
305.03802	0.7
423.15457	4.2
437.17264	2.6
439.18777	72.7
440.18918	3.6
455.18225	5.5
515.10950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41124	0.3
53.13835	0.4
59.01108	0.8
59.01385	16.8
71.01380	1.8
83.01397	0.4
83.06173	0.6
85.02944	0.8
88.98748	0.5
89.02408	0.7
91.01887	0.4
96.96000	3.9
101.02401	0.9
106.70256	0.5
108.02172	3.7
109.02929	1.0
115.07626	0.9
120.91601	0.4
123.04536	2.9
128.03528	0.8
130.04208	0.9
143.04597	0.4
158.03767	3.7
159.04506	6.4
159.06584	1.5
161.04533	0.6
173.06091	4.6
182.45590	0.5
222.07001	0.6
224.04765	1.0
225.05530	0.4
227.09465	0.9
228.04266	0.6
237.05606	2.0
238.06357	9.7
239.07123	2.7
240.04276	0.6
248.04897	0.6
249.05501	3.0
250.06238	0.8
251.07085	0.9
252.07950	1.0
253.08734	0.8
255.08987	1.6
256.03802	1.0
256.09683	0.7
257.04495	6.6
265.05078	12.1
266.05814	9.8
267.06616	12.2
270.10287	2.2
271.06113	2.3
272.06927	0.6
280.07413	5.6
281.08191	22.3
282.08990	8.5
287.09283	1.9
293.04599	2.1
295.09711	5.5
298.09579	4.0
299.10358	2.5
313.12054	3.5
336.12402	0.5
364.12006	3.5
379.14285	16.5
389.11166	0.4
394.16599	17.4
404.13925	0.6
406.11575	0.8
407.12518	4.0
409.17609	2.7
419.16132	1.0
421.13947	0.7
422.14850	36.4
423.15302	0.5
437.17200	100.0
438.17581	2.2
455.18039	25.8
515.17438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75725	1.2
57.03427	1.9
57.75210	1.2
59.01388	21.4
59.77452	1.2
61.07384	1.3
61.98835	3.4
64.34305	1.4
70.13898	1.6
71.01370	1.5
82.07130	1.3
83.33125	1.5
89.02455	1.6
89.79286	1.3
91.01886	1.3
93.03411	1.5
93.81395	1.3
94.68600	1.4
96.17641	1.4
96.95979	6.9
102.82053	1.3
108.02144	6.9
119.05041	1.9
121.02969	1.7
123.04517	5.5
158.03726	9.6
159.04512	7.9
162.05698	2.0
173.06093	11.4
188.40260	1.7
196.08495	3.2
213.05377	1.9
228.04337	8.7
229.04990	10.1
238.06425	7.9
239.03447	2.8
243.06726	7.0
244.07408	1.8
252.07944	1.5
255.03133	1.9
256.03967	10.4
257.04581	98.6
265.05060	14.6
266.05905	8.5
267.06601	14.0
270.10031	2.6
271.06116	24.0
272.06921	13.0
280.07385	8.4
281.08264	27.3
282.08887	11.4
287.05661	11.0
287.09250	36.2
288.09869	1.6
295.09717	6.7
298.09509	2.1
309.73047	1.6
364.11807	2.1
379.14261	8.8
394.16571	15.0
411.19266	5.9
422.14938	35.0
437.17221	100.0
455.12653	2.4
455.18353	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	2.4
59.79771	0.2
60.54728	0.3
61.98837	100.0
71.01383	3.3
73.02944	0.6
78.13795	0.3
82.55324	0.4
83.01399	0.6
85.02969	1.9
86.17296	0.3
88.98805	0.5
89.02440	1.2
93.03464	0.5
96.96005	10.4
96.96563	0.5
99.00894	0.5
99.05658	0.5
101.02444	2.7
103.03671	0.3
107.05031	0.5
110.97569	0.4
113.02480	1.4
114.72003	0.3
116.05157	0.3
119.05018	22.6
128.03555	0.8
133.03012	0.6
134.03741	0.5
135.04526	10.8
137.02470	0.5
143.04698	0.6
144.04608	0.6
145.03000	2.8
146.06183	1.5
147.06438	0.4
151.04074	0.5
160.04118	0.5
161.02373	2.9
161.04633	0.7
161.05977	0.3
162.05681	1.7
173.04504	0.5
188.03639	0.6
191.05591	0.4
198.09036	0.3
221.39085	0.4
227.03619	1.2
229.05203	0.5
237.07826	0.5
242.05978	1.8
257.08224	2.4
272.08960	0.7
277.15707	0.6
289.15845	1.3
290.18665	3.3
293.16223	1.4
306.07773	0.5
306.18277	6.0
306.21213	0.4
307.08212	0.6
316.16724	0.4
332.16199	10.6
343.37784	0.3
390.13620	0.5
405.16049	1.2
452.22012	33.0
453.21951	0.5
455.21991	4.8
485.11807	0.6
515.12335	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	515.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47116	0.2
59.12210	0.2
60.30661	0.2
65.54360	0.2
68.59831	0.3
75.06491	0.2
78.95902	58.0
96.96960	6.9
113.97437	0.3
132.04422	0.2
150.98050	2.3
152.99583	100.0
171.00635	4.0
264.61542	0.3
279.23325	1.9
318.27051	0.3
340.21881	0.3
387.86969	0.3
427.63266	0.3
433.23621	24.6
436.62372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15768	0.1
58.74148	0.1
60.25825	0.1
61.98825	0.2
66.96559	0.1
76.57046	0.1
80.31245	0.1
86.52042	0.1
92.12165	0.8
100.59621	0.1
106.04240	0.9
107.05019	1.2
108.02169	0.1
121.02948	0.2
132.49284	0.1
135.07739	0.1
149.09735	0.1
149.17793	0.1
162.10419	0.2
163.11292	38.9
164.11647	0.2
175.11320	2.0
176.12061	0.9
177.09253	0.2
177.12845	4.6
190.09987	1.4
194.09407	0.2
201.12807	0.5
202.51802	0.1
207.10257	0.6
208.11073	4.2
224.17694	0.1
267.13855	0.2
279.13925	0.2
281.15469	2.1
282.16260	4.9
283.17041	6.9
293.15530	1.9
294.16312	0.5
295.17096	0.6
297.15030	0.2
321.18668	0.2
326.15225	0.2
335.20169	0.2
336.21204	0.2
339.23315	100.0
340.23520	1.3
349.21780	0.5
351.23349	6.5
506.17941	0.1
515.35339	57.9
516.35742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72308	0.5
55.88501	0.6
55.88760	0.6
58.02983	10.7
61.98859	0.7
62.20729	0.6
63.50585	0.7
66.03491	0.6
70.02991	0.9
72.00890	1.2
74.02471	22.3
74.02887	0.8
81.04566	1.1
82.02992	1.3
83.02544	0.8
85.04092	0.8
86.02479	7.7
86.06081	1.0
86.99086	1.2
87.05638	6.4
90.00175	1.4
96.96029	1.3
97.04066	1.3
99.05635	20.2
101.07219	3.5
102.05594	3.4
102.69529	0.7
109.04120	3.0
109.72506	0.8
110.02526	0.6
111.05672	1.6
111.62491	0.7
112.04050	3.2
116.01789	1.0
123.05653	1.3
124.04061	1.1
125.03536	1.2
126.04337	0.7
127.05125	4.0
127.08799	0.8
128.03534	51.6
135.05655	4.2
137.07246	1.3
141.06720	7.0
143.04628	75.3
144.01283	0.8
144.04640	1.4
145.06203	2.9
146.04597	7.0
146.06061	1.1
148.15125	0.7
153.06711	6.2
155.08180	0.8
160.00725	14.7
166.09839	1.5
167.04634	4.8
167.08272	0.7
177.03392	7.0
179.04622	12.1
181.06241	1.3
184.10970	1.1
185.05748	1.4
190.05170	0.8
192.07825	1.4
197.05618	1.3
210.08894	13.9
218.63260	0.7
242.07945	1.6
254.07852	12.8
272.08911	16.8
285.70743	0.8
288.06696	7.0
306.07690	100.0
307.07922	0.9
516.16144	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	516.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	18.7
60.72974	0.8
61.69992	0.9
63.23634	0.7
69.88218	0.8
71.01398	10.0
73.02955	2.1
77.17822	0.8
78.23527	0.9
83.01387	1.1
83.89373	1.0
85.02950	3.6
89.02445	13.5
96.96002	3.9
99.00916	1.7
101.02451	11.1
104.71995	0.9
111.55202	1.1
113.02446	4.1
116.05073	17.0
119.03487	6.1
121.83424	1.0
128.05075	4.1
131.03761	7.7
131.07146	2.2
131.09106	0.8
132.04532	3.6
143.04654	2.2
144.04552	72.0
145.04868	1.4
146.06125	100.0
147.06430	3.8
160.01636	1.6
160.04041	16.4
162.05618	27.0
163.06007	1.2
170.06119	1.1
172.04057	29.5
175.04013	1.1
181.07130	6.7
190.05115	80.7
191.05510	3.4
232.06172	5.6
233.20657	1.0
254.07782	1.4
293.12445	1.8
307.80920	1.1
343.12607	6.8
377.68707	1.0
438.14243	8.6
486.89386	1.1
516.17242	59.5
516.24921	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	516.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26974	1.3
59.01390	8.2
59.39602	1.3
61.92522	1.2
61.98844	14.8
71.01401	1.8
71.01766	1.3
71.74557	1.4
93.03432	3.4
96.96002	3.0
98.02452	1.7
106.66589	2.1
109.02931	3.1
117.03443	8.7
119.05041	13.6
121.02927	2.6
127.70373	1.4
128.03471	3.6
132.02148	9.0
133.02950	37.5
134.03728	100.0
135.04523	36.0
137.02422	1.8
145.02960	22.3
148.05223	1.8
149.06076	54.8
153.02034	1.8
153.55823	1.7
160.01646	2.8
160.04018	3.8
161.02397	7.5
162.05577	7.9
163.03975	2.2
175.03978	9.6
176.03339	1.7
176.04756	2.1
177.01967	1.9
188.03557	7.5
193.05090	3.5
195.07802	3.5
196.08348	3.7
197.09058	1.7
199.04019	2.7
227.03511	15.6
228.03899	10.3
229.05026	3.6
230.05417	2.1
237.07668	9.6
242.05800	22.8
243.06255	13.4
247.11035	1.7
257.08194	25.7
258.08469	17.4
267.06680	1.6
278.10370	32.8
288.17035	2.8
304.16595	17.2
306.18262	2.3
329.13821	1.7
330.14700	14.0
355.90128	1.7
356.16385	1.8
385.89063	1.7
391.90912	2.0
440.15530	2.1
455.18213	2.3
456.18469	17.0
478.20374	2.0
480.21472	91.8
516.18158	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	516.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40530	0.1
61.11665	0.1
61.98835	100.0
107.47310	0.1
130.45416	0.1
134.03944	0.1
134.14096	0.1
221.60466	0.1
235.70308	0.1
291.68591	0.1
319.61642	0.1
331.20078	0.1
402.64252	0.1
447.62253	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	517.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60627	0.7
54.38716	0.7
59.01146	0.8
59.01386	14.1
61.98833	13.1
64.34160	0.8
71.01393	9.0
71.05019	1.9
74.62636	0.7
85.02962	1.3
87.00872	0.9
89.02453	3.9
89.03957	1.5
93.03448	6.0
101.02459	3.5
113.02436	3.4
117.03457	6.8
119.03446	1.3
119.04977	0.9
121.02955	1.4
132.02155	2.0
133.02957	10.0
134.03738	100.0
135.04564	6.6
136.01678	7.5
137.02461	6.7
147.04527	11.2
148.05289	7.6
149.06071	20.2
151.04018	3.9
158.03732	4.0
160.01659	30.9
160.03943	1.0
161.02423	5.7
162.05589	3.9
163.03922	1.7
173.06049	1.8
174.03226	0.9
175.03996	36.3
176.04787	30.6
177.01918	8.1
178.02676	7.2
179.03589	1.2
191.07155	38.1
192.04253	4.1
193.05064	61.7
207.06619	13.3
217.05194	1.3
220.03766	8.6
235.06137	66.3
265.07211	9.5
274.09610	6.1
289.11996	12.7
295.08279	12.8
341.09137	10.8
393.75140	0.9
425.14597	10.3
439.18961	1.9
457.17688	1.5
517.13885	48.7
518.14490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1564
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
51.81547	0.7
59.01106	1.2
59.01385	23.3
59.39892	0.7
59.51683	0.7
64.06188	0.9
71.01385	12.7
73.02927	1.7
76.57910	0.9
85.02943	1.8
87.00865	1.3
89.02436	17.8
93.03423	1.5
101.02431	10.5
103.03989	1.1
104.26949	0.9
113.02444	5.9
117.03454	1.8
119.03469	4.7
132.02155	22.3
133.02896	1.7
134.03722	49.5
137.02452	1.7
144.04575	1.6
146.06088	4.7
147.04495	1.8
147.06413	3.6
149.06079	4.6
160.01649	97.9
161.02431	5.1
162.05630	0.9
163.06073	0.8
172.04083	1.0
174.20514	0.9
175.03986	100.0
176.04636	1.5
178.02718	3.7
179.05598	2.2
190.04994	3.2
190.85988	0.8
191.05455	1.0
191.07144	1.4
193.05043	50.0
198.40756	0.9
202.02704	0.8
217.05064	1.6
221.06563	1.5
221.47418	0.9
241.06505	0.9
253.07155	5.2
337.09311	1.9
341.10892	1.6
457.22668	1.0
517.15796	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1576
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
59.01390	19.0
61.98838	15.4
63.66724	0.9
71.01395	13.6
73.02927	2.0
73.08563	1.1
85.02937	5.4
87.00862	1.6
89.02441	11.6
89.50552	1.0
93.03416	1.3
95.01404	1.4
96.48689	1.0
96.96001	1.4
101.02428	16.0
113.02443	8.8
114.01945	1.2
117.03440	4.7
119.03474	2.0
121.02960	1.2
132.02182	13.8
133.02950	4.7
134.03737	93.6
135.04428	1.3
137.02451	4.5
147.04466	1.9
149.02412	1.9
149.06059	14.3
160.01663	96.5
164.04778	2.0
175.04004	100.0
176.04759	5.4
177.01881	1.6
178.02704	7.3
191.07181	9.7
193.05061	72.8
194.05334	1.4
203.04729	1.1
207.06619	2.1
212.04848	1.6
220.03690	1.2
223.06091	2.2
227.07137	2.2
235.06154	17.8
258.04919	1.7
265.07138	5.1
295.08243	6.3
337.09299	5.7
355.10605	3.9
424.15543	1.4
438.17773	4.2
439.17770	7.8
457.18942	1.4
517.15656	54.3
518.15912	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.8
59.01383	13.5
61.98830	5.8
71.01381	36.8
72.00912	10.3
72.99284	1.7
73.02936	11.0
74.02470	18.7
78.95905	1.6
83.01386	3.2
85.02943	21.1
86.10146	1.3
89.02459	1.9
93.03506	1.5
95.01376	2.4
96.95997	11.9
99.00877	6.5
101.02444	21.4
106.04234	7.7
107.05039	77.9
109.02985	2.5
113.02455	17.0
116.05064	53.6
130.06581	1.6
140.57639	1.3
142.06610	14.6
151.04012	59.3
157.07738	1.7
159.02983	2.2
159.09297	10.4
160.31009	1.3
161.04575	24.3
199.19815	1.5
203.08282	100.0
221.59019	1.6
313.09372	14.6
339.30057	1.5
451.21695	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75800	0.9
53.50751	0.9
54.82299	0.9
57.03454	97.5
58.00610	2.1
59.01385	95.8
61.70107	1.0
61.98838	10.8
63.43616	0.9
71.00984	1.7
71.01379	48.7
72.99280	2.0
73.02943	40.2
81.03470	1.5
83.01376	11.6
85.02952	11.9
89.02438	38.2
91.71724	1.1
95.01391	4.3
99.04515	14.8
101.02432	56.2
111.00879	1.6
111.18218	1.1
113.02439	17.3
113.06077	2.5
119.03474	19.1
123.04486	8.4
125.02422	6.7
131.03506	2.5
135.04578	1.3
139.65201	1.2
141.05605	1.5
143.03477	2.4
149.04553	1.3
161.02492	1.3
161.04579	1.9
169.04713	1.3
184.66574	1.4
193.12318	13.1
201.42979	1.1
237.58951	1.3
262.18872	1.2
320.20261	1.1
355.17892	1.7
373.18686	100.0
415.19754	47.3
455.22678	10.8
517.22858	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	517.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52551	0.4
54.70847	0.4
59.01371	0.6
69.39882	0.4
75.65849	0.5
78.95906	67.8
86.52961	0.4
96.96947	6.6
118.26588	0.5
119.48682	0.5
150.98001	1.3
152.99585	100.0
171.00668	2.8
182.73660	0.5
220.85991	0.5
277.21512	0.7
281.24969	6.3
435.25186	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87341	0.4
52.09735	0.4
56.73154	0.4
58.48416	0.4
59.01386	6.0
59.09559	0.4
61.98819	3.1
71.01046	0.5
71.01365	4.7
85.02930	1.1
85.56242	0.4
87.00822	0.6
89.02427	3.0
95.01402	0.6
101.02396	3.5
105.02174	2.8
113.02407	2.3
119.03485	1.0
122.02466	53.8
123.03252	18.3
133.01688	13.5
134.02484	0.7
135.03195	1.9
138.05597	100.0
145.02997	0.5
148.04050	14.0
149.01091	3.5
150.01920	4.7
150.05655	0.6
155.02225	0.8
161.04594	0.5
162.05438	0.5
164.03572	1.0
166.05075	31.4
175.03905	1.0
179.02232	11.8
187.97188	0.5
190.17938	0.5
194.04576	97.7
195.04883	0.9
221.06653	0.8
226.69081	0.4
275.72876	0.5
518.15186	33.9
519.15558	0.6
538.60004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68820	0.1
51.18306	0.1
54.24757	0.1
54.82819	0.1
55.20352	0.1
56.45618	0.1
59.01381	0.3
60.66076	0.1
61.98835	100.0
62.15118	0.2
71.01393	0.3
80.55482	0.2
84.68569	0.1
93.03459	0.4
99.93201	0.2
107.05017	0.3
108.02235	0.2
110.06537	0.2
123.04527	0.3
130.08780	0.2
132.02193	0.2
133.03014	1.1
134.03734	12.6
135.04517	11.0
137.02504	0.2
145.03041	0.2
146.06285	0.3
148.05345	0.9
149.02560	0.2
149.06088	5.6
149.07185	0.2
152.01199	0.4
153.01942	1.7
154.02365	0.2
160.01717	0.3
160.04060	1.5
161.02428	2.3
162.01912	1.1
162.05658	1.0
167.03564	0.8
168.04318	0.6
175.04059	0.9
176.03639	0.3
186.33939	0.2
188.03534	0.3
190.05209	0.7
204.06789	0.8
232.42957	0.2
247.11163	0.3
258.34979	0.2
289.15564	0.6
298.30209	0.2
304.16800	1.5
305.17593	0.7
306.18231	3.7
320.19821	1.6
330.14847	0.3
332.16183	4.3
346.17740	0.3
403.18219	0.2
480.21436	2.4
481.14285	0.3
481.22021	0.2
482.14990	0.8
482.23004	17.8
518.13367	0.3
527.64972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68820	0.1
51.18306	0.1
54.24757	0.1
54.82819	0.1
55.20352	0.1
56.45618	0.1
59.01381	0.3
60.66076	0.1
61.98835	100.0
62.15118	0.2
71.01393	0.3
80.55482	0.2
84.68569	0.1
93.03459	0.4
99.93201	0.2
107.05017	0.3
108.02235	0.2
110.06537	0.2
123.04527	0.3
130.08780	0.2
132.02193	0.2
133.03014	1.1
134.03734	12.6
135.04517	11.0
137.02504	0.2
145.03041	0.2
146.06285	0.3
148.05345	0.9
149.02560	0.2
149.06088	5.6
149.07185	0.2
152.01199	0.4
153.01942	1.7
154.02365	0.2
160.01717	0.3
160.04060	1.5
161.02428	2.3
162.01912	1.1
162.05658	1.0
167.03564	0.8
168.04318	0.6
175.04059	0.9
176.03639	0.3
186.33939	0.2
188.03534	0.3
190.05209	0.7
204.06789	0.8
232.42957	0.2
247.11163	0.3
258.34979	0.2
289.15564	0.6
298.30209	0.2
304.16800	1.5
305.17593	0.7
306.18231	3.7
320.19821	1.6
330.14847	0.3
332.16183	4.3
346.17740	0.3
403.18219	0.2
480.21436	2.4
481.14285	0.3
481.22021	0.2
482.14990	0.8
482.23004	17.8
518.13367	0.3
527.64972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88425	0.2
59.01390	1.2
61.98835	100.0
66.02658	0.2
71.01395	0.4
90.43136	0.2
101.02466	0.2
108.02141	0.2
113.02464	0.2
119.05106	0.2
120.04595	0.2
130.76276	0.2
133.02914	0.2
134.03777	0.9
134.06224	0.2
136.01666	0.2
144.04602	0.3
146.06157	0.2
147.03313	0.4
160.04028	1.9
162.05615	10.1
163.05933	0.3
167.03618	0.8
175.04147	0.2
186.67624	0.2
188.03531	1.6
190.02721	0.4
193.05061	0.3
205.05141	0.2
206.04601	5.8
206.06436	0.3
207.04988	0.2
210.82761	0.2
291.45996	0.2
366.15192	0.2
465.31097	0.2
518.14093	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	518.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	0.4
59.01390	2.0
61.98834	100.0
71.01389	0.8
72.90639	0.4
85.02995	0.4
93.03468	0.5
107.05048	0.8
108.02186	2.3
123.04563	0.8
123.59457	0.4
130.08699	0.6
132.02245	0.6
133.02972	7.9
133.50536	0.4
134.03737	57.0
135.04524	50.0
136.04948	0.4
137.02528	0.5
144.04565	0.8
145.03011	0.8
147.03308	0.5
148.05319	3.4
149.06084	27.4
152.01178	4.5
160.01733	2.5
160.04021	4.0
161.02437	8.5
161.04788	0.4
161.06097	0.9
162.02008	1.0
162.05598	6.0
167.03488	4.0
175.03995	4.5
176.03540	1.5
178.05115	0.8
188.03583	2.2
190.05209	2.0
191.35614	0.5
202.05145	0.6
204.06633	3.5
206.04672	2.4
218.08359	0.6
223.88843	0.5
247.10921	2.8
248.05753	2.2
249.12454	0.5
261.12521	0.6
264.17496	0.6
278.10641	0.5
289.15683	3.2
304.16656	6.5
305.17526	3.8
306.18250	16.1
320.19781	5.9
330.14722	1.7
331.15445	0.8
332.16190	16.9
341.03705	0.4
350.09039	2.0
376.07306	0.6
379.07687	0.5
480.15106	0.9
480.21417	8.8
482.22989	64.7
483.23837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.0
61.98831	3.1
62.60688	0.5
73.34525	0.5
73.85239	0.5
78.95902	49.2
85.61866	0.5
96.96963	7.4
108.32701	0.5
125.19314	0.5
149.71674	0.5
150.98042	2.0
152.99588	100.0
171.00648	3.6
266.01016	0.6
277.21918	0.7
295.22751	2.7
296.23184	2.7
307.62042	0.6
381.46970	0.7
431.22073	20.8
453.23785	0.6
518.25464	5.1
529.53766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	23.4
61.61906	1.1
71.01376	16.2
73.02923	1.9
85.02944	5.1
88.98824	2.5
89.02438	13.5
92.47671	1.3
101.02440	13.6
102.98582	4.5
108.04561	1.2
113.02465	4.6
117.03455	6.0
119.03439	1.3
122.02496	2.1
131.03532	2.0
132.02174	17.3
133.02972	1.8
134.03749	67.2
135.04491	5.0
138.05627	15.7
144.89099	1.2
148.05258	1.5
149.06062	9.1
153.01936	2.1
160.01663	100.0
161.02365	6.5
161.04501	1.9
163.06201	3.6
166.05084	1.1
173.00291	1.1
175.04007	90.0
176.04753	10.1
178.02721	5.6
179.05630	1.6
181.07187	7.0
189.05809	1.5
191.07129	13.4
193.05061	59.1
207.06664	4.7
235.06114	20.0
253.07147	4.9
265.07181	2.0
295.08313	7.6
325.11462	4.4
337.09326	7.8
376.47601	1.3
408.81943	1.3
475.59192	1.2
519.17169	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09156	13.1
54.96652	13.6
58.80818	14.2
59.01375	100.0
61.98836	26.8
70.11260	13.5
72.78494	13.8
78.95922	24.3
106.27251	15.9
152.99603	16.2
153.60596	13.3
270.02682	19.5
273.92535	18.5
345.22067	16.9
416.22189	20.8
510.88660	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	519.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31264	0.4
51.32245	0.4
59.01388	100.0
61.98846	1.1
64.52872	0.5
78.95933	0.6
96.10109	0.6
99.92690	0.4
108.73862	0.4
116.92861	0.8
133.95659	0.5
207.55350	0.5
345.41290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82486	0.7
58.06470	0.4
59.01380	2.2
61.90517	0.5
61.98832	100.0
64.43742	0.5
71.01392	0.6
71.92078	0.5
96.96009	0.7
99.42002	0.6
109.02946	0.8
128.03471	0.6
133.02931	0.6
134.03748	0.6
135.00862	0.6
138.54907	0.5
153.01883	2.0
160.04106	1.0
162.05627	3.4
188.03645	0.7
189.89378	0.5
205.93073	0.5
206.04535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.2
63.22915	0.2
78.95905	44.7
96.96961	8.2
127.68306	0.2
150.98038	2.2
152.99582	100.0
153.99892	0.5
155.30811	0.2
171.00652	4.0
207.19763	0.3
279.23264	2.1
282.91696	0.3
393.07883	0.3
433.23621	19.2
468.32111	0.3
520.26727	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	520.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17557	0.2
53.53518	0.2
60.82825	0.2
61.98840	0.4
64.71725	0.2
65.75856	0.2
69.41316	0.2
78.95902	67.9
96.96942	5.8
102.76440	0.2
115.94388	0.2
117.67197	0.2
127.81341	0.2
135.78424	0.2
150.98018	1.5
152.99583	100.0
171.00687	2.0
279.23303	2.7
311.33896	0.2
345.30417	0.3
363.39639	0.3
432.74463	0.2
433.23630	31.4
434.23917	0.2
520.26758	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	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83259	0.2
57.72439	0.2
59.27668	0.2
61.98824	2.4
78.95898	68.9
96.96958	5.1
98.07914	0.2
104.47742	0.3
105.81527	0.2
150.98044	1.7
152.99582	100.0
171.00595	2.1
188.53799	0.2
279.23303	3.3
411.12943	0.2
433.23618	36.2
492.88074	0.2
520.26801	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	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66151	0.1
52.35955	0.1
54.82800	0.2
55.33280	0.1
60.34262	0.1
61.63732	0.2
61.98824	1.0
75.77048	0.2
78.95897	48.2
79.59480	0.2
92.12365	0.5
95.26889	0.2
96.96952	7.6
144.47435	0.2
150.97971	2.0
152.99582	100.0
171.00636	3.2
255.56766	0.2
279.23251	1.3
433.23630	19.7
434.23923	0.4
520.26874	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	520.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
70.47379	0.5
78.95874	5.3
79.93704	0.5
79.99763	0.6
85.10426	0.5
96.42677	0.5
110.98513	3.5
135.50403	0.6
152.99585	0.8
167.01176	1.0
171.13005	0.5
185.02161	2.6
208.70204	0.5
231.88333	0.6
279.23291	100.0
280.23718	1.3
322.29337	0.5
341.26566	0.6
362.51343	0.6
447.25180	23.3
448.25464	1.2
501.19168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43922	0.3
58.42763	0.3
59.01371	1.8
59.52762	0.3
67.01900	0.8
71.01375	0.8
72.99310	8.4
74.73914	0.3
86.93951	0.3
89.02428	1.7
95.00774	0.9
95.01386	25.0
96.96012	2.0
101.02438	0.7
113.02454	0.5
114.53204	0.4
122.02483	8.9
123.00875	100.0
124.01213	0.4
133.46983	0.3
137.02425	0.4
140.84850	0.3
151.30695	0.4
173.96242	2.2
185.96335	0.4
200.14853	0.4
209.48198	0.3
218.96010	2.1
242.24266	0.4
316.95523	0.4
317.03745	4.4
332.15903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35715	0.4
54.04692	0.4
59.01381	2.9
61.98826	0.6
65.03967	11.1
66.74812	0.5
67.01897	5.4
70.77779	0.5
71.01374	2.3
85.02940	1.0
87.00889	0.7
91.01886	1.2
98.34306	0.5
101.02466	0.9
109.02953	100.0
110.03254	0.6
113.02412	1.0
119.01395	0.8
119.05047	0.9
121.02972	1.0
127.77631	0.5
134.03833	0.5
135.00897	11.8
136.89653	0.5
137.41122	0.5
145.03125	0.5
147.00948	0.9
149.02452	11.0
149.06158	0.5
153.01945	86.5
162.05632	1.0
163.04053	1.0
163.99452	0.5
164.04793	9.6
173.46814	0.5
175.00352	11.1
175.24266	0.5
176.01141	0.6
179.07167	1.2
190.02734	33.7
191.03523	1.1
199.04335	0.5
205.03165	1.2
205.05087	32.1
208.03764	1.2
223.06137	8.2
250.27478	0.5
315.07391	2.1
322.19998	0.5
367.10327	16.7
477.14194	3.5
480.58386	0.6
521.13007	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54292	0.2
58.37959	0.3
59.01108	0.5
59.01384	10.7
62.50947	0.2
68.99776	0.3
71.01381	5.7
71.05010	1.8
72.99300	3.6
73.02934	3.1
75.00867	43.4
81.03452	2.9
81.03851	0.3
85.02924	1.4
87.00872	3.4
89.02435	6.5
99.00873	5.1
99.04485	1.6
101.02413	1.5
107.80294	0.3
110.99702	0.3
113.02435	1.6
115.03977	0.3
119.03465	1.1
125.02409	0.5
131.03510	0.5
143.03488	9.0
161.04526	5.1
164.31145	0.3
179.05603	100.0
180.29987	0.3
214.46240	0.3
341.11002	5.0
417.62878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16416	0.5
57.97839	0.5
59.01384	3.7
61.98829	3.6
62.88492	0.5
71.01378	2.2
74.24485	0.7
82.95394	0.7
85.02969	0.7
88.98203	0.6
89.02414	0.6
95.01382	0.9
96.96022	0.9
97.88454	0.7
98.17933	0.7
101.02431	0.8
113.02401	0.7
122.03668	0.6
123.00874	2.6
123.04520	1.0
124.01636	0.9
134.03702	0.9
135.04532	1.1
136.01724	0.8
137.02422	4.8
137.09709	4.0
143.05006	1.4
145.02966	0.8
145.06502	0.7
146.03729	1.3
147.04489	6.4
149.02480	2.9
150.01978	5.9
150.03220	7.4
151.04021	11.9
152.04781	2.3
153.05545	0.9
158.03737	5.8
159.04515	17.7
160.05293	54.3
161.06084	17.2
162.05629	2.6
163.04010	6.3
164.04776	11.6
166.06320	0.7
167.03311	0.6
173.06032	7.0
175.04039	1.4
175.07635	35.7
176.04755	1.4
177.05553	13.6
178.06346	8.1
179.03467	0.8
179.07210	0.8
184.03880	0.7
190.02832	0.7
192.07927	0.9
193.08669	2.5
198.05292	0.8
206.04623	0.8
218.04283	0.7
223.06035	0.6
239.12827	6.5
280.22040	0.6
329.10339	0.9
359.15042	100.0
396.44260	0.6
485.11761	2.3
521.16504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91736	0.2
52.62865	0.2
59.01384	0.5
61.98831	0.5
66.73372	0.2
68.60094	0.2
76.57360	0.2
80.59223	0.2
82.57551	0.2
85.10188	0.2
85.38727	0.2
87.35671	0.2
87.75391	0.2
174.49684	0.2
199.78343	0.2
241.21744	49.6
261.22162	0.3
279.23294	100.0
280.23572	0.5
525.87207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65480	0.2
56.15345	0.2
58.44560	0.2
59.01389	0.5
59.96557	0.2
61.98837	100.0
71.01382	0.2
88.12311	0.2
101.02456	0.2
107.80171	0.2
120.89180	0.2
134.03770	0.3
146.06157	0.5
160.01668	0.5
160.04118	0.3
162.05670	1.2
172.04105	0.2
175.04057	0.9
188.03580	0.2
193.05138	0.7
206.04605	0.2
261.03668	0.2
283.67337	0.2
315.81424	0.2
318.82660	0.2
459.15198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99067	0.5
51.27575	0.4
57.38396	0.4
59.01107	0.6
59.01379	10.0
61.98832	72.8
71.01046	0.5
71.01390	5.9
72.99298	0.6
73.02924	0.6
76.24877	0.5
78.95883	2.4
85.02934	2.3
89.02437	6.2
96.95988	4.4
100.18969	0.5
101.02435	4.4
105.16142	0.5
110.98536	3.1
113.02422	2.9
117.03400	1.1
119.03469	0.9
123.00886	2.8
123.04511	0.5
124.01216	0.7
133.02942	22.4
134.03685	0.8
135.04514	9.3
135.06651	2.1
140.16351	0.5
145.02933	2.8
146.06128	2.3
152.98297	0.5
153.15042	0.5
153.42706	0.5
153.99084	2.8
160.04065	0.7
161.02441	100.0
162.02820	0.9
162.05658	2.1
163.03978	1.0
169.01418	17.0
179.03516	7.4
184.03757	8.0
185.02211	3.6
188.03607	1.1
190.05023	1.0
199.06154	5.7
205.05069	0.7
221.04668	0.6
281.06726	0.6
325.09323	1.0
459.15134	70.5
460.15707	2.2
486.16147	0.7
487.14990	0.6
522.22638	3.1
523.15265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74249	0.6
57.02203	0.5
57.42324	0.6
59.01387	52.7
59.68233	0.7
63.38124	0.6
63.52435	0.6
64.34653	0.6
71.00988	1.4
71.01382	39.2
72.00900	9.3
72.99300	1.1
73.02939	0.7
74.02456	0.8
83.49203	0.7
85.02941	6.4
89.02440	56.2
93.03450	11.8
95.01358	2.6
96.95940	0.6
101.02437	17.7
106.04234	1.3
113.02442	16.0
116.07155	0.8
119.03510	17.6
119.05014	28.7
131.03477	2.8
134.06213	0.7
136.07707	0.8
143.03494	3.2
149.04565	0.9
161.04536	1.6
163.04007	40.7
174.69438	0.6
179.05600	20.6
179.07054	1.3
180.06662	100.0
211.08342	0.6
229.46056	0.7
327.33478	0.7
341.10910	98.6
348.31329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82497	0.4
61.98822	1.7
64.34161	0.4
72.08045	0.4
78.95897	50.4
88.98802	1.8
96.96958	6.1
115.90277	0.5
121.02959	0.5
150.97983	1.9
152.99583	100.0
171.00661	3.0
254.29442	0.4
268.34180	0.5
279.23346	0.8
280.23651	1.8
281.24701	1.7
411.72888	0.4
433.23700	0.6
435.25211	22.5
491.86414	0.4
498.68195	0.4
522.16437	0.6
522.28412	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	522.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86182	0.3
61.98829	2.2
78.95904	4.8
92.12339	1.2
110.98533	3.1
115.92051	0.7
167.01227	0.8
179.89175	0.6
185.02197	2.8
193.90797	0.9
194.53777	0.4
194.91608	0.5
196.89497	2.3
281.24860	100.0
282.25275	1.7
361.00558	0.5
449.26810	21.5
523.17859	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	522.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97569	50.3
58.44223	0.5
59.01365	0.6
61.98829	2.1
68.01412	2.1
69.24926	0.5
72.99304	4.7
91.03007	2.1
98.00698	23.3
99.00240	0.6
99.13673	0.6
106.29337	0.5
110.47543	0.5
111.00226	2.3
111.98623	2.2
113.01782	4.4
124.01003	100.0
124.30249	0.5
125.01788	33.7
138.98643	0.9
138.99719	17.5
139.99408	1.2
140.00507	36.8
141.01248	0.8
154.65811	0.5
160.21135	0.4
167.99995	24.7
169.00751	6.9
209.27090	0.5
225.70041	0.5
279.11734	2.2
293.21259	2.8
295.22772	1.0
417.22049	3.5
419.23798	28.4
435.23288	10.6
445.21991	0.8
463.22830	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56930	0.1
51.95625	0.1
63.34469	0.1
63.69340	0.1
66.95926	1.1
82.95419	100.0
83.02518	0.5
84.95112	0.6
92.03878	0.1
106.38147	0.1
144.15398	0.1
274.07202	0.1
437.29678	0.2
523.17963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.5
61.98824	0.4
67.24315	0.3
71.01376	2.5
73.02944	0.3
85.02943	0.6
87.12671	0.3
88.93564	0.3
89.02427	2.6
91.63733	0.2
96.95979	0.7
101.02410	2.3
113.02439	0.7
119.03462	1.2
125.02421	1.1
125.99562	0.4
130.00279	0.3
131.03505	0.4
132.04521	1.6
144.04562	2.0
145.04935	1.0
146.06091	0.5
152.98257	1.1
153.99068	22.9
160.04013	6.2
161.04375	2.1
162.05588	10.6
163.05946	4.6
168.00601	0.4
169.01413	100.0
170.01654	0.4
178.05034	1.1
179.05527	1.7
183.02965	1.7
184.03758	49.8
188.03540	10.6
188.05241	0.4
189.03831	3.7
190.05089	0.4
199.06116	36.0
206.04573	3.7
207.04947	1.7
221.06660	1.2
263.03912	0.4
288.37961	0.3
323.09808	1.7
324.57315	0.3
426.44733	0.3
486.16092	4.9
487.16580	11.8
523.16199	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	523.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43919	0.4
59.01389	5.7
61.98836	11.4
69.33321	0.3
71.01387	4.1
73.02929	0.5
79.29642	0.4
81.46717	0.4
84.36514	0.4
85.02947	0.7
89.02444	3.8
94.70615	0.5
96.96001	18.4
97.72193	0.4
101.02440	2.8
105.30360	0.5
113.02480	1.4
117.03407	0.4
119.03495	2.2
119.05023	1.8
119.81498	0.4
120.85049	0.4
123.00827	0.6
124.02741	0.4
124.98821	0.6
125.02490	0.9
131.03508	0.6
133.02933	3.7
134.03308	0.6
135.04514	0.9
145.02942	4.2
152.98303	1.9
153.99091	20.1
160.69644	0.5
161.02441	11.9
161.04565	0.8
161.06036	0.5
162.02812	5.9
162.05583	0.6
163.04034	1.6
168.00623	2.4
169.01428	100.0
170.01840	0.6
179.03421	0.7
179.05650	0.7
183.03040	1.7
184.03772	57.2
199.06133	38.0
205.05093	1.6
221.06708	0.6
235.06104	0.8
265.07162	0.9
323.09924	2.1
325.09305	1.0
361.09601	3.0
367.10550	0.7
459.15149	3.0
460.15607	8.9
463.10406	1.6
508.14691	0.8
523.15662	6.7
526.99408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1773
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
50.68644	0.8
62.57935	1.1
71.01383	1.2
78.95897	94.1
96.96953	1.0
99.92570	26.4
100.93349	2.4
110.98520	15.6
115.92068	28.9
116.92850	23.2
124.64081	1.0
150.98070	1.7
152.99599	4.8
155.95175	2.1
156.89993	1.1
164.90437	1.7
164.99564	1.5
167.01169	2.4
178.88446	2.6
179.89224	42.6
179.90723	2.1
180.90022	19.2
181.90865	7.5
193.90775	42.8
194.91582	18.7
195.92363	1.4
196.89488	87.8
210.91132	1.3
236.92609	1.2
248.92636	2.3
249.93423	2.0
255.23328	8.3
266.93625	1.8
281.24857	49.4
282.25189	26.9
295.26556	1.2
306.53339	1.2
357.34122	1.3
363.86969	1.4
411.18484	4.2
449.26523	7.8
450.27216	7.6
505.16779	1.6
523.17798	100.0
524.18048	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	523.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	44.5
61.98829	35.4
71.01373	17.3
82.95409	12.9
83.94276	7.1
85.62245	7.9
87.00886	8.0
93.03430	47.6
96.95996	100.0
98.48106	7.2
101.02428	10.6
113.02428	9.1
119.04970	9.4
123.04498	8.6
134.03728	83.8
136.01669	95.2
137.02399	59.3
144.76315	6.8
149.06091	44.1
151.04034	71.5
152.01151	11.4
153.01874	8.6
155.10738	9.9
160.04004	7.5
162.05614	40.8
167.03506	37.9
188.03531	16.6
193.05090	8.8
196.08412	8.8
203.89929	7.6
227.03606	14.0
229.05017	9.4
237.19601	6.9
242.05875	59.2
246.43358	6.8
257.08197	81.1
297.06320	9.5
311.07755	40.1
350.08783	11.1
361.22250	11.9
368.19495	8.7
412.08847	8.3
441.65491	7.2
455.18259	79.7
463.12958	13.0
505.13406	10.0
505.98770	9.5
523.14648	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63107	1.5
51.80023	1.3
52.23558	1.3
57.03460	1.7
59.01380	7.5
61.98835	1.7
78.95901	16.5
82.04218	1.4
91.11971	1.5
113.09708	2.3
117.23534	1.4
129.78540	1.6
152.99629	20.8
153.68300	1.6
154.85188	1.5
170.09752	3.8
171.00659	2.5
171.10201	2.9
183.13959	3.6
195.13896	23.5
227.03345	1.8
245.04430	1.8
277.21765	25.0
287.91208	2.1
295.22815	100.0
449.24857	2.0
523.26807	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82316	2.4
59.01374	5.6
59.35987	2.3
61.98827	4.3
70.91051	2.5
77.67471	3.1
78.95889	31.7
83.15792	2.8
85.87247	2.5
111.00870	4.2
152.99579	41.8
171.10245	36.6
183.48924	3.3
195.14000	4.1
227.03323	4.6
272.28549	3.2
277.21744	59.1
295.22797	98.4
403.00406	3.1
410.35492	2.9
457.01443	3.3
523.26819	100.0
523.33228	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	523.32
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73481	18.1
59.01370	31.8
61.98829	30.1
77.05257	19.9
78.95889	47.0
95.36790	17.0
111.00864	83.0
152.99568	80.3
163.76826	17.8
171.49419	19.8
233.74185	19.5
265.28690	18.7
277.21768	39.2
279.77576	20.6
295.22723	89.5
523.26550	100.0
523.32343	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15735	0.5
59.33434	0.6
61.98837	100.0
62.47279	0.6
62.68109	0.5
65.56818	0.5
73.59608	0.5
75.78396	0.6
80.37051	0.6
87.27207	0.7
96.96001	2.9
99.42089	0.7
162.72105	0.7
268.06741	0.7
361.47656	0.9
370.02271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1405
Annotation	Salcolin B
Peak:m/z	Relative Intensity
51.16019	1.0
58.93573	0.9
59.01384	1.9
59.99726	0.9
61.98831	5.3
69.06039	0.9
72.92525	0.9
77.29155	0.9
78.16679	1.0
78.74274	0.9
93.03412	1.3
111.00858	8.5
121.02946	4.6
122.03702	12.7
146.06078	2.1
147.77101	1.0
149.02444	17.2
150.03229	78.9
151.00385	1.3
161.02420	9.1
164.04865	1.9
165.05573	70.9
180.04265	4.8
180.12531	1.2
195.06606	23.4
203.03523	4.6
225.74081	1.2
226.02794	2.3
227.03494	10.2
229.01369	1.7
242.02045	1.3
243.03029	2.2
270.01736	6.4
271.02560	30.3
285.04028	14.4
299.01981	75.3
299.05356	2.6
300.02512	1.4
311.05753	1.8
313.03583	16.5
314.04379	52.9
328.06039	1.8
329.06705	100.0
330.07065	2.0
419.52216	1.3
477.11975	6.0
525.13721	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	525.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50212	1.0
54.05781	1.1
54.50151	0.9
59.01383	2.0
61.98835	1.6
62.69933	1.3
69.97858	1.1
73.28345	1.1
90.73640	1.2
92.11714	6.3
93.03424	2.1
121.02991	5.1
122.03741	14.7
149.02451	15.3
150.03229	80.5
161.02472	8.1
161.11940	1.4
164.04709	1.9
165.05566	67.1
177.03360	2.1
180.04292	6.6
182.92183	1.2
195.06631	26.0
201.78242	1.4
203.03601	1.9
227.03561	11.6
270.01678	7.2
271.02469	25.0
285.04099	18.3
299.01996	65.8
313.03568	19.2
314.04349	56.9
328.05780	2.3
329.06723	100.0
357.06177	1.6
417.73792	1.6
469.15964	1.3
525.13623	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07006	0.5
58.85719	0.6
59.01374	1.3
61.35987	0.6
73.02946	0.6
76.57279	0.6
88.98778	0.6
101.02390	0.8
116.05070	3.2
118.06610	1.0
119.04971	1.1
121.02983	1.0
128.05048	4.7
131.03758	9.9
132.04536	6.6
144.04539	32.0
146.06111	100.0
147.06496	0.8
158.06078	2.9
160.03981	0.8
162.05603	5.6
170.06136	2.7
172.04039	13.4
173.51807	0.6
186.05756	0.8
190.05087	66.6
214.05035	1.4
232.06145	4.0
247.71225	0.6
292.08215	1.1
334.09308	3.1
369.16730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57758	0.6
59.01378	3.7
61.98824	1.1
63.67769	0.7
64.34275	0.9
71.01354	0.8
87.00871	0.8
88.98792	3.4
115.22132	0.8
116.05062	3.8
119.05007	1.3
121.02953	4.2
128.05046	5.4
131.03755	11.4
132.04546	5.0
144.04559	30.9
146.06131	100.0
147.06377	1.0
158.06177	1.2
158.94717	0.8
161.02466	0.9
162.05611	4.9
170.06091	1.5
171.10223	1.1
172.04057	14.4
190.05118	67.2
206.31447	0.9
232.06264	5.8
262.07141	1.1
292.08215	3.4
327.21725	1.1
334.09232	4.1
411.18405	0.8
465.57230	1.1
495.03619	1.1
522.45789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32704	14.7
59.01384	100.0
61.98839	29.6
70.54171	15.4
78.95875	24.7
86.93539	18.2
92.02097	17.4
95.51900	15.3
96.96014	16.8
105.76748	16.8
108.24361	15.5
116.46410	15.0
144.41406	18.6
225.66733	18.9
278.88849	17.6
282.60089	18.0
361.84946	20.0
525.33417	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25104	6.4
59.01375	13.6
60.06401	5.7
61.98843	10.6
64.90701	7.8
71.01369	8.0
99.08212	9.0
108.60561	7.2
132.35806	9.2
154.83321	9.3
175.11305	7.0
214.98207	7.5
221.16782	7.8
223.80534	6.8
225.15042	32.1
229.20387	7.2
343.24936	85.7
344.31650	8.3
525.27069	9.8
525.33777	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	526.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09429	0.2
54.50822	0.3
59.01396	0.4
61.98840	100.0
70.74389	0.4
83.60386	0.3
84.26981	0.3
95.51991	0.3
96.95993	0.5
144.04630	0.4
146.06155	1.9
151.00476	0.5
160.04054	1.1
162.05585	4.7
187.00110	0.4
188.03632	1.9
190.05234	1.4
197.89464	0.3
206.04732	1.5
209.20345	0.4
235.08006	0.4
256.55969	0.3
301.07391	0.7
331.03171	0.4
397.09500	0.5
398.09811	0.7
463.12851	0.5
508.16180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14276	0.2
54.50378	0.2
59.01384	0.5
59.60255	0.2
60.85935	0.2
61.98836	100.0
63.02404	1.4
65.00333	3.6
65.35901	0.2
71.01382	0.3
74.02496	0.4
80.02690	0.2
83.01379	2.7
88.98786	0.3
95.71819	0.2
107.01381	8.8
108.02158	1.9
112.64765	0.2
118.10241	0.2
119.05018	1.1
123.04499	1.2
124.01656	0.2
125.02457	1.3
133.02945	1.4
134.03723	9.4
135.04520	1.3
136.01636	1.7
137.02448	1.0
144.04587	0.4
145.02998	0.2
146.06117	0.4
149.04883	0.3
149.06078	8.3
149.07144	0.3
151.00359	29.0
152.01157	0.4
160.01709	1.3
160.04030	0.4
161.02422	3.0
162.05582	2.7
163.57286	0.2
164.01132	4.7
165.01936	3.0
169.01416	2.5
174.03200	1.0
175.04001	1.3
177.01952	2.1
188.03468	0.3
190.05099	0.2
196.00110	2.7
199.04083	0.5
201.01996	0.9
202.02705	0.3
206.04585	1.1
215.07076	0.3
217.05321	0.2
241.04836	0.3
242.05804	1.3
251.03394	0.4
257.08182	1.1
282.32645	0.2
285.03958	0.4
286.01901	0.2
286.04822	1.4
301.07184	61.4
302.07541	0.5
313.05673	1.0
316.16620	0.3
343.08234	0.3
365.59412	0.2
463.12503	27.6
464.12625	0.4
466.23532	1.8
487.60941	0.2
490.13205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94515	1.2
59.01388	2.9
59.12326	1.2
71.01368	1.8
92.68094	1.3
99.84454	1.1
101.02664	1.6
114.27509	1.3
132.04581	2.4
144.04550	8.5
146.06119	6.8
147.03252	3.0
148.04050	2.3
160.04057	15.7
162.05615	100.0
188.03539	36.5
190.05070	2.6
206.04633	66.1
230.04716	6.0
248.05650	15.7
255.71341	1.6
278.06815	2.3
287.59958	1.3
308.07791	7.0
526.19421	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40623	0.3
56.94695	0.3
59.01392	0.5
60.99012	0.7
60.99310	15.7
61.98844	0.7
68.99570	1.5
74.98238	0.3
85.02991	0.5
87.00870	0.6
88.98796	100.0
89.02428	2.1
93.03433	2.6
101.02422	0.4
108.02174	3.9
109.02969	1.4
112.98553	1.7
117.03464	1.6
119.05013	32.8
120.05327	0.7
128.03575	0.6
132.05807	0.4
134.03754	0.8
137.02443	3.4
139.39050	0.3
143.04652	0.5
145.02975	5.7
152.01134	2.1
152.78203	0.4
153.01817	0.4
160.04063	0.4
162.05652	0.6
175.04025	0.3
193.05042	1.6
248.17874	0.4
273.16013	0.8
290.18738	6.3
303.08047	0.7
316.16663	5.2
317.16562	0.4
436.22449	18.3
437.22946	0.6
438.22607	1.1
526.19519	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	526.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98851	0.3
71.11998	0.3
76.57415	0.3
76.57859	0.3
83.11972	0.3
86.47394	0.3
90.64703	0.3
91.05531	1.7
99.92581	31.4
100.92686	0.8
100.93353	9.8
109.93393	0.6
115.92071	100.0
116.05051	3.2
116.92073	1.9
116.92844	12.3
117.03461	2.2
117.92496	0.5
118.06625	10.5
125.92947	2.3
126.93583	0.3
132.92332	0.5
141.92410	0.4
163.04030	0.7
188.59161	0.3
245.98523	0.5
246.97076	4.6
250.96426	0.4
272.97388	0.7
355.17694	0.3
380.29599	0.8
434.16370	1.4
478.20572	1.5
480.22064	2.4
481.21902	0.4
496.21689	1.7
508.21680	9.8
509.21567	0.4
522.19647	2.2
526.22687	29.1
527.22876	2.2
539.30994	0.4
554.18494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19467	0.1
54.82462	0.1
56.78512	0.1
57.54863	0.1
58.95780	0.1
59.01387	23.0
61.98828	0.7
66.98405	0.1
68.99566	0.7
75.80378	0.2
78.35860	0.2
78.95901	15.8
85.31758	0.2
92.11752	0.2
96.96954	0.3
112.98583	0.8
122.98521	0.2
124.20161	0.2
136.05270	0.2
152.99576	2.5
168.04326	2.5
224.06964	7.2
227.20186	100.0
228.20531	0.7
242.08044	1.4
377.98520	0.2
452.27890	49.5
453.28394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97607	0.2
54.32766	0.1
55.01886	0.3
57.86552	0.1
59.01392	0.2
61.98821	1.0
67.07616	0.1
71.01372	0.2
73.02943	4.0
78.95910	0.3
84.80996	0.2
87.00867	1.0
89.36780	0.2
96.95992	0.3
99.00862	2.9
99.92579	8.5
109.51599	0.1
116.92854	100.0
117.01932	7.7
117.92871	0.8
119.05013	0.7
132.04556	0.4
133.02948	0.2
134.03725	1.4
135.04620	0.2
144.04630	0.2
146.06128	0.4
149.06067	0.9
162.05626	0.3
165.07964	0.2
176.03506	2.4
190.05096	0.6
200.44061	0.2
226.34393	0.2
254.64825	0.2
274.09558	0.7
289.12091	0.4
350.08691	0.2
409.17639	0.4
439.18851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42956	0.7
55.01883	1.5
56.83169	0.8
57.03456	3.9
59.01113	1.3
59.01386	19.5
61.98806	1.1
64.73452	0.9
67.63966	0.8
71.01385	19.8
72.99303	5.2
73.02931	1.3
75.00866	17.8
75.87417	0.9
76.06884	0.9
78.95901	1.2
82.91299	0.9
83.01378	1.1
85.02946	25.5
87.00882	7.9
89.02434	9.8
95.01371	6.0
99.00855	12.6
103.00375	2.2
113.01704	1.8
113.02444	28.8
115.00368	1.6
116.92886	1.5
117.01903	3.3
126.83762	0.9
129.01923	1.5
175.02451	1.9
205.07239	1.0
249.06163	6.2
267.07281	4.7
277.21725	66.6
278.22278	1.7
445.23663	1.8
509.27942	2.0
527.28674	100.0
528.28790	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	527.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57959	10.1
58.73598	12.0
61.60077	12.0
73.36658	12.1
84.56683	14.5
92.60698	12.7
116.92858	100.0
125.95386	11.7
130.45290	14.1
164.21956	12.3
204.35602	12.7
220.94037	14.1
277.25067	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	527.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56126	0.3
59.01382	2.1
60.99318	0.3
61.98842	0.4
71.01360	0.3
72.99299	2.6
75.00867	100.0
75.72789	0.3
76.98589	0.3
78.42873	0.4
83.05134	0.3
88.98798	5.2
101.02397	0.3
119.05021	2.2
145.03145	0.4
160.06868	0.4
232.58667	0.4
232.67847	0.4
436.22162	0.4
437.22903	0.5
451.32935	1.4
467.32761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
71.52676	0.2
78.95901	7.5
79.95734	1.5
80.83649	0.2
81.39629	0.2
89.02487	0.3
93.03462	0.4
96.96001	100.0
96.96900	10.1
107.09956	0.2
112.95090	0.2
113.58431	0.2
114.25393	0.2
137.02434	1.2
188.09305	0.3
281.85443	0.2
431.12689	0.3
510.00296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62554	1.5
56.66023	1.5
57.06941	1.2
57.43186	1.8
58.81412	1.4
59.01384	16.0
71.01392	12.8
72.99300	1.9
78.95880	7.5
84.07162	1.6
85.02925	3.8
87.00870	2.1
87.22462	1.6
89.02468	12.6
96.96002	100.0
96.96921	13.7
101.02419	9.0
111.00816	2.1
113.02430	3.9
116.92841	9.6
119.03480	3.2
125.02408	2.2
131.03450	2.1
131.89140	1.6
138.45227	1.9
139.00369	2.4
152.01122	2.2
154.02654	2.3
179.05510	1.6
221.06506	1.8
296.80902	1.9
323.09717	11.3
325.07135	1.7
379.77014	1.8
459.50323	1.9
493.15796	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74446	2.5
59.01386	6.7
61.98824	11.8
71.01395	5.2
73.02949	3.3
73.74184	2.8
78.35123	3.0
92.11643	2.7
101.02413	6.6
116.92881	7.1
117.40041	3.1
119.05025	6.8
122.72208	3.5
128.05023	4.9
130.06607	86.9
140.88705	2.8
141.68181	3.1
146.06133	16.7
154.50171	2.8
156.04541	12.4
161.04567	23.5
162.05629	3.0
166.23399	3.2
167.11528	2.8
171.10287	4.6
174.05586	100.0
211.13440	6.4
229.14476	5.5
318.09818	31.1
329.23322	46.5
330.23535	6.1
451.04343	3.7
460.89761	4.0
467.50540	3.1
491.28125	7.3
492.28409	4.8
493.05768	3.4
493.16217	5.3
529.35645	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	529.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62347	0.5
59.01386	14.9
61.98801	0.6
71.01386	9.9
72.99290	0.7
73.02954	1.0
78.83181	0.6
81.27277	0.7
85.02956	0.9
88.31810	0.6
89.02450	5.1
92.14020	0.6
101.02441	3.1
107.05019	1.2
113.02437	3.0
116.43798	0.6
117.03445	0.6
119.01402	0.7
119.03487	0.7
119.05004	0.7
119.05850	0.6
121.02919	5.3
127.86922	0.7
134.03745	6.0
135.04530	7.5
147.04518	4.9
149.02444	53.7
152.01135	1.6
161.23578	0.7
162.03290	0.7
163.02711	1.3
163.04004	20.9
164.04796	49.0
165.05582	7.8
166.02692	2.6
173.02406	4.0
175.00368	4.4
176.01108	1.4
177.01912	3.0
177.05592	9.1
178.06323	3.4
179.03476	4.2
179.07129	8.8
181.05026	1.1
183.06691	0.8
188.04784	3.1
190.02708	22.2
191.03516	23.8
192.04277	1.3
192.07941	0.8
193.01410	3.0
193.05086	5.7
203.07095	2.9
204.04254	1.5
205.05063	22.3
206.05859	42.4
207.03003	17.8
207.06435	0.7
208.03769	11.7
221.08218	44.7
222.05334	4.0
223.06139	66.4
224.06616	0.8
235.02438	7.5
237.07709	17.1
247.06093	0.9
250.04816	17.3
265.07190	100.0
266.07571	1.1
289.94565	0.7
295.08221	15.6
323.13431	17.3
325.09357	15.7
367.10605	1.0
385.11630	1.4
428.84360	0.7
529.19293	76.2
530.19690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84673	1.0
55.01897	1.2
55.65713	1.1
56.10392	0.9
59.01387	18.6
59.56330	1.0
61.98837	2.9
70.22366	1.2
71.01382	13.0
88.98790	7.8
89.02444	6.4
93.03484	1.3
95.09094	1.4
96.96001	2.1
97.17646	1.2
99.00859	1.6
101.02441	5.0
107.05013	1.9
113.02477	4.4
119.03490	1.6
119.04960	2.0
121.02927	4.7
134.03746	5.5
135.04491	5.7
147.04491	1.3
149.02440	57.2
152.01183	1.3
155.41603	1.2
161.04631	1.5
162.05585	4.6
163.04007	18.9
163.18248	1.4
164.04791	53.5
165.05542	7.6
167.60374	1.3
173.02399	1.7
175.00375	7.8
175.04085	1.5
176.01216	2.5
177.05510	8.5
178.02708	1.5
178.06451	2.2
179.03319	1.4
179.07080	10.4
181.05217	1.3
188.04857	1.9
190.02728	39.2
191.03500	23.2
193.01357	2.2
193.05054	5.0
203.07161	2.8
204.04309	1.3
205.05078	31.3
206.05869	42.5
207.02988	15.4
208.03885	9.1
221.08223	43.3
222.05507	1.9
223.06128	70.2
223.08264	2.6
235.02504	5.9
237.07732	16.5
250.04872	15.5
265.07184	100.0
266.07629	1.2
295.08240	12.9
323.13562	18.4
325.09238	16.4
427.12701	1.5
529.19293	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68943	1.4
57.03448	2.2
59.01396	100.0
61.98842	4.1
71.01394	34.6
72.99331	2.4
73.02943	18.7
82.18474	1.4
83.01392	9.3
83.05032	2.2
85.02968	8.6
87.00881	2.4
89.02457	18.5
89.43687	1.7
92.65331	2.0
95.01434	2.1
96.96031	1.8
99.00877	1.8
101.02441	27.9
113.02476	12.9
119.03500	7.7
122.02467	9.0
132.04535	2.3
133.02927	2.5
138.05608	11.3
144.04527	6.7
146.06105	6.6
160.04059	15.7
160.05205	2.4
161.02512	1.9
161.04659	7.7
162.05617	31.3
175.03957	2.4
179.05548	2.2
188.03548	18.2
190.05280	2.6
194.04549	11.3
206.04721	15.0
221.81604	2.0
237.15073	2.6
248.05653	2.0
263.12900	1.8
316.65692	1.7
329.14261	2.4
379.08563	2.1
399.20255	8.9
422.89661	2.0
485.20291	51.6
513.10645	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70527	0.1
52.91343	0.1
54.53619	0.1
57.03444	0.1
59.01382	0.6
61.98833	100.0
71.01377	0.2
72.99307	0.1
79.12994	0.1
92.11665	0.2
96.96024	0.1
101.02423	0.1
105.25512	0.1
105.79649	0.1
119.05034	0.3
134.03743	0.1
135.04533	0.1
145.02968	0.2
149.02454	0.1
151.00423	0.5
152.01154	0.2
160.04092	0.2
161.02451	0.2
162.05653	0.6
164.04823	0.1
170.86470	0.1
179.07135	0.1
188.03590	0.1
190.02895	0.1
194.88008	0.1
206.04675	0.1
223.06271	0.1
263.13089	0.2
265.05112	0.1
267.06760	0.1
267.12833	0.1
279.00708	0.1
284.31189	0.1
331.08237	1.2
356.61569	0.1
402.22684	0.1
422.14960	0.1
437.17157	0.8
466.23639	0.3
493.14011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48927	0.2
57.18038	0.2
59.01373	0.4
78.95482	0.3
78.95908	5.3
86.29756	0.2
93.26252	0.2
94.17630	0.2
95.01990	0.2
99.61194	0.2
110.98529	4.9
116.35565	0.2
144.76920	0.3
152.99541	0.3
167.01114	2.5
170.85039	0.3
185.02203	3.2
185.80598	0.2
188.99232	0.2
279.23297	100.0
280.23648	1.6
390.33881	0.3
406.10806	0.3
447.25211	26.1
448.25934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09383	0.3
54.82563	0.3
59.01388	3.3
61.98824	0.6
64.09132	0.3
71.01357	1.8
72.99279	0.3
74.16565	0.3
75.00848	0.7
78.95898	13.6
79.95718	0.7
85.02917	2.0
87.00861	0.7
88.12926	0.3
89.02397	0.5
96.95422	0.5
96.95996	8.9
99.00845	1.6
103.92671	0.3
105.68517	0.3
110.98523	10.7
113.02431	2.2
116.92844	1.2
122.59245	0.3
137.00076	0.4
139.38010	0.3
152.99542	0.3
161.21880	0.3
167.01141	9.4
185.02208	2.7
248.50839	0.3
249.06342	0.4
255.23274	0.4
267.07169	0.3
277.17426	0.3
279.23288	100.0
280.23611	0.5
318.42065	0.3
447.25189	43.1
448.25491	0.4
529.30493	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	529.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34248	0.4
51.11581	0.4
55.01884	1.3
57.03451	3.6
59.01111	0.8
59.01387	19.7
67.01880	0.7
71.01383	21.6
72.99306	5.0
73.02950	1.3
75.00867	15.8
78.95892	3.1
83.01369	0.6
83.46574	0.5
85.02948	25.1
87.00864	9.6
87.30509	0.5
88.62303	0.5
89.02454	7.5
91.04017	0.6
95.00876	0.6
95.01366	5.5
99.00873	8.5
99.02287	0.6
103.00346	1.2
110.98521	2.9
113.02446	25.9
115.00371	1.2
117.01937	3.1
117.17061	0.5
122.56043	0.6
129.01918	1.1
142.19942	0.5
167.01147	3.2
172.82219	0.6
175.02480	2.9
180.29424	0.6
193.37717	0.6
205.07178	1.1
231.05286	0.6
249.06088	4.4
267.07217	5.1
279.23300	98.9
280.23685	0.7
320.18161	0.6
344.07321	0.6
447.25211	9.0
496.98553	0.7
511.29370	0.8
529.30267	100.0
530.30487	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	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32262	0.2
55.01886	0.6
57.03447	3.1
59.01383	14.2
65.02548	0.3
67.01881	0.5
68.69758	0.3
68.99812	1.7
69.03444	0.4
71.01378	15.8
72.99303	6.3
73.02931	0.8
75.00455	0.7
75.00867	17.4
78.95904	1.3
81.03423	0.4
83.01373	0.7
84.02142	0.5
85.02945	18.8
87.00867	7.0
89.02446	4.2
93.03454	0.5
94.81114	0.3
95.01379	3.9
96.95978	1.3
99.00868	9.6
103.00352	1.8
111.00876	0.7
113.02444	18.2
115.00342	1.9
115.02153	0.4
116.92879	0.3
117.01923	3.1
129.01939	1.2
149.04588	0.3
167.01117	0.5
175.02466	2.2
205.07158	0.4
225.23413	0.3
231.05084	1.9
249.06154	13.6
255.23375	1.3
267.07159	1.7
279.23294	100.0
280.23718	1.2
347.55109	0.4
425.71146	0.3
447.25211	2.0
469.28021	0.5
491.96875	0.3
511.29202	3.5
529.30225	96.0
530.30420	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3535
Annotation	Phyllofenone C
Peak:m/z	Relative Intensity
51.92272	0.3
57.03449	0.5
57.97559	0.4
59.01385	100.0
60.01703	0.3
61.98836	0.7
64.29372	0.3
65.32141	0.3
65.83775	0.3
71.01387	0.4
75.00856	0.3
78.95923	0.5
85.02953	0.7
113.02459	0.8
116.14071	0.3
120.33600	0.3
134.89453	2.7
135.89522	0.4
165.57892	0.3
249.06285	0.4
255.23463	0.7
279.23358	4.4
284.72241	0.4
295.48697	0.3
334.88861	0.3
383.29700	0.7
393.28116	1.4
407.29700	1.6
425.30786	1.8
451.32022	2.2
469.33295	15.7
469.39810	0.6
470.34076	0.6
475.69385	0.4
480.30902	0.5
529.29901	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	529.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
61.98840	0.9
75.38285	0.6
99.92558	1.7
103.00335	1.6
109.95957	0.8
115.92042	3.0
116.92065	1.8
116.92836	1.5
117.91911	1.8
130.08687	3.5
136.43272	1.0
137.79997	0.8
140.00458	0.8
170.68539	0.8
185.16531	5.2
199.17097	0.9
200.85878	0.8
205.06464	0.9
211.13565	0.9
253.21739	100.0
266.72705	1.0
279.23608	1.0
320.92551	1.1
407.28122	0.9
491.38464	4.5
516.34070	0.9
529.23254	1.3
529.42401	45.8
529.50323	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4239
Annotation	Lignocerylferulate
Peak:m/z	Relative Intensity
59.01364	0.2
59.51081	0.2
65.56128	0.2
66.32819	0.2
90.64808	0.2
92.12426	0.3
101.98811	0.3
116.92863	0.6
168.02031	0.3
253.21742	100.0
254.22061	1.3
279.23318	0.5
529.42419	48.0
530.42590	1.3
548.66248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72232	0.4
59.01376	2.4
61.98838	3.6
69.41467	0.4
71.01376	2.2
76.64060	0.5
87.65109	0.4
100.15677	0.5
101.02449	0.9
101.66837	0.5
107.05009	0.7
109.02996	0.5
113.02437	0.6
119.05011	1.9
120.04530	2.0
132.04680	0.6
133.02953	21.3
134.03743	0.8
134.06091	2.9
135.04517	12.0
136.01697	0.5
144.04559	2.6
147.03291	3.8
147.04286	0.5
149.06068	0.7
151.03996	2.0
160.04028	17.6
161.02446	70.0
162.01944	2.3
162.05611	100.0
162.99667	0.5
163.04063	0.7
163.05937	0.7
177.05513	1.0
178.05089	0.7
179.03511	6.7
188.03540	9.6
206.04607	46.4
213.40334	0.6
221.04582	2.3
299.02121	0.5
315.04309	0.6
323.07776	13.3
330.07080	1.8
368.09863	14.6
492.12427	1.1
494.22992	1.7
530.13129	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60932	0.5
59.01378	4.2
61.98815	2.5
71.01373	2.0
85.02937	0.7
85.56604	0.5
85.94417	0.4
92.11779	0.8
92.12289	1.0
96.95983	0.8
97.02931	0.5
101.02426	1.1
113.02431	0.9
119.05021	2.4
120.04530	0.9
121.02940	0.5
125.02389	0.7
129.44295	0.5
133.02948	25.1
134.03719	1.0
134.06105	2.4
135.04514	14.6
136.55411	0.6
144.04558	3.4
145.02982	1.2
146.06110	0.8
147.03223	4.4
149.06099	0.7
160.04025	14.1
161.02438	70.5
162.01952	3.0
162.05600	100.0
163.04219	0.5
163.05841	0.9
175.03983	0.9
177.05537	2.5
178.05174	0.5
179.03511	8.6
188.03534	9.2
205.04922	0.6
206.04591	46.6
207.04817	0.8
221.04533	2.2
307.08057	0.7
323.07736	15.8
368.09900	16.3
512.93958	0.6
530.13110	39.7
531.13617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24811	0.6
59.01379	1.5
61.98837	3.4
71.01388	1.5
79.18259	0.6
87.00900	1.2
88.98799	1.6
89.02448	0.8
96.95981	0.8
105.08875	0.7
108.93334	0.7
115.09543	0.8
119.05008	3.8
132.04491	3.3
132.11479	0.7
134.06131	1.5
137.02492	0.9
144.04552	8.2
147.03221	3.6
148.04028	1.4
160.04031	26.2
161.04417	0.9
162.05602	100.0
163.05922	1.2
178.05086	3.3
186.05522	1.1
188.03535	40.3
206.04601	52.1
229.16725	0.8
230.04573	3.3
248.05681	14.6
278.06711	3.6
308.07776	6.0
438.13821	1.4
492.27246	1.6
530.13385	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46163	0.1
53.96022	0.2
59.01370	0.3
61.98833	0.2
62.11882	0.2
64.34563	0.2
65.83668	0.2
71.01369	0.2
85.02961	0.2
96.96023	0.3
101.02444	0.4
110.14499	0.2
118.02937	0.2
119.05044	1.5
120.04531	1.4
132.04526	0.9
134.06128	2.3
144.04530	3.3
147.03276	5.7
148.04018	0.7
148.86342	0.2
152.19987	0.2
160.04033	13.4
161.04741	0.2
162.05600	100.0
176.03568	0.3
178.05110	0.4
188.00925	0.2
188.03528	11.8
206.04591	52.1
216.98039	0.2
248.05655	2.0
260.11374	0.2
278.06693	1.1
308.07874	3.0
368.09796	1.1
410.10989	1.7
530.15186	25.6
531.14905	0.2
543.57648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05083	0.3
57.99348	0.2
59.01394	1.1
59.80718	0.3
60.82003	0.3
61.98807	0.3
64.37072	0.3
71.01385	0.7
73.56574	0.4
85.22369	0.3
89.02431	0.8
95.01374	0.3
101.02489	0.4
102.17476	0.4
105.84898	0.3
113.02427	0.5
119.05022	1.5
119.32368	0.3
120.04559	1.4
132.04532	1.9
134.06123	2.1
144.04553	3.7
147.03288	5.5
158.10942	0.3
159.03197	0.3
159.82158	0.3
160.04039	16.0
161.04739	0.4
162.05606	100.0
163.05943	0.4
176.03534	0.5
178.05098	0.8
188.02200	0.4
188.03531	16.6
206.04605	50.7
208.94250	0.3
230.04533	0.6
248.05620	2.5
278.06735	0.5
308.07791	0.7
320.29980	0.4
350.08685	0.6
368.10074	0.4
397.30112	0.4
511.23444	0.4
530.15210	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.7
61.05518	0.3
61.41583	0.3
61.98818	1.8
71.01375	5.2
85.02924	1.6
85.75543	0.4
87.00880	0.5
89.02444	5.0
89.27633	0.3
96.95973	0.8
101.02404	2.2
113.02409	0.7
113.19588	0.4
119.03490	0.6
119.05001	1.7
120.04559	0.6
130.06699	0.4
132.04535	4.1
134.06088	1.4
144.04539	9.0
147.03239	4.5
148.04080	0.6
155.81227	0.4
160.04028	31.5
161.04651	0.6
162.05594	100.0
174.05524	1.5
176.03473	0.6
176.07204	0.7
178.05037	3.2
186.05577	1.7
188.03529	39.0
190.05215	0.4
202.05191	1.4
204.06728	0.5
206.04594	48.0
230.04616	3.3
248.05560	8.0
278.06693	2.4
290.06628	1.3
308.07703	4.8
350.09012	3.2
368.09909	0.5
410.10779	0.4
530.15186	58.2
531.15588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61566	0.2
54.82696	0.2
60.03302	0.2
61.98830	0.9
62.38250	0.2
64.34567	0.2
64.71526	0.2
78.08567	0.2
78.95901	16.5
86.65550	0.2
96.96007	0.2
110.98531	0.3
128.49037	0.2
152.99596	3.1
168.04320	3.2
224.06949	7.6
242.08055	1.5
255.23318	100.0
256.23624	1.3
266.11279	0.2
279.23410	1.0
280.23657	1.6
448.25507	0.3
480.31003	55.1
481.31128	0.3
530.31219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28671	0.2
59.01377	0.8
67.03261	0.2
69.03456	0.3
71.01395	1.5
75.00866	1.0
75.75406	0.2
78.95480	0.3
78.95898	4.3
83.01408	0.3
85.02937	1.7
87.00889	0.3
89.02422	0.3
92.12379	0.3
95.01385	0.8
96.96012	0.2
99.00877	0.8
113.02445	1.9
114.02793	0.3
152.99561	0.7
168.04298	1.1
195.20030	0.2
196.83992	0.2
224.06975	0.8
231.26442	0.2
242.07990	1.7
242.34200	0.3
249.06198	1.4
255.23325	100.0
256.23679	1.3
279.23245	4.0
280.23633	4.5
327.09222	0.2
391.64059	0.2
442.51038	0.2
480.30997	32.5
481.31302	0.9
482.30365	0.3
529.30182	1.1
530.30548	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	531.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73594	0.1
57.17270	0.1
59.01386	1.1
61.98836	100.0
71.01379	0.5
71.60027	0.1
72.01744	0.1
76.12279	0.1
85.02957	0.3
89.02425	1.0
90.02750	0.2
96.96001	0.6
101.02464	0.2
107.11504	0.1
107.18143	0.1
113.02452	0.2
116.05112	0.2
124.25264	0.1
125.02454	0.3
130.06621	1.0
131.06982	0.7
143.03519	0.2
144.04594	0.3
146.06139	1.0
147.06499	0.2
149.04582	0.2
160.24928	0.2
161.04614	0.6
162.05624	0.2
172.04082	0.6
174.05627	0.7
175.06044	0.6
188.66840	0.1
190.05183	0.7
191.05475	0.2
293.09000	0.2
297.03616	0.2
312.10599	0.2
313.10449	0.3
453.16437	0.2
470.16913	0.6
471.16949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.3
70.83981	0.4
71.01382	5.7
72.77783	0.4
73.02930	0.5
77.91212	0.4
80.79108	0.4
81.92470	0.4
83.04228	0.4
85.02925	1.1
88.08620	0.4
89.02424	1.6
91.04956	0.4
93.03447	0.8
96.95985	0.7
101.02413	1.9
106.04202	0.6
111.00877	0.8
113.02399	0.4
117.03446	0.5
121.02908	1.9
122.02428	0.6
125.02381	0.8
132.02165	11.4
133.02959	4.3
134.03723	71.6
135.04526	2.1
136.03983	0.5
137.02438	12.3
139.04007	4.4
141.60953	0.4
144.04553	0.4
147.04601	0.5
148.05296	4.3
149.02420	2.2
149.06073	22.9
150.03160	1.6
150.80971	0.5
160.01653	44.2
161.02438	4.0
162.05656	0.6
163.03918	0.6
163.06084	0.6
163.07646	1.8
164.04770	0.7
175.03992	35.7
177.05577	0.6
178.02707	47.1
179.03415	1.1
187.07693	0.5
190.02724	0.5
192.04266	2.1
193.05057	100.0
194.05443	0.7
196.06180	0.6
205.05081	0.6
207.06425	2.1
211.13370	0.5
223.06151	0.8
224.06592	0.5
246.11484	0.7
265.07333	2.6
266.07510	0.6
291.09113	0.9
293.07068	0.8
313.09576	0.6
323.07739	3.5
323.92023	0.5
325.09515	0.5
327.11423	0.5
337.09317	31.4
341.09183	1.1
341.13293	0.5
346.37021	0.6
355.10526	0.5
411.13104	0.8
429.14624	1.0
440.64777	0.5
471.15546	12.5
474.16095	0.5
480.99887	0.5
531.14917	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	531.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.8
61.98541	0.9
61.98838	17.4
64.34283	0.5
71.01378	2.2
73.00570	0.4
74.03371	0.5
117.03463	1.0
121.02894	0.5
132.02162	23.6
133.02922	1.2
134.03729	27.8
135.04501	1.0
137.02420	0.7
147.04510	1.9
148.05302	0.6
149.06061	5.7
160.01653	100.0
161.02347	2.1
174.03188	1.0
175.03993	87.2
176.04762	4.2
177.01848	0.5
178.02773	3.6
191.07080	4.5
193.05054	22.1
202.02802	1.1
207.06683	0.9
217.05093	3.6
235.06068	7.2
264.45477	0.6
265.07108	4.3
277.07001	0.6
295.08350	3.8
332.61542	0.6
337.09314	21.2
338.20190	0.5
449.92017	0.6
531.15179	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	531.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98391	0.4
55.01873	1.1
57.03450	6.2
59.01103	1.0
59.01384	15.0
61.98832	5.5
69.03448	0.6
71.01374	22.5
72.98923	0.5
72.99291	4.4
73.02918	2.5
73.43847	0.5
75.00448	1.2
75.00866	24.0
80.12705	0.6
83.01381	3.1
84.02148	0.7
85.02943	27.2
87.00861	10.4
89.02435	3.8
93.03462	1.3
95.01366	3.0
96.96019	1.4
97.02926	1.1
99.00872	7.2
101.02425	5.4
101.06078	3.9
106.86965	0.6
108.02177	9.7
109.02930	2.5
113.02442	20.3
115.00340	3.2
116.92865	0.7
117.01891	1.2
119.04998	2.4
121.02943	54.8
122.03294	0.6
125.02458	0.6
133.02930	1.0
134.02432	0.6
134.03745	3.7
135.04532	2.2
137.02408	0.8
142.50560	0.6
144.04547	0.7
145.02959	2.6
146.03275	0.9
147.03345	1.2
147.04515	27.3
149.06081	0.8
152.01152	20.7
153.01849	1.0
160.01778	0.9
160.04079	4.4
161.02428	4.1
161.04501	3.3
161.06110	9.7
162.01898	4.5
162.05576	4.5
163.02330	1.1
163.04008	2.8
163.05965	0.8
173.04585	0.5
175.02457	2.5
175.03975	0.8
188.03479	0.8
189.05554	2.1
206.04607	2.9
207.04990	1.0
222.04097	0.6
246.89243	0.5
271.81461	0.6
323.09897	5.3
333.20908	0.6
386.19434	0.6
429.10504	1.0
471.15176	5.3
496.24591	1.3
531.17285	100.0
532.17761	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	531.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43505	0.1
53.28379	0.1
55.01905	0.2
55.12505	0.1
59.01366	0.2
64.02037	0.1
71.01411	0.1
73.02951	55.3
85.28673	0.1
89.99359	0.1
92.11768	0.2
96.95981	0.2
99.00877	7.5
99.92569	0.7
102.05663	0.1
107.85044	0.1
108.97649	0.1
116.92854	13.4
117.01932	100.0
118.02264	0.2
120.04666	0.2
155.39055	0.1
155.65189	0.2
191.58389	0.2
241.95651	0.2
279.10742	0.2
437.49649	0.2
531.20758	0.5
558.80945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83166	0.9
57.03455	100.0
58.00584	1.1
59.01384	81.5
61.98835	10.4
62.87929	1.0
69.03448	1.6
71.01377	36.7
72.99300	1.9
73.02937	41.2
75.00868	7.9
79.05511	2.4
81.03459	2.7
83.01385	11.7
85.02956	9.2
87.00842	1.3
88.98791	8.0
89.02441	18.9
92.12296	1.4
93.03458	5.6
95.01383	2.4
96.95994	1.8
97.06551	1.9
99.04506	69.7
100.13371	1.2
101.02431	54.8
108.02188	1.5
109.06596	1.8
113.02444	18.7
113.06069	9.2
119.03455	8.7
119.05032	2.0
123.04500	27.5
123.05300	2.0
125.02435	32.1
131.03514	2.3
134.03709	2.4
135.04414	1.0
137.02428	6.5
141.05583	5.2
142.64755	1.2
143.03484	8.2
147.04556	2.3
149.01202	2.7
149.02419	1.1
149.04541	5.6
149.06154	1.2
153.05562	5.7
160.01685	1.9
160.04024	1.1
161.02419	4.3
161.04567	16.7
162.05510	8.6
163.04070	1.3
164.04797	2.2
179.05614	2.7
193.05074	2.4
195.83385	1.1
206.04594	2.6
221.06644	5.8
223.06190	4.3
279.67719	1.1
334.93442	1.2
409.22025	1.2
441.17511	4.5
477.17285	1.2
487.25507	5.1
492.27109	4.9
493.27344	10.4
531.24646	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	531.273
Annotation	Hanburin
Peak:m/z	Relative Intensity
54.82652	0.3
59.01384	0.5
61.98837	0.5
62.96411	0.5
64.34509	0.3
73.92599	0.3
76.97950	0.3
78.95901	100.0
85.41469	0.3
95.96172	0.7
96.96953	31.0
103.63010	0.3
109.97745	0.4
111.56712	0.3
111.95673	1.8
113.02382	0.4
114.39054	0.4
116.92841	0.3
120.96968	4.6
138.98021	9.4
138.99019	0.5
151.19882	0.3
151.21127	0.4
241.01183	8.8
259.02213	0.6
369.22052	7.8
411.23038	5.8
464.69952	0.4
513.26044	6.4
531.27338	40.3
532.27612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02161	0.2
55.01876	0.6
57.03454	2.2
59.01388	11.6
59.53256	0.2
61.98829	1.3
63.25138	0.2
64.60004	0.2
67.01884	0.4
69.03463	0.4
71.01381	11.9
72.99305	3.2
73.02935	0.6
75.00874	10.1
76.53069	0.3
78.95905	5.0
81.03400	0.3
81.53299	0.2
83.01368	0.6
85.02947	14.9
85.64580	0.2
87.00874	5.1
89.02441	4.7
90.13610	0.3
90.52362	0.3
91.16798	0.2
95.01394	3.2
99.00878	7.6
101.02410	0.4
103.00356	1.7
105.27425	0.3
110.98534	4.7
113.02451	16.0
115.00372	0.7
117.01931	1.5
129.01932	0.6
137.67738	0.3
167.01143	3.4
167.39182	0.3
174.97606	0.3
175.02489	1.6
185.02199	0.7
205.07162	0.7
223.08315	0.4
231.05179	0.4
249.06116	3.0
249.92635	0.3
267.07257	3.1
272.59494	0.3
280.54340	0.3
281.24878	100.0
282.25162	2.5
370.69418	0.3
377.96851	0.3
402.03757	0.3
449.26797	17.9
450.26700	0.5
513.30780	1.2
531.31830	65.1
532.32556	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	531.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07183	0.3
55.01868	0.5
56.75864	0.3
57.03441	2.0
58.29667	0.3
59.01112	0.4
59.01385	9.9
61.98832	0.4
63.91756	0.3
68.11224	0.3
68.99822	0.4
69.03455	0.4
71.01380	9.3
72.99300	3.0
73.02924	0.4
75.00871	10.8
78.95908	4.2
83.01384	0.6
85.02474	0.5
85.02949	9.9
87.00863	3.6
89.02429	2.7
95.01395	2.6
99.00864	4.4
100.67353	0.5
103.00377	0.4
110.98540	3.2
111.16454	0.3
113.01714	0.5
113.02448	10.2
115.00365	0.5
116.92873	0.6
116.97250	0.3
117.01936	1.4
129.01918	0.5
152.99611	0.4
167.01147	2.2
175.02548	0.9
185.02188	0.6
201.33101	0.4
231.05159	0.8
249.06187	7.7
267.07098	0.6
281.24866	100.0
282.25162	0.8
311.22327	1.8
335.76627	0.4
449.26752	16.2
476.30402	0.4
495.32684	0.5
513.30621	1.7
531.31799	62.3
532.32135	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	531.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.5
63.21036	1.0
67.21173	1.0
81.50665	1.0
97.69445	1.1
107.05024	4.4
114.39289	1.2
116.92865	1.4
117.43809	1.0
122.03735	8.4
135.04512	100.0
149.09624	1.4
161.74898	1.0
163.07655	2.1
163.11282	74.8
164.08455	4.2
165.09294	1.2
176.16769	1.0
177.09204	67.6
178.09979	14.6
179.10783	18.6
191.10786	24.2
205.80173	1.1
213.21062	1.1
298.15805	25.7
311.16458	18.6
340.20435	11.3
353.21313	4.4
354.22018	18.7
355.22809	27.3
426.50897	1.2
474.27777	96.9
475.28082	5.3
516.32416	28.3
531.34845	6.1
542.80719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98838	1.2
68.94510	0.3
78.95905	8.9
78.96329	0.6
79.92887	0.3
79.95787	0.4
82.90026	0.3
82.95411	2.2
85.50539	0.3
96.96001	27.0
110.70878	0.3
152.98352	0.7
152.99577	15.2
178.90535	0.3
194.90001	6.0
194.91547	0.4
206.50111	0.3
254.22156	0.4
279.23300	2.1
385.31119	1.1
395.29758	0.4
397.78241	0.3
409.31448	0.4
427.32532	0.6
433.23599	3.0
434.24722	0.5
453.34027	0.7
471.34824	9.9
471.41058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45014	0.4
59.01384	100.0
61.98827	1.0
68.99571	0.6
71.50885	0.4
78.95881	0.9
84.95141	0.8
92.64715	0.5
100.73016	0.5
112.98543	0.6
116.92815	0.7
117.15610	0.6
238.44206	0.6
268.11255	0.6
279.23190	0.8
281.24872	5.2
311.43063	0.6
449.26685	2.1
471.34998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49086	0.1
51.27763	0.2
51.67369	0.1
59.01390	1.0
61.98833	100.0
76.57282	0.2
78.95894	3.2
82.95426	2.0
83.28085	0.2
92.97276	0.2
96.95988	3.3
96.96450	0.2
110.98537	0.4
152.99570	2.3
161.13448	0.2
167.01181	0.4
185.02245	0.7
193.95979	0.2
194.89987	1.5
196.89474	0.2
255.23393	0.5
281.24866	8.8
282.25211	19.2
283.25638	0.2
314.86420	0.2
314.89975	0.2
435.25403	1.2
449.27097	1.0
450.27145	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	533.1308
Annotation	6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
56.96131	0.2
57.03447	1.1
59.01391	3.1
61.98837	2.5
71.01388	2.4
73.02945	1.4
75.00852	0.4
83.01401	0.5
85.02969	0.3
89.02402	0.4
91.94161	0.2
93.03457	2.1
95.01359	0.3
101.02424	1.5
108.02159	1.5
113.02479	0.4
117.03456	6.4
119.05019	2.1
121.02895	0.3
123.04530	1.4
131.04997	0.3
133.02956	0.4
133.06628	0.3
134.03731	0.5
135.04536	2.8
137.02454	1.1
143.05029	0.3
144.74858	0.3
145.02971	0.5
147.04526	1.6
148.33656	0.3
149.02452	1.3
149.06078	0.5
151.03987	0.5
159.04547	1.1
160.01671	1.2
160.04030	1.2
161.02444	4.2
161.06104	0.3
162.01936	0.4
162.03206	0.4
162.05592	3.2
163.04022	2.2
167.03548	0.2
173.05966	0.4
175.03983	3.6
177.01938	1.1
177.05608	2.3
179.03528	1.3
187.03960	0.3
188.03532	1.3
189.01973	1.0
189.05554	0.6
190.02650	0.4
191.03557	2.0
193.05058	0.7
197.06041	0.4
199.03999	0.3
203.03505	1.7
205.05032	0.6
206.04553	2.3
209.04500	0.4
215.03574	0.3
217.05072	0.6
221.04570	1.3
223.07869	0.3
224.08435	0.5
231.03125	0.3
233.04573	0.6
237.05620	0.3
238.06303	0.5
245.04492	0.4
253.08679	0.6
267.06595	1.3
268.07468	1.2
268.80075	0.3
281.04556	2.6
282.05307	2.9
283.06116	6.6
293.04663	0.5
293.08359	0.3
294.05435	0.5
295.06146	8.3
296.06903	2.8
297.07706	23.2
307.06204	3.1
309.07703	3.3
311.05634	5.1
314.04230	0.5
319.06253	0.4
322.05142	0.3
323.05630	6.5
323.09073	0.4
324.06253	0.5
325.07214	9.4
328.05893	5.6
335.05731	2.1
337.07120	4.9
340.05862	0.5
341.06793	1.3
351.05051	1.1
353.06708	36.9
354.07217	0.6
355.08353	1.9
356.05438	1.6
365.06665	8.0
367.08533	0.5
377.06647	0.6
379.08456	0.4
381.06204	0.4
383.07773	33.4
384.07986	0.4
389.06506	0.4
389.18256	1.1
395.07724	3.7
397.09384	0.6
407.07703	1.7
413.08762	5.1
425.08896	3.5
437.08603	0.3
443.09854	12.1
455.10083	1.5
473.10995	6.6
515.11737	2.0
533.13092	100.0
534.13770	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	533.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82676	0.3
57.03452	4.5
59.01371	0.5
62.94547	0.2
67.01881	2.2
68.22845	0.2
71.01366	0.2
85.02946	26.0
87.00869	42.0
89.02457	0.4
101.02429	0.5
103.04015	0.3
111.00874	100.0
112.01247	0.5
123.16949	0.2
129.01923	6.3
130.99876	1.5
137.63278	0.3
147.03050	0.4
154.99919	1.1
162.08737	0.3
173.00909	3.6
191.01973	78.6
192.02362	0.3
208.44736	0.3
305.64670	0.3
363.54797	0.3
404.37473	0.3
473.14984	1.0
493.04700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67017	0.1
59.01118	0.2
59.01390	5.0
60.01708	0.3
61.98820	0.9
71.59673	0.1
72.44388	0.2
74.92577	0.1
78.95905	23.6
82.95425	0.2
84.95123	0.3
96.95991	1.7
96.96934	0.7
98.95618	1.4
98.96191	0.1
99.92572	0.3
115.92072	0.3
116.92828	1.3
152.99600	1.5
163.89708	0.2
178.88399	1.6
179.89215	5.3
180.89992	8.4
181.90742	0.2
196.89491	100.0
197.89528	0.8
234.91019	0.3
252.92056	0.3
279.23273	0.8
280.23642	0.3
305.24579	0.2
457.11127	0.6
515.14941	0.4
532.22760	0.2
533.16150	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	533.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03440	1.8
58.94269	1.1
59.01389	15.3
69.03451	5.0
71.01383	17.9
72.99281	2.3
75.00871	11.5
78.95884	2.5
83.01377	2.9
85.02950	17.1
87.00879	5.0
89.02418	2.2
95.01366	6.4
99.00893	15.8
108.54559	1.3
111.00869	1.7
113.02449	21.4
116.92870	1.6
129.02031	1.4
152.99623	1.7
156.38048	1.5
236.44211	1.3
249.06152	12.3
267.07294	1.9
283.26425	100.0
284.26703	1.5
328.77362	1.5
391.25397	1.4
403.02475	1.5
451.28073	1.8
489.59811	1.4
533.33368	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82375	0.2
59.01393	100.0
61.98842	0.3
67.39977	0.2
78.95913	5.7
92.65721	0.2
96.96973	1.0
131.97813	0.2
138.98106	0.2
152.99634	0.3
177.01411	0.2
268.01627	0.2
365.27188	0.4
533.28528	2.1
553.11139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01715	0.3
61.98833	1.0
72.89181	0.1
75.87560	0.1
78.95903	0.2
82.95421	0.8
86.46108	0.1
88.61293	0.1
88.98826	0.6
89.02438	0.3
91.02914	0.1
96.95953	0.1
110.98580	0.1
116.92841	1.3
152.99609	0.2
161.71225	0.1
227.87126	0.1
235.12338	0.1
247.17699	0.1
281.24860	3.3
282.25339	0.9
283.25528	1.1
392.93396	0.1
449.27170	0.3
451.27423	0.3
534.24951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82896	1.6
55.71964	1.2
58.02975	11.4
59.01385	10.1
59.39490	1.3
61.98543	2.3
61.98834	38.8
71.01369	8.9
74.02477	21.0
82.95412	43.3
86.02477	5.5
86.06075	1.4
87.00867	5.1
87.05663	1.9
89.02441	12.2
96.95966	2.1
97.04000	2.1
99.05624	17.8
101.02439	9.0
101.07185	1.9
103.99493	1.3
107.06127	2.0
109.04039	1.8
111.05619	1.6
112.04027	2.6
113.02438	2.7
119.03462	1.6
119.04990	8.7
124.04026	1.9
125.03535	1.8
127.05117	2.8
128.03526	47.4
130.06609	8.4
135.04536	2.4
135.05621	4.6
137.07243	1.5
141.06688	3.0
143.04626	63.3
144.04539	8.5
145.06245	2.6
146.04614	3.2
146.06111	2.4
153.06657	3.0
156.04523	6.2
160.00713	14.8
160.04024	7.0
161.02359	2.6
161.04617	2.4
162.05534	6.1
167.04634	3.2
167.08177	2.3
174.05545	6.7
177.03380	5.0
179.04485	12.4
185.05667	2.1
188.07164	2.4
192.07857	1.3
198.05695	2.0
206.04584	2.0
209.11765	2.3
210.08868	11.2
216.06703	12.8
254.07832	11.8
272.08914	17.7
276.08875	10.4
288.06567	7.5
306.07684	100.0
328.08401	1.6
341.10870	16.4
372.08380	9.5
474.20264	19.5
494.18863	1.6
498.16043	36.6
534.13806	13.5
534.21143	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	534.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12396	0.1
55.52892	0.1
57.03452	0.2
58.00583	0.2
59.01394	8.3
61.98823	0.3
62.15511	0.1
65.99854	0.2
67.12933	0.1
71.01388	6.9
72.99310	3.5
73.02937	1.3
83.01415	0.3
85.02957	1.7
87.00870	0.8
89.02444	7.2
91.20341	0.2
95.01368	0.5
99.00882	0.3
101.02440	4.1
102.65849	0.1
105.02185	0.6
113.02456	2.9
116.71535	0.2
119.03500	2.7
120.00928	1.3
121.01671	3.1
121.58871	0.1
122.02479	3.5
122.03284	0.3
123.03245	0.8
125.02437	0.5
131.03473	0.8
133.01677	1.5
135.83806	0.1
136.00420	0.8
137.01251	0.2
138.05605	1.5
139.02655	0.1
143.03514	0.2
148.04063	0.8
149.01184	100.0
152.03560	0.3
153.00658	0.2
161.04581	1.1
162.01924	0.2
164.03537	42.9
179.05615	3.1
192.03036	10.0
204.74448	0.2
209.12572	0.1
210.04068	0.7
221.06686	1.5
243.21681	0.2
258.57916	0.1
323.09546	0.2
504.10202	0.2
516.12549	0.2
534.14624	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	534.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42059	0.1
59.01385	0.2
61.98843	1.0
71.01382	0.1
72.30907	0.1
78.95901	7.2
79.95735	1.7
82.95425	0.2
92.64846	0.2
96.96004	100.0
96.96912	10.9
103.04166	0.1
107.62675	0.1
116.71989	0.1
117.03443	0.2
119.05010	2.1
128.03511	0.2
134.03719	0.2
143.04622	0.2
144.04546	0.8
145.03004	0.2
147.03275	0.2
147.04527	0.2
160.04024	1.3
162.05592	3.3
174.05573	0.2
188.03532	1.5
206.04611	1.5
240.31325	0.1
248.05644	0.3
306.07880	0.3
355.63144	0.2
387.12308	0.2
436.22507	0.7
474.17947	0.8
534.19824	2.2
557.13800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
59.16379	0.2
61.98836	100.0
78.95902	7.5
84.95123	0.4
106.54226	0.2
116.92883	0.3
129.78467	0.2
137.60240	0.2
152.99667	0.8
178.88516	0.3
179.89310	0.8
180.90144	1.6
181.90071	1.2
193.21786	0.2
196.89491	20.5
197.89513	10.1
198.89377	1.3
279.23294	2.1
384.95920	0.2
476.27640	0.3
534.16589	2.2
534.23645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63841	0.2
52.59456	0.2
56.85776	0.2
59.01373	1.5
61.98545	0.4
61.98834	8.4
63.99241	0.3
65.44026	0.2
73.28142	0.3
78.95898	25.1
82.95403	0.5
84.95113	1.1
85.23595	0.3
96.95993	1.2
96.96964	1.2
105.51331	0.3
116.92833	1.9
152.99606	2.5
166.74364	0.3
177.51732	0.3
178.88431	1.9
179.89221	4.7
180.90013	7.4
196.89497	100.0
197.89574	1.2
215.69513	0.3
252.92061	0.4
281.24747	2.6
282.25296	2.2
292.96603	0.3
307.26416	0.3
378.90173	0.3
461.14200	0.5
479.89423	0.3
535.17792	11.6
535.25238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03448	0.8
57.76077	0.3
58.00601	1.4
59.01390	44.9
62.48953	0.4
65.30939	0.3
69.03477	0.4
71.01390	33.6
72.99277	0.3
73.02599	0.5
73.02959	10.7
75.00884	0.4
76.15967	0.3
80.95452	0.4
81.03452	0.6
83.01410	3.2
83.01825	0.4
85.02966	9.5
86.00104	0.8
87.00891	5.1
89.02451	33.1
92.11741	1.0
95.01412	2.3
97.02945	0.7
99.00874	2.2
101.02447	30.0
111.00887	0.5
113.02447	15.6
115.54561	0.4
119.03499	11.4
125.02440	2.0
126.03401	0.3
131.03502	7.2
143.03487	1.9
149.04532	0.5
159.02974	2.1
160.04004	0.5
161.04561	12.4
162.05635	3.0
179.05637	6.6
188.03598	0.5
193.12302	1.2
206.04604	0.7
211.13443	1.4
212.98012	0.3
221.06706	11.8
253.79291	0.4
312.86127	0.4
535.24042	100.0
536.24738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61219	0.1
59.01381	0.2
60.47650	0.1
66.95913	1.2
78.95919	0.2
82.95415	100.0
83.02492	0.2
96.96008	2.5
96.96928	0.5
112.38818	0.1
116.31389	0.1
119.04980	0.1
134.03804	0.2
160.04056	0.5
160.05310	0.2
162.05603	1.6
175.14392	0.1
188.03549	0.6
206.04596	0.9
280.62527	0.1
329.13983	1.1
476.17963	0.2
535.23260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88101	0.4
57.67900	0.4
59.01386	100.0
60.85247	0.3
61.98842	2.5
63.19637	0.3
64.35081	0.4
74.38932	0.4
76.95062	0.5
80.68936	0.5
98.87533	0.5
143.81657	0.4
152.99620	0.8
168.26431	0.5
171.10474	0.4
173.83418	0.5
225.09918	0.5
267.10995	2.7
351.56467	0.5
393.21252	0.6
397.20752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71160	0.2
59.01388	1.0
59.22324	0.2
65.73557	0.2
76.40355	0.2
84.00264	0.2
116.92849	0.3
143.63048	0.2
192.00383	0.3
228.38542	0.2
255.23323	48.7
256.23648	2.5
257.23917	1.4
276.81775	0.3
279.23309	100.0
280.23676	1.1
367.35745	0.5
423.65118	0.2
470.17212	0.2
534.46259	0.5
535.38745	0.3
535.45691	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	536.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45777	0.1
59.01389	0.3
59.19159	0.1
61.98832	100.0
71.01406	0.3
85.02943	0.2
89.02449	0.2
134.03783	0.2
158.06190	0.2
160.01735	0.6
160.04161	0.2
162.05656	0.6
175.04102	0.6
188.03534	0.3
193.05109	0.3
201.75958	0.1
206.04674	0.2
307.14117	0.3
473.17068	0.6
476.17648	0.3
485.28558	0.2
536.27917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32291	0.3
51.07088	0.2
54.02347	0.2
58.58128	0.3
59.01390	3.8
60.01719	0.3
61.98837	100.0
78.95929	1.1
82.49281	0.4
86.16218	0.3
92.11708	0.4
108.67900	0.3
126.25732	0.3
143.78354	0.3
149.13062	0.3
154.95958	0.3
175.47913	0.3
227.20404	0.7
333.23898	0.4
442.19376	0.3
563.42786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1551
Annotation	Agrostonidin
Peak:m/z	Relative Intensity
52.27898	0.1
53.45007	0.1
53.84786	0.1
59.01379	0.2
68.99586	0.1
76.80741	0.1
78.95903	6.4
79.95743	1.5
94.98087	0.1
96.96007	100.0
96.96906	9.7
134.03717	0.2
135.04556	0.1
260.56973	0.1
272.24496	0.1
298.36090	0.1
375.00751	0.2
376.01474	0.1
404.08508	0.2
436.07739	0.1
446.08197	0.1
447.08783	2.4
465.09955	0.2
477.14648	0.2
479.07831	0.5
507.10773	0.4
522.13123	1.4
537.15643	3.7
538.90601	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	537.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52995	0.1
60.09746	0.2
61.98826	0.2
66.95915	0.7
68.96997	0.2
82.95412	100.0
84.95079	0.3
92.12359	0.4
96.95970	0.4
97.17164	0.2
100.95229	0.2
119.05066	0.2
124.04425	0.2
129.36871	0.2
134.03708	0.2
145.02985	0.3
146.06149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04807	0.6
62.16105	0.5
78.95901	51.9
89.82436	0.5
92.11777	0.6
96.95988	0.8
96.96955	7.1
104.65190	0.5
132.29366	0.6
150.16745	0.5
152.99586	54.2
161.61244	0.6
171.00537	0.7
178.47395	0.6
183.00607	18.4
202.94305	0.6
207.53209	0.6
257.04340	4.2
279.23297	100.0
280.23471	1.0
415.22470	0.9
537.28339	78.2
538.28516	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	537.2841
Annotation	Vielanin D
Peak:m/z	Relative Intensity
54.83112	0.3
57.13415	0.4
59.01388	0.8
61.98822	1.9
65.08819	0.3
78.95901	26.1
96.96971	4.1
109.76094	0.4
140.01242	0.4
151.46553	0.4
152.99605	34.1
171.00717	1.5
183.00641	9.9
201.01735	0.7
257.04330	8.1
261.22055	0.4
275.05246	0.8
279.23318	100.0
280.23520	3.0
332.58945	0.5
345.01566	0.4
453.93607	0.4
519.45020	0.5
537.28418	51.0
538.28766	2.3
544.82666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	93.5
61.98834	17.1
69.12560	0.7
78.95903	15.0
89.33559	0.7
114.37820	0.7
148.26936	0.8
152.99556	3.6
156.15594	0.8
168.04330	1.9
224.06955	3.4
226.72569	0.8
242.08017	1.6
243.19656	100.0
255.23312	64.5
256.23581	1.3
261.16208	0.9
281.24973	1.5
293.21204	8.3
310.62103	0.7
311.22525	1.1
396.83826	0.8
471.67697	0.8
480.31003	46.6
537.32898	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4895
Annotation	5-PAHSA
Peak:m/z	Relative Intensity
51.41455	0.1
64.48825	0.2
64.94511	0.2
72.98788	0.2
77.99284	0.1
94.11114	0.2
116.92876	0.3
131.13188	0.2
148.24203	0.2
255.23318	62.0
256.23694	0.3
270.94537	0.2
281.24872	100.0
282.25201	1.1
318.90942	0.2
449.84399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33048	0.5
59.01387	32.4
59.72421	0.6
61.98831	1.5
71.01349	0.7
72.35746	0.6
78.95901	23.5
80.60342	0.6
89.75660	0.6
90.06308	0.6
96.96937	0.8
102.20316	0.7
152.99617	3.8
162.28482	0.6
168.04361	3.7
217.00305	1.2
221.19043	0.7
224.07019	7.9
226.76534	0.7
239.20171	100.0
242.07977	1.5
251.87575	0.7
332.48868	0.6
374.99374	0.9
444.69937	0.7
456.80377	0.7
464.27853	57.7
465.27792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35330	0.6
55.01875	0.7
59.01384	42.6
71.00990	1.2
71.01379	31.1
72.99291	1.0
73.02929	4.0
75.00877	2.8
78.95890	0.9
80.05640	0.7
85.02946	6.7
87.00867	11.1
89.02438	57.3
92.12367	1.1
95.01348	1.0
96.96952	3.5
99.00825	0.9
101.02430	29.5
106.90878	0.8
113.02443	16.0
119.03490	11.0
125.02468	1.1
129.01936	1.2
131.03484	3.2
143.03481	3.6
145.69940	0.7
149.04581	1.3
161.04584	10.2
179.05602	31.8
188.73083	0.8
195.05049	5.4
196.05469	1.2
197.05714	1.1
221.06676	28.8
263.07645	1.0
281.08774	3.1
281.86819	0.8
309.36215	0.9
323.09900	3.2
341.10880	5.1
344.38535	0.9
377.08591	19.1
503.16235	100.0
504.17136	1.2
539.13910	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	9.5
62.67550	1.3
65.80776	1.2
71.01369	1.5
82.95467	1.1
89.66447	1.5
90.71979	1.5
107.34827	1.4
110.79947	1.6
239.20178	100.0
240.20554	2.7
273.19400	1.4
277.21725	77.0
359.22003	1.9
452.13818	1.6
539.40863	94.9
540.41101	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	540.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97564	33.8
59.01374	0.8
61.87717	0.4
61.98828	8.2
69.79045	0.5
72.99305	5.7
75.47352	0.4
77.34238	0.5
78.02341	0.5
78.95890	0.5
83.68723	0.4
91.03009	2.0
96.96001	4.2
98.00700	3.5
99.00208	0.6
111.00224	2.5
112.00984	0.8
113.98904	1.0
116.92874	1.0
124.00993	100.0
125.01810	5.3
130.08742	0.6
140.00497	41.3
141.01385	0.5
142.99213	1.8
162.05687	0.9
165.04926	2.4
167.99985	23.2
168.01379	0.9
169.00816	1.9
171.10292	2.7
181.04465	0.8
186.01004	1.9
186.31839	0.6
247.12843	0.8
265.13815	0.9
281.13492	0.7
319.14896	0.9
337.15820	3.5
401.22806	0.7
419.23541	4.1
424.03168	0.6
435.23318	0.6
437.24722	7.3
450.87009	0.5
453.24036	6.2
463.22852	2.4
481.23810	34.3
540.28656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82916	0.4
59.01379	0.7
78.95902	19.7
116.02542	0.8
140.36821	0.3
152.99579	3.8
162.28346	0.4
168.04306	3.2
192.23265	0.4
224.06943	8.5
242.07993	0.9
255.23311	100.0
256.23651	0.8
274.47266	0.4
293.21246	0.5
334.48682	0.3
352.15295	0.4
460.51218	0.4
480.31000	52.9
481.31400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60938	0.2
59.01372	0.8
59.55124	0.2
59.60396	0.2
61.98820	0.4
68.99568	2.8
71.01365	0.5
71.26485	0.3
72.89526	0.2
89.02447	0.3
96.95987	0.3
101.02432	0.3
108.02138	0.4
108.04541	0.2
112.98560	1.7
115.13010	0.2
116.05053	0.5
118.02907	0.3
119.05022	1.8
120.04518	2.0
123.03356	0.2
123.04453	0.3
131.03738	0.9
132.04538	1.2
134.06091	2.4
134.99979	0.2
144.04539	5.9
145.02882	0.2
146.06117	10.1
147.03267	6.5
148.04041	0.4
149.06055	0.3
152.01158	1.7
158.06041	0.3
160.01706	1.3
160.04022	12.4
161.02475	0.5
161.04825	0.3
162.05600	100.0
163.05937	0.9
167.03459	1.7
172.04031	1.4
174.05664	0.2
175.04013	0.4
176.03555	0.3
176.07225	0.3
182.40022	0.2
188.03520	7.7
190.05096	3.1
204.06654	0.4
206.04601	49.6
207.04942	0.3
248.05585	0.4
253.07080	0.3
334.09454	0.4
337.09360	0.8
343.21326	0.3
350.08963	1.7
368.09750	0.5
371.11862	0.2
458.26956	0.2
505.13721	0.3
541.14716	16.4
541.21521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43628	0.1
59.01374	0.7
59.18499	0.1
61.98815	0.4
68.51835	0.2
68.99568	0.8
71.01393	0.2
80.95341	0.2
91.79025	0.2
102.58448	0.2
108.04513	0.2
112.98598	0.3
116.05048	1.0
118.02963	0.4
119.05022	2.1
120.04548	2.2
128.05029	0.7
131.03731	0.9
132.04593	1.5
134.02507	0.2
134.06110	2.6
144.04561	7.9
146.02464	0.2
146.06123	10.8
147.03276	6.7
148.04010	0.4
150.01939	0.2
150.38194	0.2
159.03233	0.3
160.04051	15.4
161.04823	0.8
162.05615	100.0
163.05968	1.2
170.06155	0.3
172.04092	1.3
174.05699	0.3
176.03418	0.3
178.05116	0.4
179.02292	0.3
186.05692	0.2
188.03540	10.8
190.05121	4.4
190.06691	0.3
202.05128	0.3
204.06668	1.0
206.04605	54.1
207.05017	0.2
230.04613	1.0
248.05647	2.1
278.06677	0.4
290.06641	0.8
308.07703	0.4
334.09277	0.4
350.08835	2.2
355.13315	0.2
356.49289	0.2
368.09833	0.4
376.13931	0.2
389.04056	0.2
395.15952	0.2
541.14716	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	541.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11136	1.1
54.82293	1.3
56.32335	1.0
57.03439	1.4
59.01382	100.0
59.17423	1.1
71.01382	25.0
72.99298	2.4
73.02576	1.4
73.02931	9.7
75.00860	1.3
75.40276	1.3
83.01377	5.2
85.02946	12.3
89.02424	7.6
96.95980	11.3
99.00879	2.1
101.02443	24.4
109.02932	2.5
110.17850	1.2
113.02443	11.7
119.03500	2.7
124.04118	1.3
124.07549	1.4
143.03474	1.6
153.01932	2.7
159.02969	1.7
161.04526	13.8
197.67068	1.1
233.10159	2.6
251.11369	44.3
293.12473	28.3
323.13565	6.8
446.69174	1.6
539.51251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77597	0.2
54.82005	0.2
59.01377	0.3
59.97826	0.2
60.99310	18.4
60.99625	0.6
62.31375	0.2
87.00861	3.3
88.00404	3.2
88.01205	0.4
88.04032	1.3
88.98797	100.0
89.02433	35.6
97.50237	0.2
99.69421	0.2
114.37993	0.3
116.04086	0.2
135.87535	0.2
139.56273	0.2
151.94923	0.2
157.75580	0.3
270.73828	0.3
371.11774	0.3
496.86948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91870	2.6
61.98820	4.0
99.92579	71.3
100.93407	4.2
112.44291	3.1
115.92079	100.0
116.92848	22.7
133.05322	4.9
134.03716	5.8
134.06129	4.5
149.02522	3.6
156.92395	4.0
158.06064	3.2
160.04076	4.0
274.43869	3.3
396.29001	5.4
512.21112	4.4
524.21222	5.2
540.35724	3.4
542.22168	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1514
Annotation	CHEBI:85153
Peak:m/z	Relative Intensity
57.97561	0.6
59.01390	1.9
59.97138	0.6
61.98800	0.6
68.97306	0.5
71.01365	2.8
76.30627	0.6
81.03506	0.7
87.00862	0.8
89.03944	3.2
93.03458	8.3
109.02980	1.1
111.04492	4.1
117.03453	7.0
119.05038	0.6
124.00974	1.2
126.00645	0.9
127.03979	1.1
132.02155	1.2
133.02936	4.3
134.03729	100.0
137.02431	3.0
139.03999	0.6
149.06065	10.6
155.03459	4.4
160.01669	14.0
173.04539	26.8
175.03993	10.9
178.02760	2.7
191.05573	2.9
193.05052	66.7
194.05388	0.9
219.79280	0.6
259.09720	0.8
349.09293	26.7
367.10309	22.6
368.10828	0.7
543.19354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69744	0.5
53.17525	0.4
59.01392	0.6
60.99314	16.7
69.73663	0.5
76.57288	0.4
87.00864	0.9
88.98800	100.0
89.02451	5.3
98.43930	0.5
134.03745	8.4
135.04477	2.3
149.06076	3.9
261.12518	0.7
287.10699	0.7
288.11075	2.8
303.13519	3.2
405.77219	0.7
407.78790	0.5
453.20392	5.9
454.20618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03450	39.0
58.00595	1.3
59.01382	48.8
69.51650	0.8
71.01378	25.3
72.99298	1.4
73.02938	23.3
75.00858	1.8
79.05499	1.4
79.66536	0.8
81.03441	4.8
83.01382	6.9
83.05016	6.7
85.02513	1.0
85.02945	7.7
88.21398	0.7
89.02438	22.0
93.07094	3.7
95.01359	0.8
96.95979	6.1
97.06590	2.1
99.04513	25.3
101.02426	31.5
113.02429	11.3
113.06083	3.6
116.04928	0.8
119.03477	6.6
119.05029	4.1
121.02958	11.5
122.02491	0.9
123.04530	9.4
125.02419	13.1
131.03537	1.2
132.04596	1.4
133.02936	1.6
133.10225	5.6
134.03758	1.3
135.04497	1.2
137.02393	1.2
138.05534	0.9
141.05618	1.6
143.03526	1.6
144.04523	1.6
145.06627	6.6
146.06139	1.7
149.04483	0.9
157.10240	2.0
159.08197	5.5
160.01653	1.0
160.03995	8.8
160.08934	59.3
161.02521	6.1
161.04543	33.5
162.05618	25.5
163.05975	6.9
164.06100	1.4
173.09654	8.5
175.11278	77.1
177.21683	0.8
179.05695	5.7
188.03497	6.0
189.03975	1.2
203.05757	1.5
206.04591	14.0
207.04927	2.0
219.10287	29.7
230.04767	1.0
233.06555	1.5
241.54675	0.9
253.07213	6.4
263.07736	11.7
319.48566	0.9
323.09869	12.9
329.02939	1.1
399.16614	22.9
413.08862	1.0
441.17770	5.7
457.55325	1.0
481.20987	0.9
534.06433	0.9
543.21039	100.0
544.21429	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	543.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83011	1.7
59.01379	9.0
61.98828	2.5
84.04556	4.2
86.02469	16.7
86.99095	9.1
97.55462	2.3
109.02974	19.2
127.05148	3.4
127.08743	20.6
128.03534	100.0
153.01929	9.7
153.06683	3.4
155.14412	9.9
171.07750	77.9
186.10818	9.5
187.07761	3.0
215.06747	4.9
216.08298	3.5
227.06021	2.3
239.78409	2.2
245.12030	2.4
249.22234	8.6
293.21255	22.5
325.41626	2.1
327.20041	48.5
339.47815	2.3
352.23077	2.2
356.43564	2.7
398.95532	2.3
414.23224	17.5
525.25433	2.6
526.57397	2.7
543.19403	4.4
543.27533	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	543.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10855	0.1
59.01386	100.0
61.66843	0.1
63.28177	0.1
73.16685	0.1
77.69634	0.1
100.48202	0.1
116.92895	0.9
142.47290	0.1
167.50722	0.1
417.46295	0.1
495.38153	0.1
507.28015	0.2
556.54218	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	543.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24899	1.6
56.05881	1.6
59.01376	8.1
59.27925	1.6
61.98838	1.8
62.87939	1.6
64.34067	1.7
67.53635	1.7
80.37202	1.9
83.51476	1.9
92.12374	4.2
94.00608	1.9
102.73428	2.0
265.21741	100.0
277.21759	80.6
567.72748	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	544.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
60.21866	0.1
61.98818	0.7
69.87010	0.1
71.01386	0.3
74.88074	0.1
91.88041	0.2
92.45650	0.2
108.04466	0.2
116.32840	0.1
116.92863	0.9
117.03428	0.2
117.92863	0.2
118.02979	0.3
119.05026	1.5
120.04530	2.0
121.02905	0.2
122.02502	0.2
124.36322	0.2
132.02180	1.3
132.04547	0.6
133.02946	0.6
134.02704	0.2
134.03731	2.3
134.06142	2.3
135.04550	0.3
144.04562	2.6
145.02948	0.2
147.03275	7.0
147.04430	0.3
160.01712	6.9
160.04041	13.1
161.02405	0.9
161.04684	0.3
162.05621	100.0
163.05984	0.9
175.02589	0.3
175.04025	7.2
176.03534	0.3
178.02785	0.2
178.05087	0.2
179.02155	0.2
188.03543	7.0
190.02747	0.3
191.05917	0.3
193.05078	1.0
195.93518	0.2
205.05061	0.3
206.04611	50.3
207.05008	0.2
230.56448	0.2
323.07813	1.1
337.09351	3.5
350.08969	0.4
368.09940	3.9
544.14667	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	544.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.3
68.76875	0.2
84.50085	0.2
85.03014	0.2
92.12421	0.6
99.00869	0.2
106.59092	0.2
107.15125	0.2
119.05007	1.8
120.04553	2.3
132.02139	1.1
132.04549	0.4
133.02972	0.3
134.02319	0.2
134.02834	0.2
134.03735	2.3
134.06117	2.5
135.04503	0.2
144.04529	2.2
147.03262	6.5
160.01692	8.1
160.04016	12.2
160.05351	0.4
161.02426	1.3
161.04570	0.2
162.05602	100.0
163.05910	0.9
172.56360	0.2
175.02588	0.4
175.04007	6.7
176.03398	0.2
178.05115	0.3
188.03523	7.0
193.05075	1.2
206.04596	49.0
207.04929	0.4
323.07788	0.9
337.09369	3.5
350.08664	0.3
368.09885	4.3
490.50494	0.2
544.14673	12.0
545.15125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41741	0.4
57.72473	0.4
59.01392	6.0
61.98833	0.9
65.65598	0.4
67.50071	0.3
68.04780	0.3
71.01387	4.6
72.99321	4.1
75.00871	48.4
76.51132	0.4
80.19932	0.4
83.01417	0.6
84.47340	0.4
85.02952	2.9
87.00858	2.0
89.02432	5.4
99.00872	1.5
101.02441	0.9
113.02453	0.9
125.02409	2.6
128.03471	0.6
128.05043	2.3
129.75241	0.5
130.06613	8.3
131.03517	0.8
136.72659	0.4
141.01936	0.7
143.03497	1.0
144.04565	2.5
146.06116	100.0
147.06464	1.0
149.04533	2.0
156.04573	1.9
161.02464	1.0
161.04572	4.3
162.01854	0.5
172.04042	39.6
174.05606	7.5
179.05602	1.0
190.05128	3.7
194.05975	0.6
212.07123	0.8
228.06653	0.8
256.06128	2.3
286.07208	2.0
293.08810	2.5
311.09845	7.8
466.13428	6.1
468.15103	4.0
544.24121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
56.65823	0.4
57.03444	0.9
58.00589	2.1
59.01384	69.0
63.02048	0.3
63.64647	0.4
63.80129	0.3
65.48388	0.3
67.44542	0.4
71.01377	33.2
71.05001	0.3
72.99294	2.5
73.02921	0.8
73.43475	0.3
77.72581	0.4
83.01356	2.8
85.02947	9.7
87.00859	0.8
89.02436	42.9
95.01370	2.7
96.96006	7.2
99.00880	0.4
100.36573	0.4
101.02433	25.4
113.02440	14.8
113.09712	0.7
119.03485	18.1
119.04901	0.6
125.02428	0.4
130.06599	2.2
131.03435	0.8
132.04532	0.5
133.02942	0.8
143.03442	1.5
146.06125	0.9
149.04552	1.0
152.98318	0.5
157.08772	0.6
158.06143	0.7
160.04066	1.8
161.02441	2.7
161.04535	2.1
162.05638	2.3
179.05611	1.0
183.03023	0.8
206.04590	0.5
323.10001	0.6
337.15085	100.0
338.15326	0.7
341.10886	1.7
394.98401	0.4
448.34680	0.4
464.91830	0.4
544.17499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.2
59.48078	1.1
61.98832	2.9
63.29885	1.1
71.01366	2.6
72.99293	1.4
93.03448	1.8
96.96001	2.3
101.02416	2.2
103.68742	1.3
113.02431	1.5
116.05051	15.5
119.04996	1.9
122.02466	29.9
123.03278	10.1
128.05081	2.0
131.03758	7.9
132.04550	1.6
135.04433	1.3
137.02432	5.8
138.05605	32.1
144.04553	49.7
145.02940	3.1
146.06113	100.0
149.02469	1.6
152.03566	1.6
160.04077	7.3
160.07655	1.5
161.02490	2.8
161.04443	1.9
162.05638	25.0
164.04840	1.3
166.05162	7.2
172.04050	34.5
179.03502	1.9
188.03572	7.0
190.05104	53.5
191.05542	1.5
206.04631	5.1
210.04166	1.6
214.05087	2.5
232.06198	8.6
255.44855	1.2
274.07278	8.0
278.06876	1.3
293.09476	2.9
307.08347	1.5
334.09323	28.3
335.09671	1.4
378.09583	2.0
452.82019	1.3
473.15784	15.0
496.52316	1.5
545.13751	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61367	0.2
56.21330	0.2
59.01389	3.0
69.03465	6.2
70.02982	1.4
71.01386	1.5
71.02524	0.5
72.00928	0.3
73.02934	0.3
77.63028	0.2
78.95893	0.5
80.19202	0.2
85.02949	0.3
87.04516	74.2
88.04053	0.5
89.02415	0.4
95.02492	0.6
96.96026	0.3
99.00892	0.3
101.02460	1.5
111.01995	0.3
113.02457	10.3
113.03580	5.7
114.01974	5.0
116.92873	1.6
117.01964	0.5
130.08733	8.1
131.03503	100.0
131.04591	12.0
131.09064	1.7
132.03020	1.9
132.03915	0.5
145.29034	0.3
148.40556	0.3
153.49080	0.3
202.10846	0.4
203.10474	0.4
251.11534	0.6
262.51913	0.3
413.16788	1.1
414.17178	1.0
541.07428	0.3
554.62183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88075	0.6
55.01874	4.6
57.03465	28.1
58.00602	1.1
59.01392	70.8
61.98824	3.0
63.80605	0.7
64.34155	0.8
65.67980	0.7
68.05634	0.6
68.62257	0.7
69.32323	0.7
71.00988	1.4
71.01384	36.0
72.99314	1.1
73.02577	1.2
73.02948	16.9
78.47984	0.7
81.03409	0.9
83.01382	8.2
83.24644	0.7
85.02949	16.0
87.00847	4.0
89.02441	14.0
90.89151	0.7
92.12071	6.0
95.01387	1.7
96.69944	0.8
96.95992	0.9
97.02911	1.0
97.06540	0.8
99.00872	4.2
99.04502	8.6
101.02438	34.2
103.22116	0.7
113.02436	14.1
119.03472	6.7
119.04971	1.1
123.04539	1.2
123.08158	7.1
125.02439	1.2
130.08749	0.8
131.03467	1.2
133.02896	1.5
135.04395	0.8
137.02437	1.4
146.06094	1.3
149.02446	6.4
151.11310	1.0
160.03996	3.9
161.02425	1.4
161.04572	9.2
162.05627	10.0
163.06012	0.9
164.04765	6.4
177.12834	13.6
188.03523	3.1
190.02791	1.2
195.13850	5.8
206.04591	4.5
207.02870	1.0
207.04808	0.8
221.11789	7.1
223.06096	5.7
337.99045	0.8
401.18182	80.4
443.19315	29.0
483.22272	7.4
545.22437	100.0
546.22430	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03456	3.1
59.01385	9.2
59.63759	0.4
60.99314	0.7
61.98832	100.0
62.07340	0.4
62.98530	0.5
71.01376	9.1
72.99307	2.2
73.02938	1.2
75.00868	6.5
83.01387	0.6
83.84872	0.4
85.02948	10.2
87.00886	2.3
88.98797	4.5
89.02430	4.1
93.03471	0.5
93.58963	0.5
95.01347	0.6
96.96029	1.1
97.02975	0.9
99.00894	2.3
101.02452	4.3
103.00383	0.5
113.02438	8.2
117.01937	0.5
122.02467	0.8
123.42597	0.6
129.01910	0.6
131.07155	0.8
133.02989	0.7
134.03735	8.3
135.04495	9.2
137.09737	0.8
143.06442	0.5
144.04588	0.7
149.02528	2.1
149.06129	3.2
151.07561	0.8
155.97581	0.6
160.04021	0.8
161.02490	3.4
162.05641	3.1
163.04060	1.0
164.04834	1.9
175.02541	0.7
175.03944	0.9
188.03555	0.6
190.02791	0.6
191.03586	0.9
193.03514	3.8
203.10738	1.7
205.05135	0.8
206.06009	0.9
209.77225	0.5
221.08231	0.8
221.11926	2.4
223.06201	2.6
235.04684	3.2
237.07771	0.5
265.07263	3.8
304.16803	0.6
306.18332	3.3
320.19864	0.6
332.16217	4.0
337.07697	1.0
341.77209	0.5
417.93912	0.5
462.15320	0.6
482.22998	19.1
545.22717	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3484
Annotation	Picracin
Peak:m/z	Relative Intensity
54.82648	0.8
58.80922	0.8
59.01384	100.0
61.98846	1.0
73.13226	0.9
81.81986	0.8
82.63377	0.7
165.09201	2.0
257.39923	1.0
281.16348	0.9
455.14194	1.0
467.32089	1.3
485.32663	15.7
499.29541	1.0
571.10608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1477
Annotation	Mollupentin 2'-O-rhamnoside
Peak:m/z	Relative Intensity
55.85632	1.7
57.03455	4.3
59.01384	26.2
61.98820	7.5
67.01900	2.1
71.01383	12.0
71.12109	1.5
73.02943	3.5
75.00880	1.7
83.01390	2.6
83.97790	1.8
85.02952	7.7
87.00855	2.1
89.02485	2.4
91.82990	1.9
92.11762	3.8
92.12353	4.2
93.03455	4.8
96.96016	2.5
101.02445	11.0
106.50922	2.0
110.09335	2.0
113.02477	2.2
117.03448	4.8
119.05020	25.3
121.02950	2.2
128.89445	1.9
134.03735	2.6
135.04532	3.8
137.02446	4.3
145.02994	2.1
146.06076	3.0
160.04082	7.3
161.02448	7.7
162.05594	20.0
163.03993	25.8
167.03555	2.6
175.03986	4.0
180.69527	2.0
191.03662	2.6
193.08784	2.2
206.04639	4.6
215.03413	2.8
227.03510	3.1
233.04411	2.7
249.07625	2.2
283.06165	3.3
284.03186	2.6
295.06149	7.2
296.06793	3.3
297.04306	3.8
297.07724	21.4
298.04782	15.0
309.07507	2.4
311.05624	2.8
325.07297	10.3
328.05859	7.5
337.06985	3.5
341.06781	12.7
353.06656	39.7
365.06769	2.9
383.07770	31.0
395.07916	2.8
401.10818	2.1
402.18668	9.3
403.18848	3.5
413.08841	3.9
443.09854	7.6
444.19528	2.7
503.11868	7.7
546.23035	15.3
547.14746	100.0
547.23077	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	547.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03458	0.4
58.00608	1.3
59.01391	51.3
60.01711	0.3
71.01392	25.6
72.99303	2.0
73.02947	0.6
73.37132	0.3
74.02465	0.4
83.01395	1.7
85.02956	5.3
87.00847	0.7
87.04512	1.4
88.04015	1.4
89.02446	33.4
95.01368	2.1
95.01929	0.3
96.95994	0.7
101.02438	20.0
111.00874	0.4
113.01709	0.6
113.02447	11.4
115.00375	5.2
115.03969	0.5
115.32520	0.3
119.03497	14.3
131.03525	3.4
132.03021	2.2
132.06636	0.5
133.01430	9.9
133.05040	1.4
134.04718	0.4
143.03514	0.4
149.04553	0.7
151.02634	0.5
161.04535	0.7
162.01945	0.5
179.05652	1.7
189.01823	0.3
204.08830	0.7
295.10349	100.0
296.10626	2.3
307.17087	0.3
491.38126	0.4
543.31244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.2
59.01383	9.2
59.03819	0.8
59.52988	0.9
60.21589	1.0
61.98836	7.7
70.98132	0.8
72.99303	1.2
73.34891	1.0
75.00877	0.8
85.02961	1.7
92.11738	1.7
93.03449	1.8
96.96013	10.3
98.02439	9.3
101.02447	1.7
104.76584	0.9
118.47270	1.0
133.02940	1.0
137.02437	1.6
160.04051	2.3
162.05615	1.3
165.90097	0.9
173.50667	0.9
195.07758	23.3
196.08528	12.1
197.09341	4.5
199.03998	4.7
227.03517	47.6
229.05083	29.0
242.05865	69.2
243.06619	1.8
244.07394	14.4
257.08212	100.0
259.09845	4.9
341.09933	1.4
412.17264	1.1
455.18301	74.7
456.18701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60748	0.2
58.74272	0.2
59.01389	100.0
59.84900	0.2
61.98832	0.2
67.34695	0.2
73.62855	0.2
78.95894	0.3
92.65150	0.2
96.96015	0.3
114.45634	0.3
178.35449	0.2
180.89211	0.3
439.32376	1.0
457.33716	0.4
547.36902	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56150	0.3
54.82765	0.4
59.01395	0.5
61.98812	0.7
66.99971	0.3
101.06188	0.4
116.92867	1.7
234.15166	0.4
267.23303	76.5
268.23648	2.9
279.23294	100.0
280.23572	3.0
315.41348	0.4
536.30627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45207	1.0
59.01385	9.2
61.98831	4.7
62.43491	1.0
71.01379	7.4
71.09899	1.0
72.99287	2.8
73.02948	1.4
83.52927	1.0
85.02923	2.5
88.98811	1.5
89.02438	5.8
96.95995	2.2
97.50401	1.0
101.02424	1.7
113.02415	1.4
128.03564	1.1
132.42020	1.2
137.02393	1.4
138.01949	20.1
145.03001	1.8
148.00403	11.9
149.02429	1.4
152.03551	10.2
153.04327	42.3
160.04057	4.4
162.05515	1.8
162.36945	1.2
163.02747	10.6
164.04832	1.6
165.00679	23.1
168.06662	37.3
175.04002	1.5
176.00607	1.3
178.05135	8.2
180.01544	2.1
180.03035	36.6
181.03772	8.0
188.03526	1.5
190.02682	6.8
190.05086	1.2
196.04678	1.5
196.06175	20.6
200.20207	1.4
205.05090	2.6
206.05595	1.4
209.03275	21.2
212.94502	1.1
220.89784	1.2
223.06160	5.6
224.05653	100.0
234.29517	1.2
240.46452	1.1
248.05692	1.2
253.72679	1.1
379.58057	1.1
548.16241	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88519	0.3
59.01392	0.4
61.98834	100.0
63.06688	0.3
66.84845	0.3
77.24261	0.3
90.07701	0.3
92.11662	0.8
93.45705	0.3
100.99062	0.4
104.04563	0.3
124.87090	0.3
134.42026	0.4
182.57968	0.3
200.79131	0.3
273.80545	0.3
297.51306	0.4
354.30267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
60.95565	0.3
71.01379	0.5
73.02937	0.6
78.26808	0.3
80.06830	0.3
88.04031	0.5
89.02460	0.7
93.03453	1.5
96.96004	1.5
99.92594	6.4
113.02483	0.5
116.92863	100.0
117.01938	0.5
117.92935	1.2
137.02451	1.8
166.26019	0.3
215.00267	0.3
365.06622	0.4
403.96014	0.4
489.16318	0.8
543.26349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95957	0.2
59.01379	0.9
60.20578	0.2
61.98832	0.3
63.85753	0.2
65.75031	0.2
66.81810	0.2
74.16096	0.2
77.03962	1.9
104.74332	0.2
117.03458	0.4
119.05016	3.6
121.02950	100.0
122.03267	0.8
130.88771	0.2
145.02943	1.8
147.04553	0.4
163.04039	1.6
164.50713	0.2
165.01935	30.6
166.02554	0.3
180.05858	0.8
181.06577	2.9
197.06078	3.1
207.04562	1.2
225.05566	1.2
248.98360	0.2
257.09741	0.4
289.70978	0.2
301.08539	0.2
306.29950	0.2
313.07220	1.4
344.23889	0.2
357.06381	0.4
417.09741	1.8
505.11572	1.1
549.10486	24.4
550.10657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41841	0.6
53.73434	0.7
59.01382	4.6
61.98829	1.4
71.01385	6.0
75.00858	1.3
78.53204	0.8
83.90646	0.8
85.02956	3.4
87.00883	1.2
93.03445	51.9
95.17282	0.8
96.96004	1.5
99.00877	2.1
110.03624	0.9
113.02443	3.6
115.42922	0.8
137.02435	100.0
168.76506	0.9
176.70407	1.0
242.33604	0.9
249.06151	10.9
267.07184	1.8
290.78574	0.9
354.98166	1.0
369.08224	1.5
387.09216	6.9
425.60519	1.0
431.61041	0.9
458.79739	1.0
549.14734	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	549.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86672	1.1
56.50052	1.0
59.01387	73.5
60.19087	1.0
63.02710	1.0
63.67022	1.2
63.92920	1.1
71.01380	34.7
72.99321	1.7
83.01395	2.1
85.02957	7.7
86.99717	1.2
89.02435	41.9
92.12447	1.4
93.03461	7.1
95.01398	1.9
95.09709	1.2
96.95995	14.0
96.96975	1.5
101.02448	26.0
113.02438	14.2
116.05075	2.2
119.03499	16.6
137.02466	16.5
139.50696	1.3
142.06631	2.8
144.04579	1.2
149.04776	1.2
154.21539	1.5
155.37959	1.1
159.09299	1.3
161.08209	9.3
169.91785	1.4
203.08240	5.7
204.03824	1.2
208.39874	1.4
225.06470	5.6
262.29706	1.5
323.13519	100.0
345.01263	2.6
345.11728	17.7
389.10526	2.2
405.15356	1.3
473.60498	1.4
549.21088	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	549.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59377	2.2
54.50341	2.3
56.22926	2.6
59.01379	7.2
61.98822	7.3
69.08421	2.5
71.01379	3.7
78.95427	3.5
78.95895	100.0
80.38634	2.6
86.06067	2.7
97.78778	2.8
99.92583	15.8
100.92615	11.6
101.92415	14.2
104.37263	2.6
110.98480	10.8
115.92065	15.4
116.92063	5.1
116.92855	13.9
117.91905	3.5
117.92847	4.0
118.92695	3.3
126.53190	2.7
167.01221	3.6
179.89200	16.5
180.89252	7.0
181.88991	6.0
182.21330	2.9
182.89856	3.6
193.90758	15.7
194.90941	17.0
195.90900	6.6
196.89500	47.5
197.89474	35.2
198.89412	34.0
233.15524	5.5
279.23300	6.6
308.30093	3.9
501.16028	3.9
531.17200	13.3
549.18134	87.4
550.18402	13.1
557.36786	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24583	0.1
52.86069	0.1
54.82516	0.1
60.86420	0.1
68.99571	0.1
78.95895	6.0
79.95731	1.2
82.37650	0.1
96.96000	100.0
96.96902	10.1
185.45209	0.1
209.07750	0.1
258.84692	0.2
272.99155	0.1
293.64355	0.1
306.07547	0.1
361.93674	0.1
396.63690	0.1
462.37900	0.1
568.62555	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72170	0.3
54.82665	0.3
59.01387	100.0
61.98833	2.9
64.41190	0.3
64.89110	0.3
71.37762	0.3
72.58762	0.3
78.23887	0.3
87.04517	0.8
96.89165	0.3
96.96112	0.4
117.03506	0.6
119.05029	3.5
120.05416	0.4
122.09197	0.4
145.02982	0.6
163.04071	1.8
166.71075	0.4
345.19638	0.4
371.29538	1.3
394.63428	0.4
425.30893	0.8
459.34933	2.1
489.35944	16.7
549.38348	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22904	0.3
59.01387	100.0
61.98837	2.3
69.71693	0.3
72.43244	0.3
117.03482	2.1
118.03683	0.3
119.05028	6.1
120.05345	0.4
120.66261	0.3
121.02943	8.0
122.84139	0.4
145.02951	3.7
160.68616	0.3
163.04013	3.3
165.01917	3.0
190.78842	0.4
308.19379	0.4
549.38568	1.8
550.10791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08907	0.1
59.01347	0.4
61.98820	0.3
62.72880	0.1
64.41421	0.1
69.95922	0.1
76.57826	0.2
78.46590	0.1
78.95861	0.8
84.51315	0.1
115.92023	0.2
116.92802	0.9
127.11235	0.4
141.12849	0.3
153.12842	0.2
155.10771	3.0
171.10262	4.9
179.89355	0.2
180.33173	0.2
192.94702	0.2
193.90829	0.2
196.89536	0.6
219.27507	0.2
233.19325	0.2
251.20158	32.8
279.23294	9.0
279.26395	0.3
295.22751	0.9
297.24353	100.0
298.24570	0.7
549.19489	0.8
550.19489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96865	0.4
55.61422	0.5
59.01382	11.0
61.98835	22.4
62.15344	0.5
69.70581	0.6
71.01379	8.8
72.99298	8.4
73.02939	1.0
85.02953	1.0
87.00883	1.2
89.02442	10.9
96.96010	0.9
99.00903	0.7
101.02439	6.9
112.44954	0.5
113.02449	4.4
116.05033	9.4
118.06635	0.6
119.03522	4.0
120.26916	0.7
121.02962	0.7
128.05052	3.4
131.03752	5.8
132.04536	2.2
137.01186	6.1
143.03456	0.8
144.04546	35.2
144.08125	0.6
146.06111	98.9
152.03531	10.7
152.64986	0.5
158.06052	0.9
160.04077	0.7
161.04553	1.2
162.05586	13.8
168.87497	0.5
170.06100	1.3
172.04027	29.4
174.05710	0.5
179.05629	3.4
186.05602	0.9
188.03604	0.9
190.05092	77.8
191.05521	0.6
206.04619	2.2
214.05006	1.0
232.06142	4.7
262.07190	3.0
292.08276	3.9
336.01755	0.6
341.10809	3.6
352.10190	2.2
514.15686	100.0
515.15967	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	550.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
56.45169	0.3
59.01385	22.0
61.98831	4.5
67.01885	0.4
71.01380	16.3
72.99305	72.1
73.02943	2.8
81.03437	1.6
82.42455	0.4
85.02941	3.4
87.00854	2.0
89.02440	20.5
95.01398	2.7
96.95975	0.5
101.01771	0.5
101.02435	13.2
107.01336	0.4
113.02450	9.1
114.35251	0.4
116.05067	3.9
119.03497	6.8
125.02420	1.8
128.05093	1.0
131.03723	3.4
132.04524	0.6
133.02928	0.6
137.01186	52.1
138.01541	0.6
143.03485	0.4
144.03444	0.7
144.04559	14.8
145.01425	0.8
146.06125	41.6
147.06528	0.5
149.04523	0.6
152.03537	100.0
153.03865	1.6
161.02483	1.5
161.04564	3.3
162.05595	5.3
172.04056	9.8
179.05614	11.0
190.05106	36.1
191.05499	0.6
221.06694	4.1
232.06157	0.9
292.08383	0.7
323.09833	0.6
341.10739	1.7
352.10422	0.8
393.71030	0.5
397.09918	3.0
514.15692	34.1
515.16028	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	550.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86818	0.3
58.00598	0.4
59.01383	17.0
61.98820	2.5
65.17099	0.2
71.01381	11.3
71.32227	0.2
72.99288	0.5
81.62180	0.2
82.95423	2.0
85.02943	1.5
89.02434	18.9
90.44527	0.2
101.02434	1.2
104.75200	0.3
113.02419	0.5
116.05037	1.7
118.06609	1.1
119.03546	0.3
128.05054	5.1
131.03741	11.3
132.04555	1.0
137.02435	0.6
144.03662	0.5
144.04541	25.0
146.06113	100.0
147.06454	1.3
149.04561	2.7
160.03981	0.3
162.05621	2.3
172.04016	3.7
190.05095	61.4
191.05392	0.5
191.10738	0.4
209.11833	2.4
223.96698	0.3
359.17126	29.8
360.17377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51381	0.1
59.01391	3.1
60.01721	0.3
61.01824	0.3
61.98843	100.0
62.69303	0.2
70.29330	0.2
84.63067	0.2
97.34261	0.2
97.75605	0.2
99.59422	0.2
99.94539	0.2
121.02932	0.2
128.75459	0.2
167.77005	0.2
174.99423	0.2
217.00337	0.3
220.78252	0.2
345.08957	0.2
347.15463	0.3
349.17096	0.8
391.18054	1.9
409.19281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30662	0.2
56.23235	0.2
59.01385	1.2
61.17100	0.2
61.98827	1.3
65.64892	0.2
70.32736	0.2
71.01377	1.0
72.99306	1.6
75.00855	0.3
85.02951	0.5
89.02446	0.3
93.03445	87.8
96.96021	0.3
99.00871	0.2
101.02424	0.3
108.48238	0.2
113.02431	0.9
121.02932	4.0
137.02432	100.0
138.02757	0.8
145.03021	0.3
145.08690	1.0
160.03983	0.4
162.02048	0.5
162.05597	0.3
165.01965	1.1
174.70711	0.2
185.07837	0.2
271.33026	0.2
329.12021	0.3
338.54279	0.3
371.09720	1.2
381.18597	0.2
413.10898	11.7
431.11691	0.7
491.17224	0.4
551.14032	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	551.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
59.01368	4.7
61.98816	6.4
71.01383	2.2
74.23249	1.0
83.01369	1.3
85.02938	1.5
89.02428	1.1
90.97034	1.1
92.12399	1.1
95.01358	1.2
96.95999	2.2
108.01459	1.7
108.02174	50.7
109.02963	14.3
111.17142	1.1
115.31663	1.1
119.05045	1.6
121.02936	28.9
134.03726	1.7
135.04535	1.4
137.02452	1.1
146.06172	1.1
151.03983	1.4
152.01149	100.0
153.01927	5.1
160.04042	4.3
162.05594	6.9
163.04041	5.3
188.03549	1.4
193.04962	1.2
205.05055	1.1
206.04590	1.5
223.06139	1.1
249.30811	1.2
315.07278	1.5
429.10410	24.2
433.38150	1.3
551.14111	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43127	0.2
52.56266	0.2
53.00088	0.1
56.11039	0.2
59.01379	0.7
61.98817	0.2
65.56881	0.2
68.65221	0.2
77.61150	0.2
78.95897	3.8
79.95737	1.2
96.95999	100.0
96.96884	5.3
97.57909	0.2
114.38245	0.2
134.03777	0.3
153.01970	0.2
184.29875	0.2
336.67078	0.3
371.48029	0.2
461.10364	2.4
536.15192	1.1
551.17151	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03442	0.9
58.00593	1.0
58.14828	0.4
59.01387	45.2
61.98841	3.5
69.03463	0.7
71.01382	40.7
72.99302	2.7
73.02948	11.1
75.00868	1.1
82.27010	0.5
82.95414	2.5
83.01366	2.3
85.02949	12.4
85.28702	0.4
86.00056	0.5
87.00875	8.0
87.36694	0.5
89.02438	32.6
93.03439	0.5
95.01392	3.3
96.95983	0.7
97.02952	1.0
99.00867	2.7
101.02440	31.7
108.02168	3.3
109.02959	0.9
113.02448	18.3
119.03493	13.4
121.02966	3.3
122.02457	2.7
124.89577	0.5
125.02402	2.0
128.03545	1.0
131.03481	9.8
133.02924	0.6
135.04547	0.7
139.04176	0.5
143.03439	2.3
144.04530	0.8
146.06104	1.1
149.04613	0.7
152.01164	6.4
152.69858	0.6
159.02966	1.2
161.04568	14.1
162.05586	0.7
165.12791	0.7
172.04099	0.6
177.02039	0.5
179.03494	0.6
179.04004	0.5
179.05580	6.6
190.05072	3.7
206.04550	0.6
208.91322	0.5
209.11838	1.0
221.06679	14.1
227.12869	2.2
249.05919	0.4
295.97852	0.5
326.75085	0.5
371.09705	2.2
429.10446	2.6
551.23541	100.0
552.13861	3.3
552.23590	3.7
553.21857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35237	1.1
64.34079	1.2
71.01366	2.3
71.50272	1.3
72.90360	1.1
73.31545	1.2
78.95898	77.5
80.96305	3.3
92.11823	2.0
94.98985	1.7
99.92567	12.2
100.92571	8.8
101.43098	1.2
101.92387	7.5
110.98538	16.6
115.24236	1.3
115.92035	10.3
116.92069	6.8
116.92854	8.6
117.91933	3.3
117.92852	6.8
118.92584	4.3
164.99544	2.7
167.01213	1.8
179.89259	11.0
180.89964	7.4
181.89040	6.7
182.89767	1.9
182.90727	1.6
193.90762	11.0
194.90733	12.5
195.90428	11.8
196.87769	2.4
196.89508	41.7
196.91339	3.9
197.89523	31.4
198.89334	31.2
210.91087	2.0
212.90874	2.3
268.93857	1.4
269.94681	1.6
281.24850	7.3
319.98526	1.4
503.17484	1.8
532.00372	1.6
533.18414	2.8
551.19598	100.0
552.19568	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	551.3
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20595	52.7
62.63985	58.4
78.95877	100.0
84.01261	63.1
88.57039	51.1
102.64474	64.5
107.67207	71.2
151.62787	61.8
152.99535	72.7
220.40247	67.0
221.70845	67.4
279.23401	90.8
312.04742	65.6
394.32489	66.4
555.52106	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.84306	0.2
59.01387	21.6
61.98821	0.2
65.88867	0.2
67.32139	0.2
71.01380	4.7
73.02932	0.9
78.95899	1.5
83.01391	0.3
85.02935	0.9
87.00856	0.5
89.02444	5.4
90.02347	0.2
95.01382	0.2
97.86005	0.2
101.02438	6.1
106.76556	0.2
113.02458	2.4
119.03497	1.4
124.22534	0.2
131.13959	0.2
138.25266	0.2
143.03470	0.3
160.12057	0.2
161.04607	1.6
179.05652	0.8
179.89232	0.2
196.89532	0.8
198.89682	0.2
233.35818	0.2
235.08287	1.5
237.22044	0.2
253.09322	15.2
255.23318	100.0
256.23679	1.1
269.24628	0.3
491.32272	1.0
538.56604	0.2
551.19330	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	552.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12959	1.0
56.23704	1.0
59.01388	12.8
61.98841	1.6
71.01388	11.1
73.02927	1.9
85.02959	2.0
88.52997	0.8
89.02429	9.5
95.01363	1.2
96.95995	4.1
101.02435	8.7
113.02454	4.2
116.05061	14.3
119.03504	2.3
128.05099	1.4
131.03767	7.3
132.04538	1.5
144.04552	38.9
146.06126	100.0
160.01637	2.5
160.04053	3.6
161.04497	1.6
162.05598	18.7
163.06136	1.2
172.04045	32.9
175.04030	2.3
179.05643	1.3
181.07181	5.6
188.03552	4.0
190.05106	86.3
206.04619	1.4
232.06175	5.0
292.08331	4.5
343.12576	3.8
352.10486	2.1
378.07617	1.0
514.15582	6.3
516.17279	88.4
517.16284	4.2
552.23895	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	552.2038
Annotation	Carbazomarine A
Peak:m/z	Relative Intensity
54.15079	0.9
59.01372	1.1
61.98821	7.6
77.64072	1.1
78.95897	100.0
82.63908	1.1
96.96000	2.6
96.96941	6.8
98.95586	1.7
99.92589	14.4
114.38499	1.1
114.94920	9.5
115.92059	16.4
116.92826	7.1
122.00023	1.2
134.98547	1.5
137.99614	2.2
141.96063	10.8
150.98087	1.9
152.99590	62.0
179.89230	20.6
180.89999	10.4
181.90860	11.2
192.00702	1.8
194.02191	1.9
196.89491	47.5
196.91328	1.7
202.94466	1.2
204.92274	2.1
205.93106	1.9
222.93387	1.8
235.91768	6.4
236.92569	1.3
255.23325	29.6
256.23715	1.2
271.22586	1.1
277.95297	1.6
409.23434	9.0
435.12515	1.4
450.26172	1.6
475.15549	4.7
492.16052	8.5
509.15982	1.3
516.18146	17.6
534.19513	9.8
537.52380	1.1
552.20380	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82634	0.3
59.01379	1.5
61.98828	2.3
65.90836	0.3
78.95898	7.6
83.82045	0.3
88.19586	0.3
141.52170	0.3
152.99577	1.1
168.04315	1.6
224.06874	1.1
242.08017	2.8
259.20697	0.3
277.21725	100.0
278.22028	2.9
337.81970	0.3
502.29456	38.2
503.29779	1.2
571.39001	0.3
575.09558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97122	0.3
59.01386	5.7
61.98824	1.5
66.10790	0.3
70.40242	0.3
78.95905	33.3
88.56656	0.3
92.11581	0.5
96.96928	0.4
122.98537	0.5
123.83454	0.3
151.34642	0.3
152.99562	5.1
168.04288	5.9
224.06932	10.8
233.22775	0.4
242.08003	3.1
253.21729	23.0
259.20691	0.6
277.21713	100.0
278.22070	2.4
478.29370	6.1
502.29446	73.1
503.29868	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	552.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	17.0
59.01688	0.6
61.98835	0.4
74.23458	0.3
78.95907	18.1
85.24729	0.3
90.92099	0.3
92.65733	0.3
109.13976	0.3
152.99629	2.1
153.00688	0.3
168.04256	2.7
214.43317	0.3
215.17882	0.3
224.06929	5.4
242.07956	3.2
253.21739	100.0
254.22043	2.5
259.20615	0.3
277.21722	43.4
278.22031	1.5
325.46179	0.3
478.29431	31.2
479.29800	1.9
502.29459	30.7
503.29816	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77702	0.2
57.66151	0.2
59.01386	22.3
61.98823	1.1
63.43675	0.2
70.69430	0.3
74.15511	0.3
78.95899	20.5
96.96002	0.5
96.96963	0.4
116.92863	0.4
117.92851	0.4
135.74948	0.3
152.99583	5.1
168.04347	3.5
196.89519	1.2
209.09132	0.3
224.06953	7.3
242.07951	1.3
253.21744	100.0
254.22093	3.9
279.23093	0.3
280.23663	0.5
316.80740	0.3
478.29425	52.4
479.29697	2.9
552.30554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82442	0.4
59.01387	2.1
61.98837	100.0
62.01955	0.3
101.04834	0.4
119.05025	0.6
177.25847	0.5
261.05267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83085	0.4
54.41121	0.3
57.03439	0.7
59.01381	14.0
61.98808	2.0
68.99810	0.4
71.00993	0.7
71.01375	12.6
72.99284	0.9
73.02913	2.5
78.95874	2.9
79.41447	0.4
79.95721	1.0
82.95409	4.1
83.01372	2.0
85.02951	4.8
87.00865	3.6
89.02432	10.3
89.03939	0.6
93.03426	2.9
94.03805	0.5
95.01376	0.8
96.95998	35.7
96.96951	2.3
99.00848	2.1
101.02439	11.2
105.82040	0.5
107.04989	0.4
113.02439	7.1
117.03428	4.5
119.03487	2.4
121.02905	1.0
128.23671	0.5
132.02173	11.0
133.02907	2.0
134.03726	72.8
137.02437	4.3
138.02713	0.7
139.02934	0.4
143.03519	0.8
145.02931	0.5
147.04526	0.8
148.05280	1.8
149.06071	12.0
152.08398	0.6
153.09119	0.7
160.01651	75.4
161.04541	0.9
173.06108	0.7
175.03992	91.9
176.04791	7.0
177.01736	0.7
178.02707	6.6
179.05672	0.9
191.07089	7.9
193.05051	62.9
194.05392	0.6
202.02728	0.5
205.12462	0.5
207.06631	2.8
217.05035	0.9
220.03810	0.7
220.79480	0.5
235.06116	21.0
265.07190	6.4
283.10556	0.5
295.08240	7.4
337.09241	4.7
341.10767	0.8
355.10342	6.4
358.44958	0.5
371.09891	0.9
491.10461	0.5
517.15717	100.0
517.22736	7.0
518.16052	2.8
553.13531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.6
61.98831	1.1
71.01389	13.2
73.02942	1.1
76.89185	0.7
77.88116	0.6
82.95451	0.6
83.01387	1.0
84.63835	0.6
85.02946	3.1
87.00884	0.8
89.02438	14.0
95.01395	0.8
96.96000	7.1
101.02435	8.5
108.02184	1.2
113.02447	6.6
117.03448	1.0
119.03498	7.4
121.02939	1.0
125.02468	0.8
132.02164	12.9
134.03737	20.0
134.93016	0.7
137.02470	0.7
146.06148	1.1
149.06082	2.9
152.01149	3.4
153.01370	0.7
160.01659	73.9
161.02371	1.1
161.04535	1.1
162.05574	1.3
175.03999	100.0
176.04408	0.8
178.02660	2.6
179.05551	1.4
190.05096	2.7
193.05069	23.7
195.11617	0.7
200.01595	0.7
217.05069	1.4
221.06544	0.8
226.48373	0.6
227.12886	6.3
283.10257	5.1
305.25519	0.7
323.09714	0.9
337.09329	0.8
341.10989	1.4
517.15704	52.4
518.16357	0.9
553.14270	1.2
553.24146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91146	0.2
57.03457	0.4
59.01387	3.8
59.78546	0.2
61.98833	1.6
71.01385	1.3
73.02946	0.7
74.47217	0.2
78.95901	7.0
83.01398	0.5
84.93250	0.2
85.02941	2.1
87.00893	0.4
92.11736	0.3
96.96968	0.4
101.02422	2.0
128.05057	5.9
130.06621	98.9
131.06987	0.7
146.06136	18.8
152.46161	0.3
156.04562	18.0
161.04565	31.6
171.06670	0.3
172.04033	1.3
174.05609	100.0
175.05911	0.7
179.05568	0.3
181.32404	0.3
259.02246	1.6
318.09854	27.8
331.11102	0.5
336.10928	1.3
435.63135	0.3
493.16626	2.0
493.37686	0.5
553.24023	2.2
569.02820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75502	44.9
57.83796	44.5
59.01353	46.1
61.98833	76.5
62.59592	46.3
67.30317	56.0
75.03070	45.9
83.34274	51.1
97.68065	51.7
108.30521	67.9
109.06521	65.5
109.48018	55.5
116.92848	100.0
117.27152	54.1
117.77152	55.9
137.38109	64.6
247.88144	55.8
255.23175	64.1
297.24210	79.3
326.42477	62.9
328.22946	59.4
467.02063	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90882	21.1
60.52927	24.0
61.98832	100.0
62.14481	23.3
75.81422	24.9
78.95885	35.8
84.50200	25.7
92.11768	41.1
92.49153	26.0
116.92805	35.9
145.68610	23.8
162.08952	29.1
205.91269	27.8
223.09503	31.8
244.51700	29.2
256.23425	33.6
257.23996	33.0
348.37497	31.4
439.60788	34.0
498.26715	33.6
522.77814	30.1
584.14105	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	553.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14970	0.5
52.28626	0.4
59.14380	0.4
59.49534	0.4
64.34364	0.4
71.68936	0.4
88.61383	0.4
91.26982	0.5
95.29456	0.5
116.92846	0.6
132.85681	0.5
136.55704	0.5
227.70439	0.5
265.21725	100.0
302.99258	0.4
383.56586	0.5
553.42419	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36676	0.1
56.88067	0.1
59.01386	0.4
61.98834	100.0
67.10642	0.1
72.99321	0.1
85.02979	0.1
93.03474	0.1
95.41836	0.1
96.96045	0.4
112.98577	0.1
118.08298	0.1
123.04386	0.1
133.02940	0.1
137.02463	0.4
152.01163	0.1
158.06041	0.1
160.04047	0.2
161.02432	0.4
162.05670	0.6
167.03505	0.1
206.04610	0.1
253.50005	0.1
285.17007	0.1
287.81143	0.1
492.27744	0.1
493.27448	0.5
494.27914	0.6
554.24091	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	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81077	0.2
59.01378	0.3
71.01365	1.1
71.08651	0.2
73.69194	0.2
78.95483	0.3
78.95901	5.0
78.98602	0.3
79.95717	0.9
80.96513	5.6
87.00829	0.3
92.12432	0.5
94.98067	1.6
122.97598	0.3
134.97533	0.4
148.99106	0.4
152.98537	0.4
152.99600	1.1
155.41412	0.2
164.98572	1.5
168.04263	1.4
196.79704	0.2
206.99664	0.2
224.06958	1.0
225.00711	1.9
229.89015	0.2
242.07996	2.2
261.22168	0.5
279.23294	100.0
280.23651	3.2
299.04364	0.2
391.79816	0.2
423.66422	0.3
423.72528	0.2
478.93018	0.2
504.31012	33.9
505.31296	1.2
555.28406	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58983	0.3
53.07704	0.2
56.09543	0.2
59.01375	0.3
63.57622	0.2
65.25977	0.3
78.24953	0.2
78.95901	20.4
80.11449	0.2
105.51321	0.3
152.99612	2.9
168.04324	4.0
182.26924	0.3
215.85696	0.3
224.06960	7.0
242.07936	1.5
261.22141	0.3
275.01236	0.3
279.23318	100.0
280.23526	2.1
321.47318	0.3
352.37061	0.4
504.31039	60.7
505.31418	1.6
529.69098	0.3
563.68439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82273	0.2
59.01389	16.9
71.27856	0.2
72.17649	0.2
72.31857	0.2
78.95907	4.9
86.41882	0.2
92.12351	0.5
95.20583	0.2
126.30696	0.2
152.99576	1.1
168.04327	1.4
224.06953	1.0
242.08020	1.6
255.23329	100.0
256.23660	4.0
279.23050	0.2
339.01117	0.2
392.46045	0.2
480.31000	29.1
481.31409	1.7
547.37341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49653	0.3
54.51072	0.3
59.01385	19.4
69.92276	0.3
73.35931	0.3
78.95899	16.8
80.90186	0.3
85.01569	0.3
90.45980	0.3
91.75231	0.3
93.14828	0.3
96.03911	0.4
99.21064	0.3
102.76115	0.3
123.01544	0.3
141.69377	0.4
152.99541	3.2
167.71043	0.3
168.04301	2.8
178.09985	0.4
224.06909	7.7
242.07976	1.5
255.23306	100.0
256.23605	2.5
319.99213	0.3
480.30991	61.0
481.31168	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	555.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14642	0.2
59.01374	1.2
61.98822	0.6
64.34663	0.3
67.23901	0.2
71.01385	1.1
83.49758	0.3
84.29552	0.2
84.95117	0.4
85.02940	0.4
88.98817	1.4
89.02433	0.4
91.01853	0.3
93.03455	0.4
96.95985	1.3
112.62514	0.3
113.02468	0.6
116.05058	4.2
119.03524	0.3
119.05005	0.7
132.02220	0.5
132.04538	0.5
134.03769	1.0
144.04524	1.2
149.02409	0.3
152.01196	0.6
159.03238	0.6
160.04042	100.0
161.04616	0.5
162.05608	8.1
174.05576	0.5
175.04007	3.7
178.05075	0.4
186.05603	0.3
187.02849	0.4
188.03523	3.4
190.05011	0.3
193.05069	1.1
202.05025	0.5
204.03027	5.9
204.06595	0.6
206.04648	3.1
211.35214	0.3
230.04659	0.5
235.06155	0.3
248.05576	1.5
268.21222	0.3
290.06628	0.7
350.08780	1.6
495.08575	0.5
519.15387	1.7
526.54907	0.3
555.12476	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	555.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.8
59.59208	1.5
61.98832	7.0
71.49038	1.8
114.93401	2.1
115.45459	1.6
116.05034	3.1
128.05006	2.3
131.03784	2.2
132.04558	2.9
134.03719	2.6
144.04552	56.5
146.06116	54.1
146.07310	1.8
160.04024	30.2
162.05592	58.6
172.04019	11.5
174.05574	2.3
187.39742	1.6
188.03534	100.0
190.05103	39.6
193.05113	2.0
214.05109	3.6
220.06169	44.0
232.06114	7.6
258.98935	1.5
274.07343	7.1
334.09329	24.5
451.32382	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	555.2844
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.89639	0.3
52.46660	0.3
56.62883	0.3
59.01387	0.6
63.96228	0.4
64.97015	0.4
69.03468	0.4
71.01383	7.4
73.02940	1.3
78.95916	0.5
78.98592	6.0
79.95741	9.1
80.44629	0.3
80.53817	0.3
80.96521	67.1
81.03474	0.5
81.51737	0.3
82.95415	1.9
85.02953	3.1
87.00426	0.4
87.00876	3.0
94.98085	16.6
95.37691	0.4
96.96028	0.4
97.02973	0.7
101.02422	3.0
106.98088	3.7
122.97566	3.0
125.02446	3.2
127.04010	0.8
134.97568	6.6
136.99123	1.6
148.99136	6.5
152.98637	6.5
164.98637	12.7
167.00200	0.5
206.99648	2.7
225.00766	16.5
255.23241	3.1
299.04456	3.7
555.28455	100.0
556.28595	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	556.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	11.9
61.98814	2.7
62.44386	0.6
71.01383	4.0
73.02924	0.8
74.02465	1.8
78.34050	0.8
84.00925	6.6
85.38632	0.6
86.02484	1.2
89.02437	4.3
91.03999	4.8
96.96001	4.6
97.04079	0.8
99.05618	1.6
100.00393	1.0
101.02413	1.0
102.05601	1.1
105.03476	6.0
109.01179	11.4
109.65524	0.7
113.03566	3.8
117.38729	0.7
117.80960	0.9
121.02944	1.6
125.03558	18.7
128.03543	12.9
130.43619	0.8
131.01395	0.8
132.04485	0.9
133.02983	1.2
134.03790	1.1
134.04723	1.5
134.99037	0.8
137.00661	36.9
138.05537	0.9
139.05952	1.3
143.04630	5.0
145.02896	1.2
145.99167	1.6
146.02469	1.1
146.04639	1.1
148.01503	0.8
149.02394	3.5
156.01732	1.2
157.02554	16.7
160.00679	4.2
160.01857	5.3
160.04005	2.7
161.02019	0.9
162.05591	3.2
162.98607	3.3
163.99394	8.1
164.03500	1.4
165.00153	100.0
169.02541	34.1
175.00412	1.2
175.04037	5.1
176.01759	4.2
176.04424	0.8
177.02046	1.2
178.03300	5.0
180.99670	1.6
188.03548	3.6
192.99635	20.9
193.05045	1.1
198.11740	0.8
200.03482	0.9
203.01323	25.0
204.01279	10.5
206.02821	0.8
206.04564	0.9
208.99150	29.2
222.02350	1.2
241.73262	0.7
257.04950	3.0
260.00137	0.9
261.12784	0.8
266.05594	0.8
267.71252	0.8
272.08981	4.8
280.08264	1.7
283.02866	7.9
285.04346	7.7
296.06018	7.3
301.03955	1.7
324.07251	0.9
335.03616	1.2
342.39209	0.8
349.11246	1.5
352.05182	1.4
427.08151	1.2
556.12561	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59903	0.1
61.98832	100.0
66.02641	0.1
118.58942	0.1
130.06641	0.6
131.06960	0.5
146.06151	0.2
161.04651	0.2
174.05670	0.7
175.05960	0.5
176.06238	0.1
228.60548	0.1
233.25111	0.1
290.16916	0.1
319.10107	0.2
374.51224	0.1
382.01962	0.1
434.24228	0.1
493.23358	0.1
519.09009	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	556.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82416	0.2
61.98831	100.0
63.43367	0.2
67.93728	0.2
69.26851	0.2
77.95068	0.3
97.65892	0.2
99.85104	0.2
112.63480	0.3
116.20506	0.2
130.06619	1.3
131.07016	0.4
136.14607	0.2
146.06134	0.3
162.05600	0.2
174.05647	1.0
175.06006	0.5
176.06281	0.3
475.95844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01386	100.0
71.01379	18.4
71.04980	1.0
73.02935	5.3
83.01385	3.3
85.02945	10.5
88.04040	12.0
89.02434	4.2
93.71529	0.8
96.96021	6.1
97.16190	0.7
99.00890	1.7
101.02438	19.8
112.12589	0.8
113.02444	9.8
116.92930	1.2
117.89320	0.8
119.03534	1.1
143.03560	1.4
146.08223	6.7
161.04568	12.3
190.02689	0.8
218.10338	9.8
233.10350	1.2
251.11374	30.4
293.12469	32.2
429.46649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92589	0.2
54.08718	0.2
68.94597	0.2
72.53046	0.2
74.94867	0.2
78.95901	18.6
113.30467	0.2
117.70404	0.2
152.99559	3.1
168.04309	3.0
224.06944	7.8
242.08098	1.5
255.23286	0.3
263.50162	0.2
281.24872	100.0
282.25101	2.2
506.32541	58.7
507.33081	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	556.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
78.95897	6.1
93.01725	0.2
106.55531	0.2
119.35902	0.2
152.99583	1.1
157.84572	0.2
168.04297	1.4
224.06932	0.7
236.36598	0.2
242.07997	2.4
255.23341	0.7
256.23672	1.2
257.23877	0.3
281.24860	100.0
282.25116	1.6
297.64835	0.2
356.90356	0.2
365.15601	0.2
481.31400	0.2
482.31335	0.9
506.32547	34.4
507.33041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.1
70.63441	0.1
70.82690	0.1
71.01363	0.1
71.60603	0.1
72.52795	0.1
73.02946	3.6
78.95899	1.8
87.00895	0.1
89.96333	0.1
99.00867	2.3
99.59789	0.1
99.92578	7.7
114.93398	0.2
116.92854	100.0
117.01933	6.4
117.92845	0.9
130.83856	0.1
134.03786	0.7
135.04546	0.3
149.06082	0.4
152.99617	0.5
154.89207	0.1
171.00627	0.1
185.10979	0.1
211.13423	0.6
229.14523	0.2
234.36559	0.1
289.12155	0.2
314.39740	0.1
329.23413	0.4
340.03256	0.1
417.53931	0.1
439.19016	0.5
465.22864	0.2
511.79822	0.1
557.27277	1.4
566.58844	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	557.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98825	1.4
71.01361	0.2
85.02911	0.2
87.00862	0.2
91.01859	0.2
98.79481	0.2
107.04996	0.1
118.02988	0.3
119.05009	1.4
120.04543	2.4
131.03572	0.2
132.04527	1.7
134.02477	0.2
134.06102	1.9
144.04556	3.6
144.68581	0.1
145.02994	0.1
146.06126	0.3
147.03261	6.1
148.04001	0.6
151.00342	0.2
158.06087	0.2
159.03262	0.6
160.04041	17.8
161.04877	1.6
162.05608	100.0
163.05939	0.9
174.05608	0.7
175.02759	0.5
176.03563	0.4
176.07135	0.2
178.05119	0.9
186.05608	1.0
187.02753	0.8
188.03528	13.3
190.05052	1.1
202.05138	1.1
204.03041	0.3
204.06677	1.8
206.04601	43.9
207.04947	0.3
222.04068	0.2
228.06702	0.3
230.04533	1.7
248.05656	3.4
256.84875	0.2
290.06689	1.7
331.08200	0.2
332.08817	0.2
350.08868	4.9
403.64645	0.2
450.10251	0.2
494.13602	0.2
557.14166	23.7
558.14233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82486	0.3
56.14124	0.2
59.09023	0.2
61.98830	0.3
64.15794	0.2
64.34164	0.2
85.33302	0.2
107.05015	0.2
119.05011	1.9
120.04536	2.2
124.04019	0.4
132.04553	1.7
134.06133	2.8
141.16942	0.2
144.04550	4.0
147.03284	7.3
151.03986	0.4
159.03242	0.4
160.04051	19.0
161.04909	1.7
162.05620	100.0
163.05971	0.8
174.05608	0.9
175.02724	0.4
176.03529	1.1
176.07129	0.4
178.05122	0.4
186.05614	1.3
187.02711	0.4
188.03542	12.2
190.01270	0.2
190.05182	0.4
202.05141	1.0
204.03061	0.3
204.06625	2.6
204.80887	0.2
206.04607	45.1
207.04944	0.2
230.04602	2.4
248.05673	4.1
250.61522	0.2
281.15646	0.2
290.06613	1.8
350.08881	5.9
368.10120	0.3
429.11984	0.3
557.14172	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12618	0.3
54.52919	0.3
59.01391	6.7
60.99012	0.7
60.99315	17.9
61.87637	0.4
61.98826	1.7
64.02959	0.4
71.01375	4.0
85.02949	1.7
87.00878	3.1
88.00420	0.6
88.98802	100.0
89.02441	26.7
92.12438	1.0
96.96041	0.5
101.02442	2.5
113.02457	1.8
114.27029	0.4
119.03502	1.6
125.02424	0.4
130.06635	4.3
131.03610	0.4
143.03508	0.5
144.04556	0.9
146.06146	1.7
149.04585	0.8
160.04033	2.0
161.04535	2.8
162.05603	2.7
172.04094	0.5
174.05562	4.5
179.05576	0.8
188.03522	3.0
202.44980	0.4
205.05101	0.4
206.04594	0.6
282.43475	0.4
293.08899	0.6
311.09970	2.7
323.10104	0.6
334.73050	0.4
335.51669	0.4
341.11008	5.7
468.15274	2.0
470.16464	0.5
498.16211	1.5
558.18274	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	558.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96999	1.4
53.26422	1.2
58.00593	2.6
59.01385	91.0
61.98831	2.5
71.01387	60.9
72.99310	2.7
73.02940	2.9
83.01392	3.8
85.02975	14.0
87.00870	41.6
89.02448	86.0
95.01385	2.2
101.02436	40.7
107.05033	1.9
109.25759	2.2
113.02448	34.6
116.05039	2.6
116.92870	9.6
119.03476	28.0
119.05019	2.6
124.01684	1.7
128.05026	3.6
130.06613	50.4
130.08737	3.2
131.03499	6.9
132.04517	2.0
135.04521	2.6
137.84570	1.7
139.00381	3.0
142.06570	3.0
143.03481	8.8
144.04550	12.5
145.02896	2.0
146.06120	39.9
153.01906	3.0
154.02672	3.0
154.06596	3.5
156.04552	56.6
158.06090	2.6
160.04056	13.3
161.04671	10.4
162.05612	26.5
167.34053	1.7
167.67635	1.6
170.06076	3.1
172.04073	4.0
174.05606	53.9
179.05623	20.5
179.38870	1.7
188.03618	13.7
188.07172	27.2
190.05132	28.4
198.05632	23.8
204.06627	2.1
206.04575	9.3
216.06664	83.8
216.08768	2.7
246.07831	1.8
248.05737	2.5
257.08075	3.5
276.08780	38.3
323.10049	12.9
336.11133	1.9
341.10904	86.0
350.08932	1.9
422.68634	1.8
498.16235	100.0
520.14972	13.9
558.16589	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	558.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28673	1.0
55.01884	1.8
57.03443	1.7
58.00586	2.4
59.01385	89.0
63.58014	0.8
69.03449	1.3
71.01378	63.5
72.99287	1.4
73.02937	6.8
81.03449	1.7
83.01378	5.9
85.02949	23.0
87.00849	9.4
88.71011	1.1
89.02437	73.6
95.01354	6.4
96.96024	1.2
97.02956	7.8
99.00877	2.2
99.04500	2.0
101.02434	51.6
113.01719	1.3
113.02446	24.7
119.03484	14.4
125.02431	27.0
128.05057	5.6
130.06610	86.1
131.03429	3.5
133.02933	6.2
143.03505	19.1
146.06107	7.3
149.04547	1.3
153.99031	1.0
156.04552	1.3
161.04562	50.5
161.21489	1.0
162.05588	5.1
169.01430	10.7
174.04141	2.0
174.05595	44.9
179.05612	22.3
184.03734	7.4
186.87532	1.0
188.07254	1.0
192.99617	6.0
199.06160	4.3
203.05609	5.7
206.04442	1.7
216.06691	7.2
245.06728	1.1
276.08585	1.5
285.04480	2.1
323.09863	44.8
336.84119	1.0
341.10907	100.0
351.12598	1.3
361.11172	2.0
397.84952	1.0
498.16187	36.0
523.16644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.3
59.01386	97.8
61.98825	5.2
63.81413	2.0
69.03451	2.2
71.01376	73.6
72.99293	3.0
73.02935	9.7
75.00877	2.2
78.07156	2.6
79.23731	2.2
81.03426	2.9
85.02941	26.2
87.00851	12.2
88.98792	3.0
89.02438	81.4
90.61929	2.1
92.65326	2.3
96.95988	24.0
97.02937	10.1
101.02443	49.7
113.02441	32.7
119.03498	19.9
120.01227	30.5
125.02435	28.1
128.05040	4.1
130.06612	83.9
143.03549	18.0
143.04474	2.9
146.06094	5.7
155.59953	2.4
156.04608	2.9
160.04100	3.6
161.04541	45.3
169.01395	4.2
174.05559	41.1
179.05652	27.7
190.59990	2.4
216.06808	2.4
227.47916	2.4
281.08389	3.4
312.17911	2.5
323.09854	44.0
341.10922	100.0
359.17285	3.5
360.16895	2.5
422.14917	2.8
437.17087	15.5
442.71002	2.8
498.16263	39.9
501.81931	2.7
581.07355	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	558.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82264	0.6
57.03449	0.7
59.01383	1.2
61.98830	3.1
66.93147	0.6
71.01367	1.3
75.12415	0.6
75.61851	0.8
78.95884	6.9
96.95992	0.9
116.92843	9.8
117.92859	3.2
123.26045	0.7
128.03587	0.7
132.02144	15.5
133.02924	3.2
133.26874	0.7
134.03714	17.6
135.04546	1.4
145.02927	1.4
146.06206	0.9
149.06097	4.5
152.99619	1.5
160.01642	69.5
161.02330	0.9
162.05568	1.0
162.06883	1.6
170.20032	0.8
175.03987	60.9
178.02704	1.2
186.43442	0.8
190.02513	0.8
191.07179	0.9
193.05040	10.3
204.06664	22.6
205.07440	100.0
208.55489	0.9
220.09789	61.7
251.44202	0.8
337.09308	47.1
453.99088	0.8
485.53607	0.8
503.57623	0.8
557.27063	1.2
558.19745	26.8
558.27441	3.5
559.19971	1.0
579.00293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58149	0.4
51.18768	0.4
51.56762	0.4
62.22441	0.4
74.10660	0.4
78.95908	19.7
81.86670	0.6
83.17785	0.4
92.12323	0.6
96.95965	0.6
114.76056	0.4
116.92869	0.8
152.99567	3.5
168.04298	2.8
224.06952	8.5
283.26434	100.0
284.26807	1.1
314.26422	0.5
335.54465	0.5
495.67365	0.7
508.34122	54.6
509.34396	0.8
518.05103	0.6
558.34216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58814	0.2
59.01377	0.9
59.59402	0.2
71.01358	0.2
78.95899	6.0
79.95734	1.3
88.68730	0.2
92.12370	0.3
96.96001	100.0
96.96907	10.1
108.02124	0.3
116.06364	0.2
116.92821	0.4
136.91089	0.3
152.01105	0.4
167.03496	1.9
202.93744	0.2
208.85703	0.3
439.08188	0.3
442.00571	0.3
461.13190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82470	1.9
54.82824	2.2
55.04303	2.0
57.03440	2.8
59.01386	28.7
71.01376	18.2
75.00858	15.1
80.47607	2.4
80.84216	1.9
85.02966	18.1
87.00874	9.1
89.02446	10.9
96.96008	5.0
99.00861	9.0
101.02459	4.3
101.06074	61.6
102.06415	12.2
113.02470	20.3
133.02983	4.0
141.63039	2.1
147.03308	3.7
148.06287	8.1
153.99110	11.6
156.06694	12.6
160.04065	19.2
162.05630	75.7
164.04837	2.4
169.01421	89.5
173.04625	2.6
178.02345	2.2
184.03767	87.5
188.03468	3.2
199.04346	4.8
199.06143	92.9
206.04630	37.2
206.97699	2.3
248.82327	2.2
351.12961	59.7
352.13327	44.1
361.11447	100.0
399.84332	2.5
559.14520	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	559.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12804	0.4
51.13678	0.5
54.25675	0.6
55.01876	0.7
57.03454	35.9
57.93740	0.5
59.01386	28.5
71.01379	14.4
73.02947	10.5
81.03416	1.1
83.01368	4.6
83.05019	1.2
85.02946	3.7
87.00865	1.2
89.02442	5.1
96.95975	0.7
97.02956	0.7
97.06558	1.1
99.00856	1.0
99.04512	8.8
101.02432	16.9
105.01913	1.2
107.04994	1.0
109.51457	0.7
113.02438	4.6
117.03415	1.1
119.05018	1.4
123.04498	1.2
124.05295	2.8
125.02432	3.2
131.03438	0.6
131.17801	0.6
133.06586	1.0
137.06081	1.0
138.06874	7.5
139.07629	19.5
141.05525	0.5
145.02943	5.1
148.29294	0.7
151.07637	5.5
158.07333	0.9
161.04523	4.5
162.05594	1.1
173.09683	2.1
175.07611	3.2
182.05870	1.3
191.10776	31.9
209.11710	0.7
269.10440	0.7
415.16125	11.3
457.17188	3.0
497.20346	0.8
542.06244	0.7
559.20337	100.0
560.20697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21232	0.2
50.40419	0.2
52.72247	0.2
55.53354	0.2
56.66918	0.2
59.01391	0.2
63.90051	0.2
78.95905	0.3
99.92577	7.9
116.92853	100.0
117.01946	0.4
117.92888	0.6
129.18533	0.3
195.46014	0.2
238.00467	0.3
347.80096	0.3
474.05881	0.3
521.64148	0.3
550.85938	0.2
566.15253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40811	0.2
68.65981	0.2
91.90488	0.2
261.22375	0.4
279.23312	100.0
304.51312	0.2
339.19580	0.2
395.07544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.1
63.23453	0.1
64.11612	0.1
72.41380	0.1
80.04424	0.1
82.38078	0.1
93.83200	0.1
115.75931	0.1
134.10997	0.1
229.38416	0.2
231.74229	0.1
241.21484	0.2
261.22177	0.3
279.23297	100.0
280.23639	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	561.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91830	0.7
59.01374	4.5
61.02921	1.0
61.98822	4.4
63.77831	0.8
71.01360	4.7
71.08069	0.9
73.02950	1.1
76.57502	1.1
85.02926	2.0
89.02417	1.2
93.03450	2.5
94.28899	0.9
101.02448	2.0
108.02194	1.7
117.03456	1.0
119.05022	2.0
120.99672	1.4
121.02920	5.8
132.02162	10.8
133.02966	5.0
134.03726	15.7
135.04526	9.4
137.02448	2.3
144.04526	2.4
146.06256	1.4
147.03278	1.3
149.01248	1.5
149.02432	36.5
149.06097	2.4
152.01144	12.5
160.01665	46.1
160.03934	13.9
161.02429	12.9
161.04596	1.0
162.01927	1.9
162.05602	41.8
163.03999	9.1
164.04776	25.6
165.01961	5.0
167.03534	1.8
169.05115	4.5
175.03992	36.6
179.03496	3.9
179.07095	8.6
179.99373	1.5
180.48630	1.1
188.03534	11.6
193.01413	33.2
193.05057	7.7
206.04568	20.9
207.03061	1.9
208.03772	66.3
223.06128	100.0
226.10988	1.2
253.07100	2.0
281.76367	1.1
323.07773	6.0
337.09314	28.6
350.08829	3.9
368.09900	2.3
525.14996	7.3
561.16016	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	561.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21040	0.9
59.01394	8.4
61.98826	4.4
69.03464	2.0
71.01380	6.1
73.02956	1.2
80.35056	0.9
81.78424	0.9
83.05034	2.2
85.02944	2.1
89.02434	2.0
96.96000	1.5
97.02911	1.3
101.02413	2.3
113.02450	2.1
116.05098	1.4
117.03453	28.8
119.05018	35.4
121.02939	1.8
128.05029	1.7
131.03732	4.4
132.04604	4.2
133.06586	7.6
134.03740	8.2
138.06837	4.3
139.07651	6.1
141.19856	0.9
141.21216	1.0
144.04547	18.5
145.02962	100.0
146.06131	56.5
146.07295	1.4
147.06490	1.2
149.02475	1.7
151.07645	1.8
152.01183	1.4
160.01617	2.3
161.06064	10.7
162.05592	1.8
163.04021	31.4
170.06123	1.1
172.04041	7.8
175.04030	1.6
175.07631	1.5
177.05560	2.4
178.02747	1.1
182.05899	1.3
190.02663	2.2
190.03143	2.0
190.05113	57.1
191.05472	1.7
191.10840	16.5
191.73352	1.2
193.05031	6.6
205.05037	11.6
214.04984	1.1
232.06146	2.1
243.76572	1.1
259.11078	1.1
262.07275	1.7
265.07141	2.1
275.24509	1.2
292.08145	2.3
334.09439	5.9
344.44028	1.3
415.16089	26.0
478.00000	1.3
517.20734	10.0
525.15430	1.7
561.19830	61.8
562.20325	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17097	0.1
68.83195	0.2
73.51179	0.2
78.95890	0.8
80.13909	0.2
87.00851	0.4
87.39230	0.2
99.92574	7.8
99.93233	0.3
114.93423	0.3
116.92854	100.0
117.92863	3.0
118.92677	1.2
120.92738	0.2
137.55487	0.2
167.01126	0.3
234.63258	0.2
281.24878	1.0
312.92908	0.2
471.24670	0.2
537.76984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62265	0.9
54.82860	0.9
68.99577	16.7
74.94970	0.9
78.95902	16.5
84.65936	0.9
84.99264	1.1
92.65813	1.1
94.19755	1.0
112.98614	14.0
152.99597	3.7
168.04324	1.8
224.06949	5.7
230.16975	1.1
266.86707	1.0
279.23288	100.0
280.23767	1.6
371.53452	1.2
377.78433	1.0
447.25204	4.1
459.04156	1.1
504.31061	49.6
534.15637	1.2
535.63733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45928	0.2
61.69979	0.2
78.77531	0.2
86.08186	0.2
97.00488	0.2
113.09695	0.2
134.89491	2.1
154.00146	0.3
161.21815	0.2
253.21733	100.0
254.22031	1.8
307.22812	81.2
308.23132	1.6
407.01871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
57.03449	0.3
58.00590	1.4
59.01384	46.8
60.01725	0.3
62.61811	0.2
71.01379	23.5
71.05016	0.3
72.99297	1.9
73.02938	0.4
78.95911	0.4
83.01393	1.3
85.02948	4.5
87.00861	0.4
88.04018	0.4
89.02438	30.4
95.01385	1.9
96.96000	1.9
96.96927	0.2
99.00806	0.3
101.02433	19.1
113.02438	11.0
119.03481	14.3
131.03505	1.3
143.03490	1.0
146.04601	0.3
146.08276	0.3
147.06662	0.4
149.04594	0.3
151.02608	1.3
157.07747	0.5
158.08060	0.3
161.04575	0.3
179.05681	1.1
213.18794	0.2
218.10370	0.3
267.07416	0.4
295.10349	100.0
296.10678	2.7
309.11914	1.2
310.12244	0.9
411.08871	0.3
503.15958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2305
Annotation	Geodiamolide K
Peak:m/z	Relative Intensity
50.42360	0.7
59.01392	1.7
61.98842	2.2
120.04539	1.5
127.91068	0.8
132.04568	3.6
134.06117	1.1
143.28749	1.2
144.04555	5.6
147.03294	5.7
160.04054	24.8
162.05620	100.0
178.05069	1.7
188.03539	23.4
192.19481	1.0
195.98607	1.0
206.04605	50.0
207.05060	1.0
217.41106	0.9
248.05629	1.2
346.95041	1.0
526.78607	1.2
562.22980	30.7
563.63440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1411
Annotation	Isomollupentin 2'-O-glucoside
Peak:m/z	Relative Intensity
55.75128	0.3
59.01385	0.5
61.30885	0.3
61.98830	0.6
63.86220	0.3
64.34332	0.3
71.01366	0.7
76.64523	0.3
79.01840	0.4
81.32237	0.3
83.01393	0.5
87.54833	0.3
93.03442	2.5
93.10731	0.3
101.02408	0.3
104.04527	0.4
108.02155	0.4
117.03448	8.1
119.05007	1.6
131.05060	0.6
133.06635	0.6
135.04512	4.0
144.79160	0.3
147.04536	1.3
149.02469	1.4
149.06100	0.6
151.03973	0.4
159.04527	1.2
161.02448	3.9
161.05977	0.4
163.03969	2.4
165.01949	0.4
167.03455	0.7
173.05972	0.5
175.03964	3.0
177.01881	0.6
177.05542	2.3
179.03456	0.7
182.26907	0.3
187.04083	0.4
189.01985	1.4
191.03531	2.6
197.06049	1.2
203.03543	2.0
205.01465	0.5
205.05049	0.8
217.05138	0.5
221.04561	1.5
224.08414	0.4
233.04602	1.6
235.07693	0.4
237.05605	0.6
241.04974	0.3
245.04460	0.5
251.07172	0.4
253.08664	0.7
254.05708	0.4
267.06653	1.6
268.07492	1.3
269.04727	0.5
269.08414	0.4
279.06424	0.6
281.04581	1.6
282.05347	3.3
283.06137	6.6
291.06528	0.4
293.04739	0.7
293.07986	0.4
294.05325	0.4
295.06155	8.3
296.06891	4.1
297.07700	33.8
305.04572	0.5
307.06183	3.0
309.07681	4.2
311.05603	5.7
314.04486	0.4
321.04257	0.4
322.04813	0.6
323.05658	6.7
324.06473	0.5
325.07190	13.0
328.05872	6.0
335.05582	2.2
337.07196	4.9
341.06845	0.6
351.05142	0.7
353.06720	49.5
354.06735	0.4
355.08270	1.3
356.05447	1.9
358.75577	0.4
365.06677	7.8
367.08353	0.4
377.06699	0.5
379.08353	0.4
383.07785	29.3
384.07788	0.6
386.05997	0.5
395.07642	4.7
397.09235	0.5
413.08731	5.0
425.09021	2.4
437.08932	0.5
443.09821	10.5
455.09662	1.5
473.10919	7.2
485.10922	0.6
545.12665	0.5
563.14117	100.0
564.14185	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	563.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98561	1.1
57.03455	2.0
58.00601	1.3
59.01395	75.7
64.05540	1.2
71.01390	57.8
72.99311	2.9
73.02945	7.6
75.00881	1.2
83.01397	1.6
85.02948	13.3
87.00858	13.8
89.02441	77.0
99.00867	1.6
101.02444	38.4
107.67635	1.3
111.00841	1.9
112.98721	1.5
113.02449	24.3
119.03477	9.8
125.02435	1.7
129.01907	10.0
131.03516	2.8
139.00293	1.3
143.03519	3.3
146.04591	1.7
161.04523	11.5
179.05617	34.1
199.43279	1.3
220.94928	1.3
221.03230	2.1
221.06682	47.0
281.08817	2.0
323.09869	3.2
341.10834	6.7
503.16238	100.0
579.84259	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	563.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.7
57.03455	12.3
58.00589	0.9
59.01385	83.5
60.99299	0.8
69.03463	4.0
71.01382	76.5
72.99306	12.0
73.02950	8.9
73.69015	0.6
74.02446	1.0
75.00878	1.4
78.95906	0.9
83.01384	5.6
84.04549	1.6
85.02950	22.6
87.00876	19.5
87.04521	4.6
88.04048	4.4
89.02439	91.0
95.01393	3.8
96.96009	4.0
97.02947	4.5
97.40816	0.8
99.00884	1.4
99.80776	0.7
101.02440	49.6
111.00880	1.6
113.02444	32.6
115.00359	1.6
117.01884	1.1
119.03504	13.9
125.02441	3.4
129.01935	79.7
131.03479	5.8
133.01427	10.9
134.04810	0.8
138.98299	0.8
141.01932	6.6
143.03491	5.9
145.01437	1.1
148.06154	1.4
149.04517	1.4
159.02969	6.9
160.04079	1.5
161.04578	12.5
176.03784	1.3
179.05623	40.1
203.02028	10.3
213.23543	0.8
214.87186	0.9
220.08363	4.0
221.03133	29.6
221.06670	56.6
221.08426	2.4
269.81808	1.0
281.08798	1.6
295.10513	0.8
323.09918	3.3
341.10880	7.6
375.06134	0.8
394.61975	0.9
503.16241	100.0
550.44263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42760	0.6
55.01223	0.6
59.01394	5.7
60.35262	0.6
61.57329	0.7
61.98833	1.2
71.01365	1.3
74.02457	1.1
89.02436	1.3
89.37140	0.8
89.37650	0.7
96.95976	3.0
115.61633	0.6
116.04992	1.2
116.92839	3.0
129.05823	1.2
130.05699	1.3
130.06616	34.0
141.20030	0.8
142.06583	0.9
157.07741	5.2
158.06190	0.9
161.04770	4.4
191.66241	0.8
203.08249	5.5
225.06451	100.0
269.05423	3.0
272.11871	1.8
277.00601	1.0
285.08545	1.3
297.96774	0.9
310.18512	0.8
359.15067	3.5
397.35727	0.8
469.89319	0.8
503.16962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22662	1.1
68.99574	12.6
75.86995	1.2
78.95894	9.5
88.96310	1.3
112.98759	19.7
131.13797	1.5
138.60414	1.5
190.01324	1.8
224.06915	6.8
226.36435	1.4
281.24881	100.0
282.25266	1.8
449.26749	8.0
506.32535	51.2
506.40048	1.8
579.59778	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	564.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54545	0.3
52.63062	0.3
55.01878	0.5
56.16183	0.4
59.01104	0.7
59.01384	12.5
59.72853	0.4
59.99232	0.3
61.98819	0.8
62.51260	0.3
63.98459	0.4
67.56177	0.3
68.24406	0.3
69.03453	0.3
71.01379	10.2
72.00928	0.4
72.99303	5.8
73.02944	1.7
75.58216	0.4
83.01401	0.4
85.02952	2.6
87.00854	0.6
89.02442	10.6
95.01395	0.9
96.95997	0.5
100.72549	0.4
101.02428	7.8
113.02439	4.3
119.03493	2.8
121.02924	0.7
123.04433	0.5
125.02379	0.6
131.03375	0.5
136.00397	4.9
137.01244	0.4
138.01958	5.6
143.03566	0.5
146.06113	0.5
148.00391	3.3
150.01991	0.7
151.99939	0.4
152.03481	0.6
152.65112	0.4
153.04312	2.9
160.04066	0.5
161.04509	2.1
163.02704	1.0
163.99892	100.0
167.02271	0.6
168.00586	0.6
168.06682	0.5
178.01489	0.6
178.05058	1.5
179.02234	97.6
194.04581	63.3
221.06581	1.8
222.04065	11.8
238.97369	0.5
240.05141	1.0
547.40759	0.5
550.60187	0.4
564.15631	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	564.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23610	0.7
59.01105	1.0
59.01383	21.4
61.98830	3.1
62.21124	0.7
65.61929	0.7
78.95895	22.5
94.23516	0.7
96.95974	1.2
120.68020	0.8
152.99590	7.9
168.04330	4.2
224.06927	7.9
242.08160	1.1
265.21729	100.0
279.23303	17.1
460.01517	0.8
490.29471	58.9
491.29761	1.2
507.27441	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	564.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41687	0.3
52.47533	0.2
53.19088	0.2
54.82265	0.3
62.01543	0.3
71.01379	0.4
78.95908	5.7
89.01446	0.8
107.52654	0.3
115.00353	0.8
116.02539	18.3
136.12814	0.3
152.99548	2.9
168.04274	1.4
185.02193	0.4
210.03265	0.4
224.07030	0.6
242.07982	2.3
279.23312	100.0
280.23663	6.8
399.06635	0.3
447.25061	3.0
448.25638	1.3
504.31006	29.8
505.31619	0.4
551.97699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24144	0.4
59.01375	0.4
63.89482	0.3
69.98470	0.4
71.01381	0.5
78.95906	20.1
89.01442	0.4
90.49200	0.4
96.96960	0.5
100.51858	0.4
115.00389	0.7
116.02543	18.7
122.70521	0.5
134.02345	0.5
141.19794	0.5
145.10416	0.4
152.99588	2.7
168.04311	3.7
224.06949	7.3
242.08131	0.9
276.61209	0.4
279.23303	100.0
280.23666	5.1
447.25150	2.2
448.25806	0.6
504.31030	54.4
505.31412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3445
Annotation	Antillatoxin B
Peak:m/z	Relative Intensity
55.83147	0.8
78.95878	1.9
99.92596	1.6
115.92062	1.3
118.97642	1.1
120.77972	1.1
146.59193	1.0
152.86667	1.0
152.99683	1.6
153.13367	1.0
171.10272	1.3
177.04005	1.1
192.68298	1.0
199.04216	1.3
221.54865	1.1
255.23329	1.3
256.23712	1.5
265.21780	1.3
520.72040	1.1
564.34460	100.0
565.34631	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	565.157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71333	0.9
59.01388	18.8
61.98821	5.4
69.66432	1.1
71.01389	15.3
77.04149	1.0
82.95409	4.9
83.01398	1.4
85.02930	1.7
89.02444	13.8
93.03413	1.6
96.96003	5.9
101.02441	5.8
106.85792	1.2
108.02156	5.2
110.09222	1.1
113.02470	2.9
119.05003	2.3
122.02507	1.4
123.04530	2.5
130.08873	1.4
131.05029	2.5
133.02943	1.9
134.03720	2.0
136.01657	39.3
137.02350	1.7
145.02948	5.9
146.03745	56.5
147.04495	5.9
148.05309	94.7
151.04007	45.0
160.04056	2.0
161.02487	2.0
161.04706	2.3
161.06082	19.1
162.03261	1.7
162.05646	4.4
162.06812	1.4
163.04048	2.6
174.03206	7.4
179.05621	1.8
188.03410	1.8
189.05576	7.3
207.06673	16.6
218.02232	56.1
233.04587	67.2
267.06564	1.7
281.08292	1.6
282.08994	4.8
297.11398	7.4
378.01614	1.4
403.10379	100.0
404.10947	5.3
405.13498	1.6
475.12463	2.1
487.55032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72098	0.6
57.03458	2.1
59.01383	14.9
70.05190	0.7
71.01381	14.9
72.99309	4.1
73.02956	1.0
75.00867	14.0
78.95893	2.9
85.02947	19.8
87.00867	5.9
89.02419	5.6
95.01389	1.4
99.00871	7.7
99.92546	0.9
103.00367	2.5
113.02440	17.7
115.00352	1.6
115.92056	0.9
116.92865	1.5
117.01902	2.9
129.01921	1.3
152.99553	1.2
161.84154	0.8
175.02446	1.5
190.08664	0.7
205.07164	0.9
249.06186	1.7
267.07178	3.1
279.23306	59.5
280.23596	3.9
529.30231	100.0
530.30676	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	565.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32511	0.3
57.03462	3.1
59.01379	1.8
66.22265	0.3
71.82152	0.4
78.95877	0.6
97.06618	0.5
98.77340	0.4
99.08164	2.7
113.09726	16.1
116.92852	0.5
126.72823	0.4
139.11290	1.7
152.99660	0.4
155.14400	2.8
167.10794	2.2
169.15796	0.4
171.10286	0.4
177.12874	0.6
179.10794	3.1
195.13972	2.5
225.22252	4.2
249.22211	2.7
253.21748	0.5
255.23004	0.4
269.21069	0.6
271.22809	63.4
272.23105	1.8
275.20166	1.8
293.21271	100.0
294.21631	3.0
350.53577	0.4
363.92175	0.4
387.82773	0.4
393.05112	0.4
403.01053	0.4
448.66324	0.4
530.17786	0.4
565.44672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58036	0.1
53.05058	0.1
59.01373	0.2
61.98832	0.1
62.11647	0.1
71.01387	0.1
76.58083	0.1
78.95896	5.1
79.95726	1.3
80.22182	0.1
84.26548	0.1
96.96000	100.0
96.96893	7.4
108.02170	0.6
136.04048	0.2
152.01126	1.3
255.65086	0.1
256.95825	0.1
415.93008	0.1
566.15631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.0
61.98817	2.1
64.34194	0.4
65.69017	0.4
69.46327	0.4
71.01385	5.0
73.02945	0.6
75.46171	0.4
78.44891	0.4
78.95859	0.4
79.51723	0.4
85.02943	0.6
89.02447	5.7
96.96000	12.3
101.02437	1.6
113.02442	2.0
119.03479	0.6
119.05025	0.9
120.04549	0.8
129.17064	0.4
132.04587	3.5
138.06721	0.4
144.04550	8.4
147.03282	4.5
148.04092	0.8
160.04036	28.8
161.02458	0.6
161.04633	0.9
162.05602	100.0
163.05905	0.8
174.05614	0.7
176.03444	0.6
178.05106	4.1
186.05627	2.2
187.02689	0.8
188.03523	45.4
202.05099	1.0
204.02899	0.5
204.06709	1.1
206.04597	62.4
207.04968	0.8
230.04594	2.5
235.85635	0.5
248.05624	12.3
278.06665	3.0
290.06720	1.0
308.07770	4.8
350.08704	3.8
368.09894	2.3
410.11026	0.7
530.15216	72.3
531.15302	0.9
566.30023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08324	0.5
59.01377	2.7
59.77629	0.5
60.74047	0.5
61.98821	2.4
64.34853	0.5
71.01379	2.6
72.99301	0.7
85.02959	2.6
87.00857	0.6
89.02436	0.6
93.03461	19.1
93.88246	0.6
96.96012	21.4
96.96953	0.6
99.00832	0.8
101.02441	1.4
105.89634	0.5
108.02182	49.9
109.02956	12.9
113.02462	2.2
121.02936	2.6
123.00834	0.7
133.02878	0.8
134.03714	0.7
135.04538	0.9
137.02441	23.2
151.04059	0.9
152.01158	100.0
153.01979	4.2
161.02414	1.2
162.05568	0.6
163.03990	3.8
175.04039	0.8
179.03467	0.7
207.02951	0.6
429.10379	11.6
447.11475	11.2
567.13605	61.6
568.14154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
98.28278	1.2
99.08106	1.3
110.08831	1.1
112.94334	1.2
113.09697	2.7
139.11278	9.6
142.28725	1.2
163.11316	1.5
167.10681	1.3
171.10243	19.3
178.10045	1.2
179.10756	10.2
183.13765	1.3
185.69183	1.4
193.12376	5.1
211.13406	9.3
217.83737	1.3
249.22147	1.3
255.20578	2.6
255.23312	98.4
283.26456	31.3
293.21329	16.9
311.22296	100.0
329.23444	1.3
355.22797	10.3
567.46289	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82798	0.8
56.90005	0.7
63.15358	0.8
72.87344	0.7
84.90244	1.0
97.06579	1.1
98.58186	0.9
99.08138	1.6
113.09736	3.8
132.47722	0.9
133.63843	0.9
137.72205	0.9
139.11243	7.1
163.11325	0.9
165.98564	0.9
170.33220	0.8
171.10254	17.7
179.10835	0.9
183.13905	4.2
193.12321	6.0
209.11938	1.1
209.43312	0.9
211.13414	21.0
221.00325	0.9
227.21497	1.0
229.14470	7.2
255.23303	100.0
256.23685	1.8
267.64261	1.1
283.26437	40.8
293.21240	27.7
311.22305	70.0
312.22739	1.5
329.23352	20.8
359.00894	1.0
367.69049	1.1
567.46375	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89798	1.4
67.75995	1.6
70.44840	1.5
71.76876	1.6
72.94481	1.7
78.56435	1.6
79.11330	1.4
79.38008	1.6
108.45648	1.5
113.09704	2.1
139.11353	2.6
165.12805	2.1
171.10223	15.3
193.12325	3.8
211.13403	18.0
229.14435	9.6
255.23303	100.0
256.23581	3.6
283.26431	13.1
293.21216	35.1
295.94574	2.0
311.22302	88.6
312.22311	2.1
329.23401	25.2
567.46436	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91048	3.8
67.46712	4.4
73.85465	4.4
127.11352	5.6
131.54362	4.4
139.11296	7.1
139.74091	4.8
171.10271	59.8
199.25591	5.2
201.11285	7.5
255.23294	79.0
293.21213	5.5
311.22308	100.0
318.79956	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	568.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.1
57.03460	2.2
57.74671	0.7
59.01402	6.7
59.60363	0.8
61.82372	0.7
61.98843	44.4
63.21561	1.0
63.42960	0.8
68.99831	1.1
69.03458	5.6
71.01379	16.1
72.99320	1.1
73.02939	0.9
74.83772	0.8
75.00875	8.7
78.95907	16.9
83.01394	5.7
85.02950	17.0
85.49712	0.8
87.00878	4.5
89.02432	3.6
91.04008	1.6
95.01377	4.4
99.00871	15.0
99.92593	1.7
108.91617	0.8
110.98529	1.9
111.00930	1.5
113.02435	21.9
116.02560	1.0
117.02042	1.6
118.89996	1.5
131.03499	2.0
139.16331	1.0
155.95241	1.2
157.28017	1.2
165.76163	1.0
167.01050	0.9
176.09035	1.0
177.34727	0.9
178.88499	1.5
179.89211	5.7
181.90767	2.3
189.08450	1.0
193.90814	12.4
194.91557	1.2
195.92493	1.4
196.89458	8.4
212.88031	1.0
231.51129	0.9
249.06184	9.7
249.93500	1.6
255.23296	83.6
267.07321	4.0
281.24820	11.9
282.25217	5.6
336.24591	1.0
379.50323	1.0
505.30246	100.0
532.19037	17.9
533.19250	3.7
594.93988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82766	1.1
59.01382	1.3
61.98827	1.5
72.99290	5.3
75.00861	100.0
78.95881	1.6
84.68885	1.1
92.12357	1.2
92.80911	1.5
128.05080	1.8
130.06604	21.7
135.69264	1.1
146.06113	82.0
156.04565	2.6
157.32736	1.2
160.01573	1.3
161.04552	6.3
172.04042	31.2
174.05566	28.7
190.05066	5.2
194.63350	1.2
198.73473	1.3
318.09790	7.5
343.97122	1.1
348.27393	1.4
491.14468	5.1
493.16031	1.3
586.63318	1.4
595.13977	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29594	0.1
54.49244	0.1
59.01377	0.3
73.02940	3.0
75.00840	0.2
78.53320	0.1
83.49107	0.1
87.00827	0.1
89.02482	0.2
99.00855	1.3
99.92577	6.0
100.98685	0.1
116.07170	0.5
116.92850	100.0
117.01926	5.3
117.05548	0.2
117.92864	1.5
119.05022	0.3
166.02701	0.1
176.92245	0.1
451.33051	0.2
533.22900	0.3
569.20477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83633	0.5
58.73642	0.5
59.01371	1.2
61.98820	0.7
78.95901	61.2
96.96953	13.9
105.91610	0.6
117.04671	0.5
132.98318	0.6
150.97993	0.8
152.99590	92.3
157.12349	1.3
165.31497	0.6
171.00623	2.5
174.99226	2.1
223.00179	11.8
241.01205	25.3
253.21741	98.1
254.22005	1.4
259.02380	1.1
273.10251	1.3
299.11658	1.1
315.04889	13.3
333.06018	0.8
383.17477	0.9
397.22577	1.1
411.20651	9.1
509.31790	10.2
527.19067	0.6
569.27411	100.0
570.28046	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	571.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.3
73.02949	1.5
74.25943	0.2
76.05534	0.3
78.95887	0.2
88.49455	0.2
92.11623	0.2
94.53534	0.2
94.69246	0.2
99.00862	1.2
99.92576	7.4
114.93442	0.2
116.92853	100.0
117.01935	2.4
117.38894	0.2
117.92899	1.7
134.03758	0.8
166.06711	0.2
169.87132	0.2
332.08487	0.3
343.58392	0.3
516.81171	0.2
560.48828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.7
61.98833	1.4
64.17561	1.0
70.56989	1.1
70.94024	1.2
70.97007	1.2
71.01377	5.8
78.60056	1.0
78.95908	20.3
83.15709	1.3
86.78136	1.1
87.00870	1.6
89.02457	1.7
95.88185	1.2
96.95999	2.7
96.96974	1.9
101.02406	2.0
113.02454	1.8
129.60658	1.2
132.04541	5.1
134.03732	5.2
134.06180	1.8
144.04530	27.3
146.06104	2.6
147.03282	6.8
148.04149	1.7
149.04916	1.7
149.06128	4.9
158.06064	1.5
159.03241	2.8
160.04028	51.9
161.04820	5.9
162.05603	100.0
174.05620	4.7
176.04866	2.8
176.07187	1.9
178.05081	2.8
178.18976	1.2
186.05579	5.4
187.02705	2.5
188.03532	83.1
190.05075	2.8
202.05148	5.0
204.06679	13.0
206.04581	21.5
220.06174	22.1
228.06561	1.5
230.04674	10.1
241.01363	1.5
247.04874	1.8
248.05650	26.7
274.09769	1.5
290.06750	11.9
349.20145	2.3
350.08868	33.1
479.92508	1.4
571.15601	7.7
571.25031	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	571.2892
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
56.34415	0.3
78.95897	70.3
80.70580	0.3
84.70053	0.4
88.54421	0.3
89.95302	0.3
96.96952	14.6
134.98650	0.4
150.97993	0.8
152.99583	62.8
186.43797	0.4
223.00174	2.2
232.78853	0.4
240.98650	0.8
241.01190	33.1
255.23308	92.3
315.04904	7.6
320.93768	0.4
333.05975	0.4
391.22577	3.3
474.03604	0.4
571.28961	100.0
572.29419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	76.4
80.87780	0.4
83.34348	0.4
86.32854	0.5
92.11739	1.6
96.96944	18.8
111.40716	0.5
116.03743	0.5
121.10368	0.4
134.98558	0.6
150.98030	0.7
152.99579	71.3
202.63864	0.4
223.00084	3.3
241.01190	33.8
255.23288	97.7
256.23532	1.0
259.02328	0.7
315.04874	8.5
382.87366	0.5
391.22690	5.0
537.03625	0.5
550.67969	0.5
571.28925	100.0
572.29291	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98488	0.1
59.01377	0.5
64.71661	0.1
70.11314	0.1
76.58978	0.1
78.95900	6.0
87.28650	0.1
87.48078	0.1
93.61457	0.1
96.96958	1.2
121.19485	0.1
131.27623	0.1
131.96391	0.1
151.43184	0.1
152.99583	6.3
153.99944	0.2
155.00035	0.2
157.12335	100.0
158.12650	0.9
171.00656	0.9
223.00212	1.1
225.59673	0.1
234.03296	0.1
241.01147	1.2
253.21838	0.6
254.22054	0.4
255.23318	1.2
283.74512	0.1
333.05923	0.2
535.35767	0.1
551.21252	0.1
571.28723	5.7
572.29395	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	571.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40335	0.2
63.33302	0.2
79.37063	0.2
87.20914	0.2
87.83813	0.2
101.44572	0.2
110.13414	0.3
116.92915	0.2
117.31124	0.2
129.70844	0.2
241.21747	100.0
242.22128	2.5
529.96893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1369
Annotation	Anigorootin
Peak:m/z	Relative Intensity
54.82085	0.9
56.45586	0.8
57.51933	0.8
59.01388	2.1
60.10536	0.8
61.98836	1.4
71.01392	2.2
73.02923	1.0
91.01894	30.1
94.30811	0.9
96.96016	9.2
108.04568	1.6
111.12274	1.0
112.40637	0.8
116.92853	4.6
119.05006	1.1
132.04550	5.1
134.02469	15.7
134.06117	11.3
135.04607	1.0
137.02428	1.0
144.04596	3.8
147.03256	1.9
150.05609	18.6
159.03244	2.1
160.04041	88.5
161.04691	1.1
162.01970	100.0
162.05602	49.3
176.03531	5.9
178.05083	6.5
188.03581	11.3
202.05174	3.4
204.03093	7.4
204.06604	3.7
206.04575	18.5
222.04086	22.2
230.04665	3.9
248.05640	5.9
290.06708	2.3
350.08853	14.1
366.08578	1.0
410.10764	1.1
513.11713	4.8
573.13416	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	573.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04809	0.2
54.15507	0.2
54.82638	0.2
55.01877	0.4
59.01391	22.6
62.57093	0.2
64.34402	0.2
64.56356	0.2
71.01385	3.2
73.02930	1.1
78.42568	0.2
78.95884	0.4
80.74276	0.2
83.01374	0.3
85.02966	0.8
87.00875	0.2
89.02441	3.7
99.00880	0.2
101.02435	4.3
103.03993	0.4
103.97822	0.2
112.87769	0.2
113.02440	1.9
116.92827	0.5
119.03482	0.9
127.07633	0.2
143.03525	0.4
148.20126	0.2
149.60410	0.2
161.04572	1.0
161.20837	0.2
179.05617	0.3
194.00783	0.3
221.69780	0.3
235.08223	1.3
252.83691	0.2
253.09280	12.5
259.20578	0.3
275.20230	0.3
277.21716	100.0
278.22009	3.7
279.23242	1.2
280.23502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28490	0.2
59.01385	17.5
60.11634	0.2
71.01377	2.8
71.76303	0.2
73.02933	1.2
78.95901	0.6
83.01385	0.3
85.02958	0.4
87.00866	0.3
89.02442	3.2
101.02441	2.9
107.55692	0.2
113.02430	1.2
116.92846	0.4
119.03524	0.4
133.05060	0.3
138.81953	0.2
143.03522	0.3
158.18422	0.3
161.04561	1.5
162.93140	0.3
179.05597	0.3
202.87665	0.2
205.50208	0.3
209.00533	0.3
235.08205	1.2
253.09306	10.1
259.20590	0.3
277.21735	100.0
278.22098	1.9
279.23251	1.3
343.03140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89006	0.2
59.01381	0.6
61.98837	1.0
64.80672	0.2
69.94260	0.2
71.01405	0.3
92.12413	0.3
96.08267	0.2
96.96004	0.4
107.07190	0.2
108.02166	0.4
109.85612	0.2
119.01374	0.3
119.05030	2.0
120.04557	3.2
121.02950	0.3
123.04520	0.3
128.03534	0.4
132.04562	1.2
134.02469	0.4
134.03679	0.4
134.06116	2.5
143.04602	0.4
144.04568	2.9
145.02972	0.3
146.06155	0.3
147.03265	8.1
149.02444	1.6
151.04059	0.3
152.01181	0.9
160.01765	0.9
160.04028	13.2
162.05611	100.0
163.05952	0.4
164.04784	1.0
167.03522	1.2
175.00404	2.5
175.04016	0.5
178.05089	0.5
188.03542	9.4
190.02711	6.5
190.05255	0.3
191.03534	0.9
205.05077	6.9
206.04602	51.9
207.04845	0.4
220.06149	0.3
223.06113	1.2
246.61021	0.3
272.08768	0.3
306.07648	1.0
353.08939	1.3
367.10278	2.9
368.09857	5.2
387.10504	0.3
427.16083	0.3
428.16501	0.3
556.19006	0.4
574.15607	9.0
602.72711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20360	0.2
59.01389	0.3
61.98541	0.3
61.98837	6.2
67.68356	0.2
68.56631	0.2
71.01366	0.4
98.63046	0.2
108.04552	0.3
119.01399	0.3
119.04998	1.8
120.04556	2.5
129.49294	0.2
132.04556	0.9
134.02493	0.2
134.06152	2.9
143.04742	0.2
144.04593	3.1
146.06183	0.3
147.03271	6.9
149.02428	1.5
151.04050	0.2
160.04042	13.3
161.04817	0.3
162.05612	100.0
163.03915	0.2
163.06021	0.7
164.04820	1.4
175.00336	2.6
175.04027	0.4
176.01149	0.9
178.05164	0.2
188.03540	8.1
190.02727	6.4
191.03546	0.4
205.05078	5.8
206.04599	51.0
207.04900	0.4
209.04593	0.3
220.06157	0.3
223.06113	1.1
291.85944	0.2
301.67996	0.2
350.08789	0.8
353.08813	1.2
367.10437	4.0
368.09918	4.1
382.11688	0.2
417.75220	0.2
530.34766	0.2
574.15668	9.2
574.24957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.8
61.98847	0.5
69.03447	1.0
82.95412	3.0
93.03458	0.7
98.04242	0.5
117.03457	14.2
119.05012	100.0
121.02946	28.7
128.03470	0.7
145.02945	52.2
145.06596	0.9
146.03247	0.8
147.04512	1.3
147.08069	0.8
163.04001	86.3
191.03470	6.3
219.06656	6.7
237.07661	5.2
353.93796	0.7
371.44620	0.7
383.11383	95.9
384.11655	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	575.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52722	0.4
53.04313	0.4
54.23892	0.5
55.01887	0.8
57.03462	0.5
58.00599	2.1
59.01386	63.3
63.97809	0.5
64.02573	0.4
71.00988	1.2
71.01382	32.0
71.05032	1.0
72.99314	2.9
73.02946	1.0
74.97594	0.5
78.95927	0.8
83.01391	2.2
84.17452	0.5
85.02952	8.6
87.00862	1.2
88.75240	0.5
89.02438	37.8
95.01386	2.6
96.95990	5.2
96.96954	1.0
99.04521	2.3
100.09165	0.5
101.02444	21.4
113.02438	14.1
115.03973	2.0
117.05553	0.7
119.03495	17.8
129.25479	0.6
131.03508	1.1
142.05104	0.7
143.03543	5.7
149.04575	0.9
149.64880	0.5
153.01588	0.6
154.95909	0.6
156.94553	0.6
161.04578	8.7
161.08250	0.9
179.05597	0.9
279.11264	0.8
295.10214	0.7
299.53146	0.5
323.13495	100.0
324.14014	0.6
557.21674	0.6
575.22742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55865	0.1
52.62021	0.2
53.17026	0.1
55.01872	0.3
56.27639	0.1
59.01384	13.3
62.74938	0.1
71.01379	2.8
72.10418	0.2
73.02937	1.0
78.49970	0.2
78.95895	0.8
83.01369	0.2
85.02946	0.4
87.00874	0.4
89.02447	2.9
92.12366	0.4
101.02432	2.8
113.02445	1.8
116.92831	0.3
117.23640	0.2
119.03479	0.9
143.03412	0.3
145.02736	0.2
161.04558	1.1
198.36559	0.2
207.78580	0.2
235.08208	1.2
253.06624	0.3
253.09303	9.7
255.23317	1.3
261.22241	0.2
274.15805	0.2
279.23294	100.0
280.23669	3.3
423.25067	0.2
428.35385	0.2
478.53778	0.2
550.11139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33298	0.1
58.16145	0.1
59.01389	18.0
60.51407	0.1
71.01389	2.9
73.02942	0.9
78.17592	0.1
83.01373	0.2
85.02945	0.6
88.36382	0.2
89.02443	2.9
96.36030	0.1
101.02444	3.1
104.89397	0.2
113.02452	1.3
119.03500	0.9
143.03548	0.2
161.04546	1.0
179.05637	0.2
235.08224	1.4
248.66493	0.2
253.09317	11.0
255.23305	0.2
260.88779	0.2
261.22305	0.4
279.23315	100.0
280.23676	2.7
387.95755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15515	0.7
59.01395	0.8
61.98838	0.9
62.16951	0.7
78.95896	100.0
85.18632	0.9
92.12345	1.1
92.65758	0.9
96.95991	4.8
96.96941	4.9
98.95570	3.7
98.97578	0.9
99.92564	15.9
99.93163	1.3
100.93309	1.0
101.57817	0.8
107.12024	0.8
114.94912	8.9
115.92058	16.5
116.92855	8.4
130.06517	0.8
137.99655	0.9
140.01158	1.0
141.96002	12.0
150.98029	4.5
152.99579	61.8
163.89680	1.7
171.00656	0.9
178.88440	1.1
179.89191	25.6
180.90027	10.9
181.90703	6.2
184.01147	0.8
192.00739	1.3
196.89490	41.5
198.29474	0.9
204.92374	2.1
205.90752	1.2
205.93114	1.7
222.93799	0.9
235.91786	9.1
236.92607	1.3
277.95233	1.8
279.23303	33.8
279.26434	1.4
352.72604	0.8
376.96466	0.9
433.23779	4.5
459.12726	1.4
499.15732	4.8
516.15918	6.2
533.16168	1.1
540.18396	12.8
558.19379	9.0
572.17896	1.6
576.20435	42.7
577.20276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	20.0
61.92016	0.1
71.01353	0.1
78.95899	7.5
85.38323	0.1
96.26424	0.1
98.17974	0.1
110.93500	0.1
152.99602	1.3
166.04353	0.2
168.04338	1.8
194.81674	0.2
202.90611	0.2
224.07005	0.9
233.22800	0.3
242.08009	3.1
259.20715	0.4
275.20267	0.3
277.21735	100.0
278.22052	3.1
502.29477	35.3
503.29840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	28.4
71.01357	0.2
78.95899	28.1
83.05036	0.3
89.20433	0.2
90.65215	0.2
96.96938	0.3
104.29822	0.2
122.98504	0.3
152.99583	4.6
159.06291	0.2
168.04305	4.7
172.35725	0.2
224.04755	0.4
224.06944	10.3
233.22810	0.5
242.08028	2.5
259.20627	0.3
275.20206	0.8
277.21729	100.0
278.22147	2.5
284.57935	0.2
491.24719	0.2
502.29456	70.6
503.29770	3.1
517.37787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.9
59.66938	1.2
61.98824	2.2
71.01365	2.4
72.99280	1.4
82.95390	1.4
84.95119	5.5
85.02960	2.2
88.81173	1.7
89.02418	1.3
93.03446	46.7
96.96005	3.1
101.02438	1.7
117.03448	7.5
119.05015	100.0
120.05363	1.5
137.02434	64.0
145.02937	26.9
160.04065	2.3
161.02438	5.1
162.01984	3.3
162.05623	5.6
163.04007	86.5
164.04375	1.5
201.39677	1.5
206.04607	1.9
293.04538	20.4
311.05463	2.0
413.10992	11.3
431.12173	2.5
492.06439	1.7
577.15625	23.2
577.63342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.157
Annotation	Isovitexin 6'-O-rhamnoside
Peak:m/z	Relative Intensity
50.63381	0.7
52.37745	0.7
57.37308	0.9
58.94276	0.8
59.01369	4.4
61.98818	6.0
71.01360	4.8
75.89071	0.8
87.00908	1.0
89.02482	1.3
101.76978	1.0
119.05024	2.1
123.04507	0.9
125.02447	0.9
133.02917	11.9
134.03717	6.1
135.04477	4.8
137.02437	1.9
144.04556	2.1
145.02963	1.8
146.06148	3.9
149.01164	3.8
149.02455	2.1
152.01143	1.1
160.03990	5.4
161.01117	1.1
161.02435	30.6
162.05598	13.9
163.05927	1.4
163.99786	1.3
175.03976	4.2
177.01949	4.1
179.03500	3.7
188.03523	4.1
190.05165	2.1
190.17465	1.1
191.03448	2.0
193.04990	1.6
194.04590	1.5
206.04593	5.1
231.27420	0.9
239.07419	1.0
269.04599	1.9
283.06003	2.0
284.06461	1.2
297.04065	1.4
298.04822	6.0
299.05542	3.6
310.04745	1.5
311.05673	24.4
312.06442	55.2
313.07080	3.3
323.05499	6.6
327.05157	2.0
327.08701	1.2
338.04514	1.6
339.05276	7.3
341.06702	6.0
344.05273	2.2
353.06677	4.5
355.08176	3.6
357.61288	1.1
369.06406	1.6
383.07825	34.0
386.06143	1.3
395.07782	4.5
413.08850	22.5
415.12314	5.1
425.08878	4.2
443.10040	4.9
473.10812	4.1
487.12311	4.6
503.11798	1.8
506.92416	1.1
517.13904	1.3
533.12750	1.0
559.14294	1.2
577.15656	100.0
578.15961	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
57.39877	0.6
59.01108	1.4
59.01384	26.2
61.98834	18.7
71.01382	18.6
72.99319	1.4
73.02930	1.8
76.39835	0.7
83.01392	1.6
85.02950	7.1
87.00926	2.4
89.02447	21.2
93.03454	1.3
95.01341	1.0
96.95998	1.8
99.00876	1.0
99.30992	0.8
101.02441	11.5
113.02452	9.4
118.16231	0.8
119.03482	5.8
122.38146	0.7
132.02147	13.5
133.02928	4.3
134.03748	11.6
135.04526	3.7
135.28310	0.8
136.01541	0.8
137.02444	4.5
138.05594	1.5
138.06807	1.0
139.07591	1.6
143.03496	0.9
149.06093	0.9
160.01660	81.2
161.02452	6.7
161.04539	1.6
175.03998	100.0
177.01880	0.9
179.03490	1.5
179.05620	1.3
191.10750	12.1
193.05034	14.4
206.04518	1.1
221.06621	3.2
337.09222	1.6
341.10934	3.2
492.19388	0.9
517.15698	47.5
518.33435	0.9
577.21643	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	577.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
59.01109	0.6
59.01386	15.0
61.98817	1.0
70.37054	0.4
71.01378	14.0
72.99292	1.7
73.02929	2.3
73.38390	0.4
75.27646	0.4
83.01387	0.5
85.02945	3.1
87.00876	5.8
88.98804	0.6
89.02435	10.7
89.03921	0.7
96.43827	0.4
96.96003	0.5
99.00890	0.9
101.02444	8.2
104.50581	0.4
107.92368	0.4
113.02433	6.6
116.05067	1.0
116.92094	0.7
116.92857	13.7
117.03483	4.2
119.03470	2.1
123.10468	0.5
125.02441	0.7
131.03441	0.5
132.01279	0.7
132.02187	11.7
133.02942	2.9
134.03731	68.1
135.04453	1.0
137.02393	2.2
143.03532	0.7
144.04584	0.5
146.06122	1.9
147.04495	2.6
148.05292	1.9
149.06075	10.3
160.01659	76.8
161.02121	1.1
161.04553	0.9
173.06027	0.6
175.03999	100.0
176.04712	5.8
177.01883	1.8
177.05455	0.4
178.02686	5.9
179.03430	0.7
190.05112	0.9
191.07144	7.6
193.05067	63.3
194.05417	0.8
195.06644	0.7
203.08333	0.9
204.08574	0.8
205.05301	0.5
207.06613	3.2
217.05112	0.8
220.03769	1.9
235.06136	21.6
241.40051	0.6
265.07315	3.9
283.06110	1.7
295.08261	6.4
298.04742	0.5
300.96732	0.4
305.84720	0.5
311.05731	0.5
323.09824	0.7
334.09448	0.6
337.09467	4.1
337.71405	0.7
355.10379	2.9
369.06216	0.7
429.08142	0.6
517.15680	96.9
518.16162	3.7
577.11639	6.0
577.19806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
63.96253	1.2
71.01382	9.8
73.02959	2.0
78.98602	8.0
79.95740	13.3
80.36663	0.8
80.96521	97.3
85.02940	4.2
87.00878	1.9
91.03969	0.9
94.97533	1.0
94.98084	21.7
96.95997	10.5
97.02956	1.7
101.02441	1.5
106.98080	4.5
108.52066	1.0
122.84050	1.0
122.97571	7.2
125.02409	3.2
130.75003	0.7
133.46732	0.9
134.97559	7.6
136.99181	1.0
148.78227	0.9
148.99132	8.7
152.98633	7.6
164.98619	17.3
182.99683	1.1
206.99622	3.4
225.00722	19.9
229.20616	1.0
243.01840	1.6
261.26718	1.0
265.14767	6.0
277.21765	1.9
299.04462	5.0
343.01321	0.8
577.26935	100.0
578.27637	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	577.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75715	1.2
59.01384	3.3
64.42615	1.6
65.97715	1.3
71.01365	1.8
84.04542	2.3
86.02475	15.5
104.97370	1.7
120.01247	7.4
120.12122	1.4
127.08809	9.9
128.03537	100.0
153.06721	3.6
162.05644	3.1
171.07773	39.0
175.54845	1.5
188.03572	1.5
190.02809	2.2
190.05164	2.3
201.11464	2.2
205.05246	2.2
206.04691	2.0
213.11382	1.8
215.06720	5.8
215.51627	1.7
231.04510	3.5
249.05531	61.6
327.21548	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	577.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49221	0.2
53.04374	0.2
55.01889	0.2
57.03420	0.2
57.06522	0.2
59.01385	16.7
59.68137	0.2
71.01382	2.3
73.02948	0.4
78.95883	0.3
82.13871	0.2
83.01384	0.4
85.02960	0.7
87.00894	0.3
89.02451	2.8
89.88981	0.2
101.02415	2.9
113.02431	1.1
113.97901	0.2
119.03468	0.9
124.73979	0.2
131.03468	0.3
134.89488	0.5
138.83578	0.2
150.91945	0.2
161.04547	1.0
168.61937	0.2
179.05673	0.3
235.08240	1.2
253.09308	9.3
281.24863	100.0
282.25125	2.2
517.33771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81297	0.3
58.91270	0.3
59.01394	15.9
61.98831	0.5
65.88016	0.3
71.01379	3.4
73.02927	0.6
85.02937	0.4
89.02441	2.7
91.30436	0.3
101.02431	2.6
113.02427	1.4
116.92831	2.6
119.03482	0.8
152.37151	0.4
161.04507	0.7
196.30385	0.4
235.08214	0.4
253.09300	9.7
279.23022	0.4
281.24860	100.0
282.25223	1.9
351.88550	0.4
419.69217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4243
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
51.01168	0.3
54.82465	0.3
59.01366	0.8
60.93045	0.3
71.01381	0.3
81.17153	0.3
92.65464	0.3
105.96576	0.3
120.93224	0.3
193.90685	0.3
233.22733	0.6
257.54367	0.4
259.20633	0.8
275.20456	0.5
277.21725	100.0
278.22131	2.6
299.25800	0.6
541.97131	0.4
564.83966	0.3
577.42432	52.7
578.42535	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	578.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82684	0.8
58.78555	0.8
59.01381	1.9
61.98807	1.5
62.14209	0.8
62.93794	0.8
71.01375	7.8
73.02930	1.0
82.21019	0.9
85.02927	4.2
92.12767	0.9
101.02434	4.1
113.02437	1.9
120.61459	1.0
122.02473	100.0
123.03270	17.8
138.05605	77.7
144.04550	2.3
146.06143	1.2
147.00941	1.3
147.04536	1.3
149.02444	22.0
155.02190	2.4
160.03984	2.4
162.03140	1.2
162.05595	12.1
163.03964	1.7
163.05844	1.1
164.04788	21.8
166.05060	3.9
172.03935	1.5
175.00336	21.9
179.07164	1.6
188.03487	4.2
189.01752	1.0
190.02715	87.6
191.03232	1.0
193.01414	1.1
201.54263	1.1
205.05075	88.9
206.04596	2.1
208.03787	2.1
210.03993	1.2
223.06165	17.7
239.08063	1.0
351.86896	1.1
352.07907	1.4
367.10379	91.3
368.10849	1.3
372.09143	1.9
475.48471	1.1
506.16696	16.1
578.14960	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	578.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92520	0.7
59.01146	0.6
59.01383	9.8
61.98818	3.1
65.05549	0.7
65.85097	0.8
69.86015	0.7
71.01379	3.7
74.02441	0.8
85.02927	1.0
86.57632	0.7
89.02432	1.7
92.12411	0.8
96.96000	1.2
101.02434	3.7
104.85821	0.7
109.07057	0.7
109.68924	0.9
119.03495	1.1
119.05022	0.9
120.04540	1.1
128.03525	0.8
132.04532	7.1
132.68822	0.9
134.03752	1.5
134.06078	0.9
143.04613	1.6
144.04570	8.3
146.06110	4.3
147.03273	5.2
148.04108	1.2
160.04033	37.0
162.05600	100.0
163.05923	1.0
178.05080	5.2
186.05603	1.2
188.03529	45.0
190.05119	3.2
206.04594	44.2
209.11801	4.9
230.04593	1.8
241.07410	0.9
248.05659	6.3
306.07663	1.6
312.06271	0.8
389.18149	1.4
418.25589	0.8
440.91449	0.8
443.02078	0.8
578.22552	62.7
579.23724	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	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93954	0.1
52.29959	0.1
55.66190	0.1
59.01385	16.4
62.37040	0.1
75.54129	0.1
77.49451	0.1
78.85685	0.1
78.95895	6.0
90.82409	0.1
96.96974	0.1
112.88809	0.1
152.99577	1.7
168.04321	1.4
213.85704	0.1
224.06960	0.9
225.46036	0.1
242.08009	2.2
256.84500	0.1
261.22223	0.5
279.23297	100.0
280.23624	1.5
424.65637	0.1
504.31000	30.5
505.31293	0.6
526.71906	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	578.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26245	0.3
53.92759	0.3
55.61744	0.4
59.01385	21.1
62.39378	0.4
74.86246	0.4
78.95899	22.0
112.19523	0.5
118.70886	0.5
152.99567	3.4
168.04312	3.2
224.06956	9.1
241.15643	0.4
242.08102	0.9
279.23288	100.0
280.23694	0.8
337.49994	0.4
504.31000	71.0
505.31335	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	578.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90720	0.7
61.98842	100.0
70.76156	0.7
71.17869	0.7
100.60885	0.7
104.22614	0.8
149.86597	0.9
163.11293	17.2
177.12852	1.7
201.92070	0.8
208.11142	2.9
282.16345	3.1
283.16977	3.9
303.04153	0.8
339.23309	58.0
351.23196	6.0
363.31168	0.7
474.32867	0.8
514.81702	0.8
515.35358	53.3
516.35724	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	579.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.8
61.98833	2.0
71.01377	6.7
72.55946	0.9
72.99310	1.8
73.02934	1.5
85.02943	4.9
89.02436	1.6
89.03918	1.7
93.03429	18.6
96.95984	2.1
99.00887	1.5
101.02374	1.2
108.02209	6.8
109.02927	7.2
113.02414	4.4
114.93362	1.8
117.03455	9.1
119.05013	6.3
121.02914	1.1
121.06544	1.1
132.02222	1.6
134.03726	100.0
135.04494	1.9
137.02435	26.5
144.04539	1.9
146.06136	2.3
149.06049	9.6
160.01622	9.6
160.03989	4.6
161.02409	1.0
161.04439	1.6
162.05582	10.8
163.04012	5.4
165.05568	8.8
166.36549	1.0
167.03467	1.1
175.04028	12.2
178.02745	5.7
188.03464	7.5
190.05086	1.4
192.18216	1.0
193.05043	84.8
194.05298	1.2
206.04593	4.8
358.26294	0.9
403.11862	1.1
426.38785	1.0
441.13919	2.0
459.14908	1.7
533.22705	2.3
579.16492	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	579.209
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
55.53548	0.5
59.01383	5.3
61.98832	0.9
71.01371	3.8
82.75430	0.4
85.02945	2.0
89.02445	3.4
89.15498	0.5
92.11846	2.2
92.12375	1.0
95.01429	0.5
101.02437	2.3
109.02942	3.4
111.00848	0.7
113.02448	0.8
119.03493	0.8
119.05006	0.9
121.02927	0.9
123.00878	2.9
123.04462	0.7
125.02490	0.7
134.03731	0.8
135.04532	0.6
137.02429	16.1
139.04050	0.6
144.04539	2.1
145.02904	0.6
146.06111	3.8
149.02472	2.4
151.00366	21.3
151.04031	2.6
152.01172	3.4
152.04784	2.9
159.04482	0.5
160.04051	3.2
161.02412	1.0
161.04451	0.9
162.05592	8.1
163.03978	0.8
163.05971	1.1
165.01910	1.2
166.02704	84.5
167.03453	3.8
175.04034	2.3
177.01871	5.2
178.02739	0.9
179.03426	0.6
181.05061	87.3
184.03787	2.1
188.03528	3.0
190.02785	0.6
190.05025	0.9
191.03494	1.1
192.04214	1.1
193.05081	1.3
195.03084	0.6
196.90794	0.5
205.05087	2.2
206.04613	3.3
207.06644	2.2
209.04570	0.9
224.83032	0.6
265.43491	0.5
316.09741	0.7
329.10400	0.6
359.11395	3.4
387.10886	22.8
402.13156	8.4
417.15585	100.0
418.16095	1.1
579.21558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59324	0.3
52.27859	0.3
55.56348	0.3
57.03437	0.5
59.01366	0.9
63.96241	0.8
64.18349	0.4
69.03411	0.5
71.01378	7.6
73.02924	1.9
78.98595	6.1
79.95737	11.1
80.96513	74.8
85.02938	3.4
87.00855	3.3
94.98078	16.5
96.95996	0.9
97.02930	1.8
101.02421	3.3
106.98081	3.7
113.02451	0.7
120.09993	0.4
122.97575	5.3
125.02422	3.6
127.04002	0.5
134.97595	5.3
136.99083	1.4
144.49806	0.5
148.99142	7.3
151.22113	0.5
152.98610	7.2
164.98625	12.1
166.25978	0.5
206.99716	1.8
218.12154	0.4
225.00774	16.5
279.23355	3.6
299.04474	2.8
436.61194	0.5
480.40833	0.5
569.90668	0.5
579.28522	100.0
580.29065	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.3
61.98828	0.2
65.29693	0.1
78.95897	5.9
84.95124	0.1
96.96980	0.2
104.59122	0.1
152.99600	1.3
168.04303	1.4
224.06999	0.9
242.07962	2.2
281.24872	100.0
282.25168	1.4
345.78125	0.1
352.69073	0.1
506.32532	28.4
507.32965	0.5
574.92853	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89611	0.2
59.01384	21.2
70.33567	0.3
74.02327	0.3
78.95898	20.8
92.11761	0.6
92.39489	0.3
107.27992	0.3
116.04437	0.3
125.75461	0.3
132.14938	0.3
152.99611	3.6
158.80521	0.3
168.04298	3.6
224.06947	6.9
242.07954	1.3
281.24863	100.0
506.32532	62.6
507.32904	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87365	0.4
55.68937	0.4
59.01393	1.9
61.98839	1.6
65.00337	0.8
71.01389	2.2
72.99310	1.0
85.02970	0.7
85.37400	0.4
91.01894	7.9
93.03452	75.2
95.01379	0.9
96.95971	0.4
101.02457	0.5
108.02174	20.4
109.02935	0.6
111.00887	0.6
113.02401	0.6
116.92859	0.6
123.00914	0.6
123.04515	35.2
124.01655	0.4
131.45210	0.4
137.02440	81.8
152.01154	48.9
162.05580	0.6
167.03494	100.0
168.03786	0.5
413.10971	27.5
413.16479	1.0
414.11517	0.6
467.49808	0.5
505.15134	0.5
507.57584	0.4
581.15021	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	581.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64880	0.5
59.01375	1.6
61.98832	21.1
71.01357	1.7
72.99308	1.5
73.02931	0.6
85.02940	1.0
87.51871	0.6
89.73318	0.8
93.03447	80.0
96.96004	3.2
101.02424	0.7
108.02168	28.2
113.02433	1.4
122.04551	0.7
123.04506	15.9
133.02917	1.2
137.02434	100.0
152.01146	54.6
161.02429	4.4
162.05496	1.1
165.01959	0.9
167.03481	77.4
180.04306	0.8
181.05524	0.9
191.69447	0.8
193.05014	0.9
195.06601	0.7
378.68503	0.7
443.11920	36.3
461.12616	1.0
581.15155	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	581.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82981	0.3
69.93845	0.3
88.98802	0.5
92.65973	0.3
93.03439	0.5
117.03484	2.8
119.05022	100.0
120.05334	0.6
121.02983	0.5
145.02989	2.7
151.03996	0.7
161.02470	5.8
163.04010	50.4
176.04800	3.5
177.02016	1.3
177.05659	0.4
179.03511	8.6
191.07167	0.7
192.04289	0.7
194.05838	7.1
207.06674	0.7
209.08174	4.8
265.87341	0.3
371.11658	0.6
420.01877	0.3
581.20404	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	581.2034
Annotation	Rhusemialin A
Peak:m/z	Relative Intensity
51.16933	0.2
54.36059	0.3
61.98820	1.2
63.81882	0.3
66.88450	0.3
71.01375	0.3
71.06214	0.3
85.69920	0.3
88.98792	0.6
93.03438	2.0
110.11857	0.3
117.03459	25.7
118.03735	0.4
119.05020	100.0
120.05352	1.6
121.02935	2.1
123.00894	1.5
135.64088	0.3
137.02411	0.8
138.03253	0.6
139.00322	0.5
145.02960	56.5
147.04552	0.4
151.00380	6.3
151.58356	0.3
152.01112	2.6
153.01837	0.3
157.12306	0.4
161.02481	0.6
162.03203	0.4
163.04013	76.1
164.01033	0.3
164.04417	0.6
165.01979	2.6
165.05565	1.3
166.02711	10.9
167.03387	1.7
168.11884	0.4
175.04008	1.6
177.01999	0.4
177.05554	3.3
179.03413	1.2
180.04208	2.2
181.05083	7.0
190.06316	0.4
191.03548	2.8
192.04398	0.4
193.05045	0.5
194.05789	0.3
195.06616	3.3
203.03587	0.4
205.05086	1.5
206.05882	3.0
207.06636	0.6
221.08234	2.2
251.09305	0.6
264.66260	0.4
284.78925	0.3
308.06900	0.4
323.09259	1.5
372.12280	0.5
373.13068	0.7
387.14508	2.8
399.14642	0.5
417.15680	0.6
496.06058	0.4
545.61591	0.4
551.19354	4.9
552.19379	0.4
563.19342	4.0
581.20337	38.7
582.20905	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50548	0.5
66.72408	0.5
74.15175	0.5
93.03429	0.6
95.47140	0.5
106.15620	0.5
117.03462	52.5
119.05019	88.1
121.02950	2.5
123.00871	1.0
135.12335	0.5
138.03235	0.8
145.02957	100.0
151.00391	9.1
152.01141	1.1
161.55481	0.5
163.04008	68.0
165.01936	0.9
165.05606	0.8
166.02716	18.0
167.03485	0.8
177.01964	0.7
177.05574	2.2
179.03491	0.5
180.04308	1.2
181.05067	9.7
195.06563	3.7
205.05151	0.9
206.05894	0.7
210.84221	0.5
253.05038	0.6
323.09286	1.1
338.11581	0.7
345.44562	0.5
357.13770	0.6
385.12939	0.7
387.14679	1.1
403.14145	0.6
551.19299	5.6
563.19299	7.4
581.20398	53.0
582.20441	1.0
592.82373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24953	0.2
59.01396	9.6
60.01727	1.1
61.01817	1.8
61.98841	100.0
71.01396	0.6
76.46380	0.3
77.67487	0.3
78.95905	12.5
79.95766	0.4
80.96542	4.8
94.98106	1.3
114.73742	0.3
115.00341	0.6
133.01439	0.4
144.56458	0.4
152.99661	2.1
161.24197	0.4
164.98630	0.4
168.04352	1.5
169.04669	0.4
170.04901	0.4
224.06892	2.4
225.00858	1.2
225.07320	1.8
226.07545	1.6
242.08104	0.4
279.23291	22.3
280.23621	25.2
281.23932	18.9
282.24240	8.0
327.84290	0.4
447.25583	1.4
471.36343	0.3
504.30630	2.8
505.31479	5.3
506.31552	12.7
507.31833	18.5
536.09888	0.4
572.40033	0.4
581.30042	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	581.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14392	0.3
59.01387	10.7
60.01719	1.6
61.01812	2.0
61.65072	0.3
61.98833	100.0
64.34612	0.3
71.01391	0.5
78.95898	6.9
80.96301	0.6
109.63387	0.4
115.00385	1.6
119.10912	0.3
133.01434	2.7
152.99579	2.6
168.04337	0.6
225.07149	0.3
242.08269	0.4
242.58243	0.3
247.64529	0.3
267.07986	0.3
279.23288	27.5
280.23639	30.2
281.23947	21.5
282.24188	9.9
294.64255	0.4
447.25369	1.9
504.31290	2.7
505.31409	3.7
506.31656	8.3
507.31891	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	581.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23518	0.2
54.82489	0.3
73.33450	0.2
87.69337	0.2
90.93908	0.3
98.31487	0.3
110.27504	0.3
130.26073	0.3
168.75429	0.3
178.78004	0.3
249.97867	0.3
261.22223	0.6
279.23291	100.0
280.23639	3.9
381.04208	0.3
394.79236	0.3
400.98849	0.3
581.45544	48.2
582.46106	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07756	0.2
54.45923	0.2
55.28748	0.2
56.91146	0.2
61.24784	0.2
77.93130	0.2
86.01607	0.2
92.12430	0.2
107.85992	0.2
108.45655	0.2
111.15818	0.2
116.92810	0.9
227.20177	100.0
228.20496	1.1
244.86287	0.2
252.73711	0.2
276.04654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
68.18321	0.2
95.20299	0.3
108.12131	0.3
116.92850	6.0
117.92878	0.5
151.33281	0.3
227.20177	100.0
228.20515	1.7
309.75043	0.3
340.24182	0.3
370.24323	0.3
563.22626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2614
Annotation	N1,N5,N10-Tricoumaroyl spermidine
Peak:m/z	Relative Intensity
51.02385	0.3
54.82657	0.4
61.98819	0.4
65.13409	0.3
76.69777	0.3
88.98803	1.3
92.65463	0.3
93.03438	1.3
104.58215	0.3
117.03430	3.9
119.05016	100.0
120.05366	0.8
144.04535	0.5
145.02959	15.8
146.06119	0.4
159.08217	0.4
175.04102	0.4
197.21536	0.4
239.01558	0.3
273.16083	1.2
299.14087	1.5
316.16788	5.1
342.14618	10.9
436.22491	1.6
459.80753	0.3
462.20386	22.3
463.20825	0.7
499.72083	0.4
545.49036	0.4
582.26227	16.8
583.26862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.5
78.95899	18.1
96.96895	0.2
116.92861	0.4
122.98494	0.2
140.94768	0.2
152.99602	2.6
157.26390	0.1
168.04282	3.3
195.50914	0.2
224.06953	7.5
233.19362	0.2
242.07915	1.5
265.25296	0.2
283.26434	100.0
284.26773	2.4
409.90811	0.2
439.70908	0.2
508.34106	53.6
509.34415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.7
59.01390	14.3
78.95914	4.6
84.90049	0.4
86.22534	0.4
88.01287	0.4
93.35551	0.3
111.33924	0.3
116.92853	8.1
152.99565	1.4
153.93861	0.4
155.66032	0.3
155.91740	0.5
168.04356	2.0
242.08095	2.3
283.26462	100.0
284.26770	0.8
508.34131	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
60.18848	0.2
61.79760	0.2
73.40719	0.2
86.04095	0.2
96.96001	0.6
125.93449	0.3
133.05092	0.3
134.10124	0.3
152.98325	0.5
153.99071	9.7
164.34343	0.3
168.00641	1.5
169.01416	100.0
170.01787	0.6
183.03003	3.2
184.03763	87.8
185.04114	0.6
196.65160	0.2
199.06123	67.8
199.31558	0.3
200.06557	0.4
331.06747	0.3
346.09097	1.1
361.11426	50.7
362.11932	0.4
535.07318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.1
71.01364	2.5
78.95900	100.0
82.10339	1.2
88.80002	1.1
96.96946	6.1
97.94553	1.2
99.92570	9.9
100.93339	4.6
115.91331	2.1
115.92072	43.5
116.92837	31.1
120.64311	1.5
120.96991	1.5
125.89467	1.1
128.38087	1.2
134.89461	26.4
150.97981	5.0
152.99588	39.5
156.89484	1.3
164.90495	1.3
171.00633	4.8
172.95422	6.2
178.88332	1.6
179.89198	30.0
180.89984	27.8
181.90720	4.6
193.94952	1.3
196.89484	58.8
203.43677	1.2
205.90752	1.8
206.91620	2.1
218.91594	1.5
234.90790	1.8
235.91873	11.6
236.92590	14.5
252.92044	2.8
255.23305	11.7
270.93213	1.4
278.93518	1.6
279.23267	7.0
280.23651	1.9
475.15561	9.3
492.16089	2.7
517.16626	1.4
528.99506	1.4
535.17987	2.8
547.17261	5.0
583.19830	93.8
584.20166	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	583.2168
Annotation	Propinquanin E
Peak:m/z	Relative Intensity
55.88615	1.5
59.01388	20.9
61.98813	9.3
65.04562	1.8
71.01378	17.5
76.57040	1.4
79.46519	1.7
80.15376	1.4
81.71544	1.7
85.02954	3.3
87.00900	1.8
89.02438	14.9
92.12384	2.3
93.03446	3.1
96.95985	3.4
101.02417	10.4
101.06050	7.9
110.69710	1.5
113.02445	8.0
123.00822	2.8
124.01611	2.4
137.02451	9.5
152.01166	1.9
153.01897	2.2
161.02466	1.6
161.04388	2.1
162.05734	2.1
166.26215	1.5
175.04013	2.9
175.30893	1.7
179.05624	17.9
190.02606	3.0
205.05089	3.0
221.06659	2.3
222.48051	1.7
227.12947	2.6
264.97604	2.0
267.29510	1.9
341.10858	2.7
351.13058	6.7
421.11368	6.5
512.18927	2.1
583.21759	100.0
584.21118	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	583.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73001	0.4
54.97905	0.3
55.11726	0.3
56.00325	0.4
59.35497	0.4
73.04951	0.5
82.62875	0.4
89.54356	0.4
92.12421	0.8
137.53035	0.5
148.03168	0.4
153.85316	0.4
165.95941	0.4
206.35954	0.4
235.20712	0.6
243.15993	0.5
253.21718	100.0
254.22096	1.0
358.46634	0.5
493.50772	0.5
531.42517	0.5
583.76685	0.5
605.58630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00554	0.2
51.68327	0.3
58.69624	0.3
73.94746	0.3
85.89003	0.3
96.71558	0.3
99.53278	0.2
119.05000	2.1
121.02944	100.0
122.03297	0.5
134.03729	10.8
135.04512	1.3
147.04507	7.5
149.06085	9.7
161.02371	0.6
163.03984	0.5
175.02716	0.5
176.03545	0.7
190.05130	0.3
191.03502	50.2
192.03853	0.4
204.06645	0.7
247.10991	0.6
300.71964	0.3
311.30182	0.3
377.15112	3.2
393.18192	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	585.4872
Annotation	Tenuiphenone D
Peak:m/z	Relative Intensity
64.92424	0.3
69.38072	0.3
69.94489	0.3
95.10764	0.3
136.85849	0.4
229.90848	0.4
229.93207	0.4
281.24866	100.0
282.25220	2.2
309.20758	0.4
311.22507	0.7
392.43060	0.4
516.76215	0.4
585.48706	42.7
586.48975	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69416	0.6
55.01871	1.7
57.03458	76.4
58.00594	1.5
59.01386	100.0
59.32039	0.7
61.98813	1.8
63.01626	0.6
66.56637	0.7
71.00988	1.8
71.01381	47.5
72.99286	3.4
73.02952	16.5
77.13709	0.6
81.03462	2.8
83.01388	6.1
85.02945	15.2
87.00877	0.9
89.01883	1.3
89.02440	35.0
94.62997	0.7
95.01363	3.3
97.06607	0.9
99.00844	3.0
99.04513	19.3
100.48217	0.7
101.02437	54.7
113.02442	21.3
113.06100	1.2
113.18111	0.7
119.03488	13.6
123.04500	1.5
125.02433	7.6
131.03549	1.0
134.03751	0.8
135.04510	4.2
137.02449	1.0
139.07617	1.4
143.03506	2.8
144.04608	1.4
146.06128	2.9
149.04398	1.0
149.06125	0.9
160.04076	3.3
161.02419	7.2
161.04547	7.0
162.05617	12.5
171.11795	5.0
175.03990	1.0
179.03296	0.8
179.05652	1.4
188.03503	4.3
189.09402	0.8
189.12814	4.4
190.05154	0.9
206.04614	5.2
210.01422	0.7
219.13930	2.9
237.14969	5.4
248.05760	0.9
253.07291	6.2
263.12894	3.0
399.20361	7.0
400.05081	1.0
425.18219	1.5
443.19269	65.5
444.19998	1.4
485.20370	43.5
486.21030	1.4
525.23499	14.7
587.23529	64.6
588.24390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41565	0.2
53.32520	0.2
53.66759	0.2
55.01879	0.4
57.03436	0.3
58.00599	1.0
59.01388	27.3
59.46583	0.2
65.13304	0.2
66.89540	0.2
71.01382	13.9
71.23289	0.2
72.99303	0.4
73.02932	0.6
82.95386	0.3
83.01382	1.2
85.02948	3.1
85.06589	10.9
86.79047	0.3
87.00858	0.5
89.02437	16.9
92.12396	0.3
95.01384	0.6
95.93645	0.2
96.96007	1.4
97.67793	0.3
100.00399	0.4
101.02434	10.1
110.70340	0.3
113.02441	6.0
113.06084	2.7
115.07632	2.1
119.03482	8.3
124.65553	0.3
127.07643	1.4
131.07126	49.4
143.03450	0.4
148.06372	0.4
161.04655	0.3
162.05627	1.6
173.08156	1.7
175.96942	0.3
195.34383	0.3
206.04593	0.6
293.12439	100.0
294.12793	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	587.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54432	0.1
56.05448	0.1
56.28807	0.1
60.35454	0.1
61.98845	0.1
69.28837	0.1
78.95910	0.7
95.63925	0.2
99.92583	8.3
114.93415	0.4
116.92854	100.0
117.01974	0.2
117.92887	1.4
136.89249	0.2
152.99582	0.6
239.61624	0.2
255.23311	1.1
293.21246	4.4
293.43594	0.2
356.20102	0.2
414.36935	0.2
423.25098	0.3
468.29462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95195	0.4
56.26399	0.4
57.03446	2.3
57.22638	0.4
58.00595	2.4
59.01385	69.7
61.98838	4.6
64.34879	0.5
71.01379	47.4
72.99306	3.2
83.01367	0.8
83.95966	0.4
85.02961	5.9
87.00867	0.5
89.02436	73.3
93.03439	0.8
96.95982	3.6
101.02442	5.6
113.02439	6.4
114.39173	0.6
116.92815	2.1
119.03461	2.3
131.03482	6.7
133.02954	3.2
134.16910	0.5
135.04550	2.4
137.02428	1.2
145.02940	0.6
146.06104	2.5
149.00826	0.6
149.04559	8.3
161.02428	8.1
165.12817	3.2
174.00153	3.8
176.01741	3.5
190.05019	0.5
191.05533	0.6
191.10847	0.9
201.99648	4.2
209.11861	10.7
220.00690	1.2
227.12917	8.1
359.17166	100.0
360.17514	2.5
443.19214	1.0
486.10611	0.7
543.12915	0.7
587.23889	0.9
591.01050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16854	0.8
54.82794	1.0
71.67438	0.8
79.27550	0.9
116.92870	1.5
139.11278	2.4
155.10756	1.6
167.10777	5.6
171.10271	2.2
185.11760	1.3
195.13963	1.3
214.12115	1.6
255.23334	21.4
275.20129	1.8
277.21799	1.2
290.91623	1.3
291.19604	5.8
293.21262	16.1
295.22885	11.3
309.20776	17.0
311.22290	100.0
312.22626	2.0
379.65823	1.3
548.60980	1.1
569.41876	1.8
587.42261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41542	1.4
59.01373	9.7
61.98541	3.0
61.98835	54.8
71.01376	3.8
76.77035	1.4
78.98410	1.5
79.02136	1.5
85.02950	2.1
88.47778	1.5
89.02431	1.7
106.69568	1.6
116.05057	20.4
131.03734	7.3
132.04558	2.7
134.03751	3.0
134.06120	2.7
135.04506	2.9
136.76622	1.5
139.07658	3.6
144.04556	46.2
145.02930	2.0
146.02460	7.4
146.06116	98.0
160.01711	1.7
160.04059	9.1
160.08928	8.0
161.02438	1.7
162.05609	44.8
162.06929	2.4
164.07207	3.3
167.04762	1.6
172.04031	40.8
174.05659	2.6
175.00388	9.3
175.11246	11.6
179.03516	2.4
188.03516	8.1
190.02693	19.0
190.05109	40.4
191.10698	13.0
204.06630	9.5
205.05101	16.6
205.07436	27.0
206.04544	13.2
220.09781	16.4
248.05714	2.4
367.10428	13.8
550.49554	2.1
588.20972	100.0
589.21716	2.8
605.42847	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	588.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25164	1.2
53.71275	1.2
54.46570	1.3
59.01375	3.9
60.53628	1.4
61.98835	37.0
66.45371	1.6
71.01363	2.8
85.02934	2.2
87.00813	1.4
95.34666	1.7
101.02445	2.4
115.79715	1.5
116.05051	18.8
119.04971	3.1
128.05032	2.5
131.03738	6.5
133.77660	1.5
134.03716	3.5
134.06068	3.3
135.04414	1.6
138.58128	1.6
139.07642	2.2
139.24557	1.6
144.04550	53.0
146.06113	100.0
149.06082	2.5
153.41058	1.9
160.04074	2.4
162.05603	24.9
165.93288	1.6
172.04031	43.3
188.03531	3.2
189.10823	1.8
190.02705	6.6
190.05099	40.5
191.10788	9.9
202.92851	1.9
205.05132	3.6
206.04713	2.5
284.12567	1.6
409.58002	1.9
588.20874	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79284	0.2
55.01890	0.3
57.03453	0.4
57.44913	0.2
59.01384	9.5
60.99283	0.3
71.01386	6.6
72.59148	0.3
72.99309	0.5
73.02945	1.3
75.00872	14.9
82.47660	0.3
83.01384	0.6
85.02950	2.8
87.00873	11.8
88.98805	2.7
89.02445	3.9
89.32037	0.3
92.12350	0.3
92.65498	0.3
95.01411	0.4
96.96006	1.3
101.02441	5.0
113.02447	2.8
115.05540	5.0
116.05090	2.4
116.05787	0.3
117.01900	0.3
119.03490	0.7
129.01965	0.5
130.06621	6.2
131.03612	0.3
132.04549	22.9
132.05547	0.8
134.06099	0.4
144.04567	1.7
147.03296	0.7
157.05351	0.7
158.06116	100.0
159.06453	1.7
160.04042	1.4
162.05612	10.8
164.28026	0.3
174.05600	3.3
176.07117	0.3
202.05121	31.1
206.04616	4.6
220.06206	5.5
237.06200	4.7
249.06142	5.2
264.85019	0.4
382.11487	72.0
383.11707	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35525	0.9
54.26412	1.0
54.82667	1.0
59.01382	7.4
59.05604	1.0
61.98837	1.3
63.31496	1.4
69.03477	1.5
74.92247	1.3
75.06843	1.2
83.01429	1.2
87.83041	1.0
89.03938	1.2
93.03413	1.5
108.02201	1.2
117.03461	18.0
119.05016	53.3
121.02917	2.5
132.02147	8.3
133.02982	6.4
134.03735	100.0
135.04466	1.5
136.01631	1.6
137.02444	2.4
139.03996	1.4
145.02934	15.3
145.06511	1.7
147.04546	5.2
149.06100	9.7
151.03961	1.4
159.04549	1.6
160.01637	25.1
160.05383	1.8
163.04007	38.6
175.04002	14.2
178.02733	7.7
179.03336	1.4
185.06258	1.9
186.06911	2.6
193.05057	59.9
230.05870	7.6
234.05415	1.7
235.17114	2.0
253.09259	1.4
275.20203	2.0
277.26053	1.4
293.21210	10.9
351.12292	2.2
381.13336	1.8
395.11426	28.0
425.12506	22.5
431.26105	1.3
464.61865	1.4
516.04047	1.3
589.16937	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	589.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58593	0.1
52.42021	0.1
59.01382	0.7
61.98841	0.2
71.01401	0.3
78.95898	6.3
79.95739	2.2
89.02459	0.2
93.03450	2.6
96.96004	100.0
96.96909	10.0
101.02427	0.3
105.93576	0.2
116.92835	0.2
119.05010	0.2
129.05820	0.2
132.04523	0.3
134.03697	0.2
137.02440	3.7
146.06096	0.2
160.01749	0.7
160.04083	0.3
161.02426	0.2
161.04568	0.2
162.05624	0.9
175.04068	0.2
176.03539	1.2
183.60359	0.2
325.88980	0.2
359.51834	0.2
451.68927	0.2
479.69217	0.2
491.26917	1.4
589.24304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47244	0.5
59.01378	0.8
62.37876	0.4
64.23312	0.5
78.95900	15.5
96.96992	0.7
102.48997	0.5
152.99593	15.9
171.00697	0.6
175.07516	0.5
194.93739	1.0
227.03299	0.9
256.66916	0.5
268.97482	0.9
279.23325	100.0
280.23645	1.0
455.15103	0.7
507.27304	43.1
508.27725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51772	2.6
52.28009	2.3
53.78780	2.2
110.42129	2.4
123.06761	3.0
139.11353	2.9
154.81206	2.8
167.10773	5.3
175.01553	3.2
215.94203	2.9
216.11931	3.0
247.79486	3.2
283.26410	34.7
293.21259	4.8
295.22833	3.5
309.27969	5.4
311.22339	100.0
367.74579	3.3
589.51874	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	589.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
58.61620	0.8
59.01369	1.8
61.98835	3.2
66.73521	0.9
77.78407	0.9
78.04843	0.8
92.11720	2.0
92.12324	4.0
97.02956	1.8
102.23058	0.9
125.09713	8.4
127.11277	1.3
131.25757	1.0
137.09718	4.1
139.11253	1.6
140.57164	0.9
148.64684	1.0
153.09221	5.6
153.12894	1.7
171.10266	49.0
195.13896	3.2
199.13445	3.6
211.13400	2.1
216.60529	0.9
220.08368	1.0
249.22183	4.5
265.21695	3.9
275.20175	1.3
277.21732	55.1
278.21982	1.5
279.23294	11.3
281.24863	15.9
291.19827	1.8
293.21262	82.5
294.21561	3.4
295.22791	100.0
296.23123	1.9
307.26447	26.2
309.20602	6.6
311.22314	65.4
312.22723	1.4
375.23404	6.0
413.24570	1.0
424.83578	1.1
529.33234	3.4
536.55475	1.0
571.43726	21.8
572.44366	1.1
589.44781	29.6
590.45380	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	589.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31918	0.1
55.77411	0.1
57.03447	0.8
59.01385	0.2
60.92423	0.2
72.41702	0.2
75.86624	0.2
76.36353	0.2
111.08143	0.4
125.09723	1.2
127.11308	0.3
137.09662	0.8
139.11278	3.5
141.09238	0.2
141.12898	1.9
143.10776	1.1
146.53561	0.2
150.22270	0.2
155.10767	2.1
157.12369	0.4
167.10786	6.2
167.14449	0.3
169.12387	0.3
171.10292	2.8
183.10335	0.7
185.11792	1.8
195.13911	0.6
199.13466	0.3
201.11426	0.3
213.11414	0.2
214.12157	1.0
228.16068	0.2
237.44753	0.2
237.92514	0.2
239.23831	0.4
249.22261	0.9
265.21771	1.3
267.23306	1.1
275.20068	0.4
277.21765	2.9
277.96780	0.2
283.22708	0.4
293.21277	10.8
294.21573	0.2
295.22824	5.6
296.23132	0.3
309.20886	0.3
311.22321	100.0
312.22681	2.9
329.93988	0.2
347.94366	0.2
472.40317	0.2
571.43878	1.8
589.44757	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	589.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64441	0.3
54.89981	0.3
57.03454	4.3
59.01379	3.4
65.59358	0.4
69.04770	0.4
73.73618	0.4
75.14211	0.4
78.16697	0.4
78.95900	2.4
94.10163	0.4
97.06549	0.7
113.09731	18.4
114.10052	3.2
114.14302	0.4
116.92882	0.5
139.11284	2.0
151.55367	0.4
152.99557	2.0
158.64037	0.4
167.01221	0.6
167.10692	3.0
171.10266	13.1
177.12881	0.5
179.10774	2.0
195.13919	3.2
249.22253	3.2
275.20142	2.5
277.21750	21.5
279.23273	0.5
293.21246	100.0
294.21555	25.9
295.22748	45.3
296.23352	0.5
434.00742	0.5
473.43823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.521
Annotation	Coixenolide
Peak:m/z	Relative Intensity
51.58500	0.4
61.98833	1.0
76.39974	0.5
89.20686	0.5
100.83076	0.4
105.28830	0.4
105.69524	0.5
116.92828	0.5
133.14462	0.5
135.00967	0.5
171.10223	0.7
195.13841	0.9
211.13432	0.6
277.21722	2.1
279.23309	7.5
281.24866	72.6
282.25235	1.2
291.19684	2.4
293.21130	4.4
295.22797	6.7
307.26462	100.0
308.26813	2.9
309.20825	5.4
311.22357	10.0
351.59219	0.5
571.43994	0.6
589.44879	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	590.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03437	0.6
58.00589	0.8
59.01387	73.0
65.57496	0.4
71.01383	32.7
72.99297	2.5
73.02948	2.4
73.04552	0.5
83.01392	2.4
84.24108	0.5
85.02947	9.1
87.00863	0.6
89.01881	1.2
89.02439	33.7
95.01381	2.2
96.96017	3.4
101.01766	1.0
101.02434	26.4
104.76447	0.6
111.00874	0.6
113.02443	12.0
119.03489	15.5
131.03558	0.7
134.04706	1.1
143.03534	0.9
143.79861	0.5
149.04517	0.6
155.08975	0.5
161.04553	4.0
179.05559	0.8
237.09802	4.3
279.10922	5.5
323.13513	100.0
324.13803	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	591.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.3
59.01381	6.2
61.98849	0.7
64.89881	0.6
67.09953	0.7
71.01378	12.1
73.02930	3.1
83.01385	2.6
85.02949	9.4
89.02432	1.0
91.01845	1.2
93.03422	5.6
95.01420	1.1
95.05006	3.6
99.00875	1.5
101.02432	9.6
106.04230	9.2
107.05028	46.1
108.02190	6.1
111.00864	0.9
113.02443	10.6
113.03161	0.9
117.03470	1.3
119.05009	4.0
121.02956	8.6
123.04510	45.9
123.05405	1.6
125.02454	0.8
130.04230	3.7
131.05017	22.4
132.02162	3.7
133.02943	62.7
135.04504	1.7
137.02467	1.2
138.03220	1.3
143.03494	1.4
143.05014	1.6
145.06679	0.9
146.06187	1.0
147.04494	5.5
149.02415	12.2
149.06071	6.1
150.03157	0.8
151.04002	100.0
152.01157	3.1
159.04506	1.1
160.04053	0.9
161.02382	0.9
161.04593	3.7
161.06075	2.7
162.05621	2.9
163.03995	3.4
164.04802	9.2
165.05583	5.8
173.06097	3.9
174.03220	2.8
175.00377	3.3
175.03984	21.3
179.07133	4.2
185.06335	0.7
187.04025	7.0
190.02707	9.1
191.03447	1.1
192.04300	3.0
193.01419	6.8
193.05043	16.2
203.03560	0.8
203.07173	0.8
205.05090	7.9
208.03780	15.0
215.03514	1.0
215.07121	0.8
217.05098	5.5
223.06102	22.4
235.06113	9.4
235.83209	0.7
259.06055	1.1
277.07098	1.1
295.08228	41.3
319.08359	1.0
337.09250	10.1
353.08813	1.5
367.10367	6.5
413.16644	1.0
429.11856	7.5
447.13004	21.6
471.12781	5.7
489.14133	2.8
501.14417	0.9
513.13824	2.5
531.15234	3.9
591.17340	16.5
591.26093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.7
59.01397	11.0
61.98843	0.9
69.03459	1.0
71.01389	6.8
73.70058	0.8
83.05032	2.0
83.77006	0.8
85.02969	1.7
85.28683	0.7
89.02434	5.3
101.02438	3.9
107.05051	1.8
108.02238	0.9
109.06576	1.1
113.02449	3.2
117.03446	8.0
119.03562	1.3
122.03729	1.0
123.04543	0.9
124.05279	1.5
125.02406	0.9
132.02171	15.1
133.02989	5.9
133.06552	1.6
134.03737	88.3
135.04500	3.7
137.02420	1.9
138.06880	6.8
139.07634	8.5
146.06212	1.4
147.04501	4.9
148.05321	1.6
149.06087	8.4
151.03909	1.0
151.07616	5.1
160.01660	78.4
161.02362	3.5
162.05548	1.2
163.04115	1.0
167.03534	0.8
173.09720	1.0
175.04007	85.4
175.07574	4.7
176.04762	12.6
177.02011	1.7
177.05444	0.9
178.02654	2.0
179.03426	1.5
182.05937	1.8
188.03516	1.5
191.07188	14.8
191.10791	33.9
192.04309	1.4
193.05067	46.9
207.06633	3.9
208.97266	0.8
220.03722	3.0
235.06148	16.9
265.07355	0.9
295.08313	2.0
327.94162	0.8
379.62448	0.9
412.25186	0.8
415.16159	25.3
416.16156	0.8
515.35229	0.9
516.09607	0.8
547.21960	20.7
547.30115	0.9
591.20905	100.0
592.21393	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	591.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01392	0.6
59.19025	0.7
64.34333	0.6
83.05025	1.3
90.85883	0.5
94.52621	0.6
97.06583	1.0
99.08176	1.1
113.09718	3.9
125.09714	1.2
127.11268	0.9
139.11270	7.3
171.10262	19.0
183.13889	1.1
184.30028	0.6
193.12358	5.2
209.11856	1.0
211.13403	20.5
229.14403	8.0
249.22134	0.8
250.95177	0.7
265.41864	0.7
279.23294	100.0
280.23654	4.0
293.21246	26.9
311.22296	83.2
312.22662	2.8
329.23352	23.9
329.27283	0.8
500.82590	0.8
591.46356	40.6
592.46741	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	591.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73574	0.2
53.88117	0.2
59.01339	1.0
61.98794	0.3
78.95862	0.8
92.12331	0.3
99.08114	0.3
113.09690	0.3
116.92827	0.3
122.85815	0.3
125.09702	0.4
141.12825	0.3
152.99532	0.9
153.91455	0.3
171.10268	31.4
233.22798	0.4
254.84627	0.2
277.21741	55.7
278.22031	2.1
279.22849	0.3
281.24857	2.7
282.25208	0.4
293.21326	1.0
294.21533	0.5
295.22815	100.0
296.23206	3.6
297.24371	3.6
410.68460	0.2
509.28961	1.3
537.13220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91421	0.3
52.65963	0.3
54.39996	0.4
57.03457	1.0
57.16601	0.3
58.00599	0.5
59.01373	0.9
71.43315	0.4
99.08165	4.1
113.09731	3.5
129.09227	6.5
139.11305	0.4
153.12904	0.5
167.14330	0.5
169.12379	1.7
181.12367	6.2
183.13892	4.4
186.32614	0.4
193.12346	2.7
195.13847	0.5
197.11865	6.7
199.13438	3.2
211.13416	20.2
265.21826	0.5
265.40143	0.4
275.20251	0.5
279.23297	43.5
293.21249	8.5
311.22308	100.0
312.22672	0.9
329.23358	3.6
473.09766	0.5
591.46338	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	591.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38240	0.5
58.07278	0.6
71.48367	0.5
91.90221	0.5
92.12133	1.0
97.02934	0.8
99.08136	2.4
109.54840	0.5
111.88939	0.5
113.09729	3.4
121.10188	1.1
125.09724	0.8
127.11221	0.9
131.59247	0.5
139.11275	8.6
171.10262	22.5
183.13855	2.6
185.11752	0.7
193.12314	4.5
211.13412	12.1
229.14459	4.3
249.22205	1.3
279.23294	100.0
280.23602	2.3
293.21243	26.5
311.06601	0.7
311.22302	82.9
312.22754	1.1
315.59583	0.6
329.23380	13.4
591.46387	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89362	0.6
58.71246	0.6
65.01599	0.6
67.54179	0.6
78.97405	0.6
79.09718	0.6
84.06681	0.6
91.81807	0.6
121.10169	1.0
125.09691	3.3
127.11251	3.9
139.11269	7.9
144.82005	0.9
145.55412	0.8
155.10849	1.2
171.10268	54.0
179.25314	0.8
185.11864	4.9
199.13315	0.7
201.11330	13.1
232.62451	0.7
275.20013	5.1
279.23312	65.4
280.23663	1.1
293.21182	8.9
311.22308	100.0
312.22656	1.5
329.23383	2.8
591.46149	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	591.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59964	1.0
53.39201	1.0
53.49866	1.1
59.01361	2.0
64.57965	1.1
99.08146	1.3
113.09718	2.0
129.09169	6.2
154.24823	1.4
169.12308	1.9
171.10280	8.0
181.12288	5.5
183.13907	2.2
197.11801	2.4
199.13353	2.0
211.13422	27.8
275.20258	1.5
279.23285	93.3
280.23669	1.7
281.24728	6.0
291.19696	1.9
293.21271	12.7
309.20621	3.1
311.22305	100.0
329.23334	6.5
337.99347	1.4
353.21133	1.4
363.63397	1.4
514.09094	1.4
536.96790	1.5
591.46490	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89030	0.4
59.01392	0.9
65.45786	0.4
82.81350	0.4
82.91357	0.5
83.01895	0.5
92.12045	1.3
99.08157	0.9
113.09737	0.8
125.09745	2.0
127.11300	3.2
129.09183	0.8
129.36154	0.5
139.11293	3.5
145.92824	0.5
155.10774	1.2
165.12810	0.8
169.12376	0.6
171.10266	15.8
181.12407	3.5
183.10306	0.7
183.13872	4.7
183.15276	0.5
185.11832	2.8
193.12358	2.0
195.13945	0.5
197.11862	2.0
199.13391	1.2
201.11346	5.1
211.13403	27.0
229.14482	0.6
275.20187	2.3
279.23303	100.0
280.23651	2.2
281.24820	7.5
283.26413	2.5
284.26755	2.8
291.19638	2.6
293.21225	10.5
309.20667	3.7
311.22324	59.0
312.22711	1.0
327.21823	0.8
327.28983	0.5
329.23392	5.9
386.76068	0.6
591.46259	50.7
592.46136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65055	0.1
59.01389	0.1
61.98835	1.3
63.26360	0.1
66.01107	0.1
77.03967	0.2
78.30487	0.1
78.95893	0.1
86.79890	0.1
91.01866	0.1
92.12354	0.1
94.05322	0.1
120.02181	0.5
121.02952	100.0
122.03271	0.9
133.18742	0.1
136.01665	0.4
147.04443	0.1
147.62636	0.1
157.65373	0.1
165.01915	2.9
165.03252	0.1
167.08708	0.1
180.05807	0.7
181.05080	0.2
181.06587	2.6
197.06116	2.5
207.04529	0.8
207.08217	0.4
209.04579	32.6
210.04883	0.3
220.60185	0.1
223.04112	0.2
225.05568	2.1
230.60068	0.1
251.07187	0.3
257.09750	0.6
285.09189	0.3
301.08881	0.4
313.07239	1.8
329.08173	0.3
357.06308	0.7
373.10809	0.3
383.07648	0.9
401.08981	0.2
417.09921	1.1
505.11469	1.8
549.10443	4.6
550.11102	0.2
593.13147	8.9
594.13654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1521
Annotation	Vitexin 7-O-glucoside
Peak:m/z	Relative Intensity
54.07014	0.5
58.22421	0.4
59.01377	0.8
60.08766	0.5
62.17179	0.4
71.01379	3.0
72.42506	0.5
93.03392	0.5
101.02427	0.6
106.02557	0.5
108.02184	0.6
108.60146	0.5
109.02902	0.6
109.93256	0.5
119.05037	2.7
121.03006	0.6
125.64976	0.5
132.02197	0.6
133.02887	4.2
134.03706	2.6
135.04532	0.9
136.09834	0.5
137.02449	0.6
144.17853	0.5
147.04512	2.3
149.02422	0.8
156.23512	0.6
159.04509	0.6
160.03987	0.6
161.02455	1.2
162.05621	2.1
163.04028	1.1
165.01862	0.6
165.05592	1.0
175.04015	1.2
177.01918	3.1
179.03467	0.8
189.01933	0.9
191.03482	2.1
195.71181	0.5
203.03531	1.2
221.04625	0.6
223.59930	0.5
227.03531	0.6
239.07240	1.0
265.05093	0.8
267.06561	0.9
282.05612	0.6
283.06195	3.7
284.06940	0.8
295.05872	0.5
297.04163	1.1
297.07611	0.9
298.04794	6.5
299.05624	4.4
310.04919	1.1
311.05630	25.2
312.06427	72.1
313.07053	3.3
322.04825	1.1
323.05740	6.7
324.06317	2.7
325.07324	1.1
326.08057	0.7
327.05148	2.0
327.08749	0.6
334.13873	0.6
336.06488	0.5
337.07266	0.8
338.04376	2.1
339.05075	8.5
340.05951	0.6
341.06680	3.5
344.05460	3.3
351.05048	2.1
353.06747	5.2
355.08319	4.6
357.05966	0.7
358.06903	2.5
365.06619	0.7
367.04205	1.1
367.08408	0.7
368.05331	2.6
369.06250	0.7
370.06747	0.8
370.74579	0.6
381.06174	1.0
383.07773	48.7
384.08099	0.7
385.09293	0.8
386.06564	2.3
395.07758	6.2
398.06464	0.6
413.08835	37.3
414.09152	1.7
425.08817	3.0
437.08914	0.7
443.09811	2.6
455.09760	3.5
473.10898	10.9
503.11823	5.2
533.13000	3.0
593.15198	100.0
594.15430	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	593.1518
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
55.51134	0.4
59.01374	1.1
61.98808	0.5
71.01360	2.0
73.02965	0.4
75.01177	0.4
76.58710	0.4
79.01875	0.5
83.01342	0.6
85.02927	0.6
89.02405	0.5
91.05515	0.4
93.03430	5.2
96.95942	0.4
106.26352	0.4
107.01389	0.6
117.03446	8.5
119.05000	2.2
121.02934	0.4
123.04443	0.5
131.04927	0.5
133.02963	0.5
134.03793	0.5
135.04514	5.0
136.61147	0.4
137.02417	2.9
145.02974	0.7
145.06514	0.5
147.04507	1.8
149.01276	0.7
149.02444	1.7
161.02403	5.1
161.06068	0.8
163.03979	2.7
167.03496	0.6
173.06064	1.0
175.03984	2.5
177.02007	0.5
177.05562	2.9
179.03471	0.8
187.04013	0.7
189.01958	0.6
189.05579	0.6
191.03470	2.9
199.04068	0.5
203.03496	2.7
205.05070	0.8
217.01231	0.5
221.04524	0.6
224.08362	0.7
233.04451	0.8
237.05634	0.5
245.04526	0.6
253.08850	1.5
267.06549	0.8
268.07178	1.4
269.08304	0.5
278.06033	0.4
281.04514	1.7
282.05356	3.5
283.06079	5.4
293.04538	0.6
295.06125	7.2
296.06824	3.6
297.07693	38.0
297.69022	0.5
298.07861	0.6
307.06122	4.1
309.04443	0.5
309.07538	3.2
310.88611	0.4
311.05566	3.3
321.07904	0.5
321.71243	0.5
322.04712	0.6
323.05643	6.2
324.06418	0.6
325.07199	15.4
328.05997	6.0
335.05478	3.6
337.07135	4.9
351.05011	1.0
353.06702	64.5
354.06937	2.3
355.08350	2.0
356.05209	1.0
365.06735	6.9
367.08130	0.6
377.06702	0.5
383.07761	38.3
395.07809	4.5
397.09177	0.8
413.08719	3.7
425.08829	2.0
473.10925	14.8
503.12097	3.0
575.13660	0.6
593.15161	100.0
594.15326	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60978	0.5
55.01887	0.8
57.03451	0.9
58.00599	2.2
59.01393	63.1
71.01394	35.5
71.05021	2.0
72.99303	2.9
73.02944	3.1
75.00877	0.9
78.95885	2.1
83.01404	3.3
85.02959	8.8
87.00895	3.8
87.04520	0.7
88.98791	2.0
89.02451	35.0
92.11795	0.9
95.01379	2.5
96.96016	4.5
96.96942	4.3
97.08102	0.5
99.00894	0.7
101.02444	25.0
113.02457	12.8
119.03501	15.3
119.04978	0.5
131.03464	1.0
131.78651	0.5
145.06583	2.0
149.04460	0.6
159.02992	0.6
159.06689	1.0
161.04578	3.3
171.15887	0.5
178.97313	0.6
179.03830	0.9
179.05600	3.4
180.06639	2.6
189.05606	0.7
206.51138	0.5
246.88484	0.5
341.09116	100.0
342.09167	3.7
370.94788	0.6
413.16415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
66.47848	0.5
70.98187	0.6
71.01389	23.8
72.99307	1.4
73.02956	1.3
75.26127	0.7
79.05527	0.6
85.02960	5.0
87.00863	0.9
88.67860	0.6
89.02445	37.4
95.01398	1.0
96.96014	0.7
97.02928	0.8
98.26988	0.6
98.51913	0.7
101.02437	15.5
103.45620	0.6
108.02165	20.7
109.02940	4.3
113.02441	11.0
119.03486	12.7
119.04978	8.4
133.02945	3.9
140.98595	0.7
141.01695	28.1
141.02797	1.3
143.03476	1.4
145.02945	2.5
147.11810	1.1
152.01155	36.7
153.01747	1.0
160.04083	3.0
161.04593	1.2
162.05582	7.4
163.04008	3.8
177.01971	0.8
179.05620	10.3
188.03548	4.4
189.07448	0.6
191.10732	6.5
206.04637	1.5
208.67859	0.6
371.17126	31.7
413.18103	5.9
429.10138	1.6
447.11487	8.8
473.20352	0.9
533.22394	19.0
534.19910	1.0
593.15143	15.6
593.67480	2.9
594.14880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05398	0.4
59.01380	1.9
66.07290	0.5
66.75543	0.4
70.16338	0.4
75.35575	0.5
78.95911	85.3
96.96962	19.6
118.80753	0.5
121.02956	0.7
152.99590	68.9
173.97952	0.6
187.06982	0.6
203.62181	0.6
223.00154	2.4
237.49739	0.5
241.01218	37.0
256.08618	0.5
259.02417	0.6
277.21732	74.5
278.22012	1.9
315.04950	10.2
315.49393	0.5
320.52917	0.5
413.21140	4.8
593.27405	100.0
594.27802	5.2
610.69336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34594	0.5
59.01369	1.0
66.74872	0.5
78.95899	69.3
81.70434	0.6
89.43506	0.5
92.11771	0.8
96.96953	16.0
124.77796	0.6
125.24886	0.6
150.98009	1.2
152.99593	98.6
171.00592	2.9
171.24678	0.6
199.81985	0.7
223.00117	11.9
241.01207	27.3
259.02399	1.1
277.21729	65.4
278.21921	0.9
315.04926	11.0
593.27417	100.0
594.27673	3.5
621.60663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92885	1.8
64.34191	2.5
93.17206	2.1
125.09670	3.0
127.11354	3.0
131.82565	2.3
139.11331	9.9
171.10249	71.5
185.11807	7.3
201.11307	13.6
234.72690	2.4
243.66476	2.1
260.83667	2.1
274.25693	2.2
275.20239	3.6
281.24878	73.2
293.21210	8.7
311.22299	100.0
593.48315	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	593.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13169	2.2
76.04577	1.8
111.65431	2.2
129.18452	2.6
134.83467	2.3
211.13388	17.8
281.24896	44.4
293.21378	3.2
311.22275	100.0
511.50208	2.3
593.47803	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	593.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87894	0.1
59.01382	3.4
71.01375	0.4
77.18269	0.1
91.92249	0.1
111.17888	0.1
125.33249	0.1
139.72060	0.1
221.19106	0.9
234.89494	0.1
239.20178	100.0
240.20471	1.4
277.21722	0.5
474.77853	0.1
569.80023	0.1
622.56177	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	593.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23767	0.8
83.05009	0.9
88.43446	0.9
97.02937	1.5
113.09740	1.6
118.95601	1.0
125.09676	1.3
127.11246	1.4
139.11282	4.8
167.10779	1.4
171.10269	17.5
183.13901	1.3
193.12323	5.1
205.08142	1.0
211.13441	16.2
229.14453	6.4
274.80911	1.2
280.23566	1.5
281.24866	100.0
282.25092	1.6
293.18054	1.2
293.21274	28.7
302.67474	1.1
311.22296	55.8
312.22681	1.2
313.43405	1.1
329.23334	16.1
593.47961	38.6
594.48596	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38257	0.2
54.82608	0.2
59.01373	0.3
61.98836	0.3
78.95885	1.1
88.35183	0.2
92.11691	1.0
101.02432	0.3
116.92834	0.3
171.10266	4.6
172.10612	1.2
173.10884	0.2
230.71988	0.2
251.23888	0.9
251.91936	0.2
277.21750	5.6
278.22043	3.1
279.22983	1.8
281.24994	0.8
295.22806	12.1
296.23151	4.9
297.24371	100.0
298.24640	1.7
309.70508	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29454	0.4
57.03438	0.7
58.36326	0.4
83.05018	0.9
97.02924	0.8
97.06549	0.6
99.08140	2.2
112.40163	0.5
113.09711	2.7
121.10233	0.9
125.09721	2.0
126.28033	0.4
127.11275	0.7
139.11287	4.4
163.11299	1.9
165.12863	1.1
167.10786	0.8
167.14461	0.6
171.10272	14.6
172.10555	1.1
175.11314	0.6
183.13911	2.5
185.11943	0.9
193.12361	6.1
197.11920	0.6
209.11827	0.7
211.13416	17.1
221.46875	0.4
229.14450	5.6
249.22250	1.9
275.20120	0.5
279.23227	1.9
280.23682	1.9
281.24869	100.0
282.25146	0.8
293.21255	29.8
311.22308	73.2
312.22723	3.6
313.23080	0.6
329.23376	17.5
482.68710	0.5
593.47888	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36706	0.2
58.68527	0.2
59.73549	0.2
63.90887	0.2
69.17142	0.2
80.13867	0.2
81.81623	0.2
97.54033	0.2
129.71552	0.2
146.04179	0.2
171.10268	0.5
172.49821	0.2
188.95866	0.2
211.13237	0.3
220.41003	0.3
279.23315	1.4
280.23560	1.3
281.23975	1.0
283.26437	55.8
284.26758	1.3
309.28012	100.0
310.28369	2.6
311.22296	0.4
312.22601	1.7
313.22882	0.5
333.69461	0.2
394.43204	0.3
429.18555	0.2
593.47144	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	594.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70004	0.3
57.03463	0.4
59.01391	7.6
61.98829	0.6
77.03966	0.4
78.95902	3.6
85.48209	0.3
96.17240	0.3
110.32327	0.3
112.04284	0.3
113.09753	0.4
119.04971	0.5
120.02132	0.6
121.02946	100.0
122.03278	33.4
123.03457	0.7
152.99635	0.4
165.01949	2.8
166.02364	0.4
168.04341	1.4
180.05748	0.4
181.06537	2.3
182.06941	1.5
183.13893	0.7
195.13911	5.6
197.06097	1.7
198.06422	1.4
207.04634	0.4
209.04570	27.9
210.04913	14.0
210.27603	0.4
211.05040	0.7
225.05650	0.7
226.05838	0.5
242.07938	0.4
258.09967	0.4
258.27942	0.4
277.21680	5.8
295.22803	22.9
310.27826	0.4
313.07281	0.6
314.07562	1.7
343.37405	0.4
402.08835	0.4
418.10400	1.7
506.11868	2.1
520.30548	15.5
550.10840	6.2
551.11407	0.6
584.70227	0.3
594.04089	0.4
594.13495	10.9
595.13501	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	594.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38762	0.5
57.03455	0.9
59.01385	33.7
61.98826	2.9
78.95899	26.7
84.51349	0.7
113.09733	1.2
114.38387	0.6
119.05015	6.9
120.38667	0.6
121.02914	1.0
125.09685	0.8
152.99593	7.0
168.04279	6.2
171.10272	22.0
183.10318	1.1
183.13928	2.8
195.13889	14.3
224.06902	9.0
242.07999	3.7
277.21722	36.8
295.22809	81.4
371.61853	0.8
439.70691	0.7
458.82529	0.8
520.30499	100.0
521.30792	0.8
594.34424	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	594.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94545	0.8
56.91312	0.8
59.01390	22.3
61.98837	4.1
67.03519	0.9
68.15583	0.9
73.03646	0.9
78.95892	8.8
89.00973	0.9
92.36864	0.9
113.09760	3.8
119.05032	4.0
137.55066	0.9
152.99603	2.3
159.03560	1.0
168.04286	3.8
190.96564	1.0
195.13918	27.8
224.07002	1.2
238.48062	1.0
242.08022	4.1
277.21744	23.9
295.22806	100.0
296.23398	1.2
343.24902	1.6
365.84775	1.0
370.62091	1.2
397.32764	1.0
455.26208	1.1
520.30554	76.2
521.31470	3.4
594.34955	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	594.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	1.2
59.01394	29.6
61.98830	2.0
66.03808	1.0
78.95903	28.2
83.05039	1.3
90.06160	1.0
94.74541	1.1
94.95504	1.1
107.52100	1.1
121.02941	4.8
122.03253	2.1
152.99583	5.9
165.01932	4.5
168.04305	6.3
171.10262	18.1
179.14413	1.8
195.13922	16.8
224.06949	7.1
225.98796	1.3
242.08003	4.8
277.21722	39.8
295.22784	83.0
405.05957	1.2
461.08487	1.2
520.30450	100.0
525.74225	1.4
617.13196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46429	0.2
60.22621	0.2
97.77042	0.3
97.93137	0.5
99.92576	100.0
100.92589	1.6
115.92065	8.3
116.92829	4.6
123.53313	0.3
131.91519	0.5
141.93591	0.7
255.23297	19.9
294.16730	0.4
338.15588	22.9
348.34381	0.3
352.13501	0.5
371.15244	1.4
392.61951	0.3
594.39655	51.4
595.39856	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	595.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
58.00597	1.7
59.01390	100.0
61.68007	0.9
61.98831	6.3
63.05752	0.8
71.01384	54.6
72.99297	4.0
73.02937	1.9
82.64244	0.9
83.01385	4.1
85.02946	12.0
87.00855	1.5
89.02441	58.1
92.11884	7.2
95.01382	3.8
96.95984	9.9
99.00868	1.1
101.02434	30.1
109.44296	0.9
113.02444	22.1
119.03482	19.7
119.04968	1.3
123.00816	1.5
131.03482	1.8
133.02977	1.1
135.00906	1.1
135.04501	2.0
137.02422	1.2
138.03271	1.8
139.00380	1.7
139.03976	1.7
143.03494	2.4
144.04515	2.0
146.06094	1.6
147.00800	1.4
148.01711	1.5
151.03992	1.7
153.01950	1.3
160.04025	5.3
161.02466	11.5
161.04517	4.7
162.05620	19.1
163.04001	3.9
163.05969	2.2
164.01103	1.9
175.00357	6.7
175.04022	1.0
176.01155	1.8
176.04742	4.1
177.01955	8.3
178.06859	1.0
179.03513	24.0
179.05652	9.6
179.37561	0.9
188.03549	7.7
190.02667	7.2
191.03328	1.1
191.07210	1.8
192.00594	6.3
192.04277	4.3
193.12283	1.0
194.05840	18.4
195.06673	1.0
197.04434	1.1
205.05077	4.7
206.04584	9.3
207.02965	1.7
207.06592	3.9
209.08200	11.1
217.91531	1.1
223.06067	10.2
230.04588	1.3
248.05637	1.9
357.10098	1.1
367.10422	1.1
373.18567	17.2
385.09012	9.7
400.11761	9.6
415.14023	87.5
415.19312	4.6
595.19781	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09642	0.4
71.19217	0.3
78.95899	66.1
85.75326	0.4
96.96953	16.0
100.80106	0.5
105.72632	0.4
111.92086	0.4
139.56560	0.6
150.97989	0.6
152.99593	61.4
179.42332	0.5
223.00233	1.8
241.01205	29.7
257.39169	0.5
279.23300	79.6
280.23645	2.1
315.04904	7.4
348.57843	0.4
362.16541	0.4
415.22607	4.0
433.24023	0.5
510.34476	0.6
541.52625	0.5
595.28967	100.0
596.29333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2897
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
54.02541	0.6
56.50646	0.5
57.47549	0.5
59.01379	0.7
60.20892	0.6
66.05537	0.6
69.00638	0.6
78.95899	74.6
96.96953	17.6
150.98112	0.9
152.99585	95.9
171.00681	2.6
223.00128	12.9
241.01205	27.2
248.92813	0.6
259.02237	1.0
279.23303	92.0
309.96307	0.7
315.04922	13.1
457.65515	0.6
486.01270	0.6
513.59833	0.7
595.28979	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	595.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52056	0.4
51.67015	0.4
54.82788	0.4
55.54049	0.4
57.07228	0.4
59.19410	0.4
63.36575	0.4
67.65250	0.5
69.87840	0.4
73.96029	0.4
78.95897	100.0
81.46097	0.5
96.96951	26.5
100.20269	0.6
103.91400	0.5
116.92874	0.8
134.89432	3.4
152.99579	1.1
279.23358	0.9
357.08844	9.5
595.31970	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
74.68219	0.2
78.02493	0.2
78.60802	0.3
78.95889	0.4
101.02401	0.6
105.60593	0.3
113.09711	0.4
115.55855	0.3
135.08156	0.6
135.96086	0.3
137.09705	0.3
139.11279	3.5
152.99545	0.5
155.14409	0.5
165.12827	0.6
179.03682	0.3
199.13422	7.6
211.13451	2.2
217.07181	1.2
223.11209	0.3
249.01482	0.3
249.22243	0.9
275.20129	0.4
279.23068	0.5
281.24768	1.8
285.13556	0.3
293.21249	100.0
294.21603	1.6
301.16699	1.9
364.71768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83089	0.2
55.54855	0.2
59.01381	2.5
71.01365	1.1
78.95894	4.5
79.95722	1.5
85.02934	0.3
89.02436	1.7
95.39965	0.2
96.96001	100.0
96.96895	7.5
100.38102	0.2
101.02421	1.0
111.61407	0.2
119.03454	0.5
120.99628	0.3
132.04613	0.3
143.46048	0.2
147.03229	0.4
150.44067	0.2
152.03503	0.3
160.04063	1.4
162.05598	8.7
162.06923	0.3
175.60384	0.2
186.84140	0.2
188.03555	0.5
206.02806	0.2
206.04585	5.1
209.11781	1.6
214.53395	0.2
231.93266	0.2
301.04227	0.3
389.18198	6.6
404.78244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	16.3
61.98830	1.4
76.57164	0.6
78.95906	21.1
91.09462	0.6
95.11484	0.6
99.84158	0.6
104.11771	0.7
106.87436	0.6
139.51231	0.7
145.15877	0.6
152.99620	3.8
162.05240	0.6
168.04326	3.9
183.13895	3.9
192.95828	0.9
224.06909	8.7
242.07906	1.4
248.34045	0.6
279.23227	2.7
295.22913	0.9
297.24359	100.0
298.24664	1.1
439.69641	0.6
522.32025	58.0
523.32452	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	597.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15622	0.5
55.01868	0.7
55.66031	0.4
56.81478	0.4
57.03459	0.5
57.85059	0.4
57.97454	0.5
59.01382	7.4
61.98845	0.8
69.03506	0.5
71.01389	6.5
72.99306	0.7
73.02975	0.7
73.28336	0.4
83.01392	0.9
85.02964	3.6
85.90171	0.5
87.00889	0.7
88.04044	0.8
89.02461	2.7
91.01898	4.5
92.12346	1.5
92.65821	0.5
93.03450	1.9
95.01375	2.3
96.95997	1.0
99.00875	1.0
101.02439	3.4
108.02174	59.7
109.02954	23.4
111.00905	0.7
113.02467	2.4
114.39048	0.5
115.00356	0.6
119.05071	0.7
121.02965	0.8
123.00845	1.1
123.04514	15.5
132.02167	4.0
132.02995	0.6
134.03745	3.0
135.04474	0.7
137.02440	2.0
145.08652	0.9
151.04047	0.9
152.01152	100.0
153.01955	17.0
160.01648	17.3
161.02090	1.1
162.05592	2.2
163.04024	3.2
167.03487	20.9
175.03992	22.5
176.04347	2.2
177.01924	0.6
180.76001	0.5
193.05031	2.1
207.03024	0.9
243.85199	0.6
270.40628	0.6
289.08453	1.2
297.06113	0.8
307.13956	1.1
313.51694	0.6
315.07260	2.0
429.10388	13.2
447.11465	4.2
559.16577	8.7
561.16907	0.9
597.14612	57.2
598.14655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97176	1.5
59.01366	11.1
61.98818	3.2
65.19507	1.6
68.73709	1.4
71.01366	1.5
71.97980	1.5
83.05045	2.1
93.03439	3.5
100.32292	1.8
103.00336	2.6
111.44396	1.4
116.77478	1.7
121.02957	3.5
122.03689	13.5
133.02968	2.4
134.03712	1.9
136.01645	21.3
146.06218	1.7
149.02409	23.7
150.03220	100.0
151.03978	18.8
159.04472	3.6
160.05273	18.5
164.04747	2.5
165.05560	84.7
166.02682	2.9
175.03949	11.8
180.04330	6.5
181.04959	2.9
190.06334	9.2
195.06642	35.8
219.06609	7.5
253.04980	1.8
282.05347	9.3
297.07654	12.9
312.10043	14.5
327.08737	10.2
327.12494	8.3
342.11209	3.2
357.13437	25.9
401.12418	20.1
549.17773	19.2
596.34357	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	597.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08495	1.0
59.01397	4.0
61.98821	2.8
82.36517	1.2
93.03430	1.7
96.95988	1.6
109.02908	1.6
113.43951	1.2
116.92834	2.4
119.05016	2.7
121.02947	6.1
122.03726	14.1
123.04491	2.4
133.02908	1.5
134.03745	1.4
135.04509	2.3
136.01657	30.5
145.02988	2.1
146.03737	1.6
147.04504	2.7
149.02446	27.9
150.03224	100.0
151.03996	26.7
159.04568	1.8
160.01694	1.5
160.05325	5.4
161.02458	2.0
163.04070	1.8
164.04790	6.6
165.05577	66.1
171.12819	1.1
174.03163	1.8
175.04059	13.9
180.04315	6.1
190.06342	10.6
191.03601	1.4
195.06625	24.4
205.05101	1.5
205.08719	5.1
211.07739	1.7
219.03038	1.3
219.06535	1.2
253.05099	1.3
282.05289	13.4
297.07654	15.1
299.09152	4.4
311.09430	1.2
312.10126	16.8
327.09387	12.7
327.12460	12.1
342.11151	7.2
357.13483	29.1
369.13321	2.6
383.11380	2.6
401.12491	36.7
431.13135	1.4
537.40063	2.3
549.17651	13.5
597.20142	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	597.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.3
55.66064	1.4
57.03426	1.8
58.00594	1.7
59.01387	100.0
62.84496	1.7
63.78640	1.4
69.03443	6.4
71.00985	2.8
71.01378	67.7
73.02934	9.0
81.03447	2.2
83.01364	3.1
84.47262	1.3
85.02947	18.3
87.00864	3.2
89.01897	1.8
89.02446	54.9
89.03017	1.8
91.03605	1.7
91.80963	1.4
92.11807	2.0
93.25121	1.5
95.01363	3.7
96.96004	6.7
97.02943	6.5
99.00903	3.6
101.02438	38.5
113.02464	22.4
119.03476	24.1
119.05029	2.0
125.02429	27.0
131.03523	2.6
137.02377	2.3
143.03505	7.9
152.98273	1.6
161.02458	2.0
161.04568	7.5
167.03551	2.7
168.00618	17.9
173.63860	1.4
175.03908	1.7
179.05591	18.1
183.02980	51.2
198.05324	24.5
209.06558	1.5
213.07684	2.8
218.95255	1.8
221.06706	14.2
225.79245	2.0
263.07730	8.0
268.29297	1.7
323.09814	38.9
424.79440	1.8
597.18158	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	597.3052
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
51.50945	0.4
61.15715	0.4
62.90488	0.4
68.48852	0.4
78.95897	60.4
80.88760	0.5
96.96964	12.2
98.13144	0.5
125.55418	0.5
152.99593	79.1
171.00664	2.7
223.00172	9.3
241.01213	22.2
247.73157	0.6
259.02258	1.0
281.24869	79.9
282.25284	1.2
315.04932	8.6
431.37921	0.6
451.80807	0.6
577.85400	0.5
597.30542	100.0
625.72980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77501	0.1
56.71869	0.1
58.02982	0.3
59.01402	0.2
60.59706	0.1
61.98843	0.3
69.16651	0.1
80.05043	0.2
81.03459	18.9
82.03783	0.1
83.05031	60.5
84.05366	0.2
100.07684	9.5
105.06517	0.2
108.04559	0.4
111.09287	0.4
125.07226	0.4
126.05620	1.2
127.04006	0.7
134.03708	0.2
145.05060	0.3
157.13487	0.2
160.01643	0.2
162.05664	0.3
170.15540	0.2
182.15547	0.8
199.18176	11.6
200.18582	0.2
207.15181	1.3
208.03783	0.2
223.06207	0.2
224.17699	1.5
225.16104	11.4
226.14534	0.7
243.17136	28.2
269.15002	1.7
308.23456	0.2
309.21936	1.7
317.49191	0.2
335.19830	0.2
353.20868	9.4
391.47391	0.2
410.69949	0.2
425.35007	0.7
433.32120	0.4
450.04962	0.2
451.32898	3.3
452.31528	0.3
469.33972	19.5
470.34351	0.3
495.31915	0.7
535.38989	0.2
553.39465	0.6
579.37756	4.6
597.38794	100.0
598.38965	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	598.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61093	0.4
59.01379	6.2
61.98832	100.0
70.70706	0.3
71.01377	4.7
71.42666	0.3
73.02932	0.6
76.83607	0.3
85.02941	0.8
85.70051	0.3
87.00890	0.4
89.02435	4.4
92.29076	0.4
93.03452	0.6
95.01357	0.5
96.96017	0.7
99.00918	0.4
101.02441	4.1
104.14819	0.3
104.41313	0.3
113.02440	2.6
119.03500	2.3
131.03540	1.5
137.02470	0.5
143.03555	0.4
144.04564	0.4
159.03148	0.4
160.04060	2.3
161.04509	2.6
162.05606	3.3
174.05641	1.6
175.05956	0.6
179.05634	1.3
188.03580	1.9
206.04681	1.4
221.06709	1.9
435.59225	0.4
440.78647	0.4
535.23999	27.3
542.12195	0.4
598.21912	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23151	1.1
54.82818	1.4
55.28412	1.2
57.60960	1.1
59.01410	1.3
61.98823	2.2
110.08354	1.3
117.03459	2.2
119.05023	40.4
132.63167	1.5
134.03784	2.4
135.04526	100.0
145.02979	12.9
146.06105	2.5
160.04059	2.5
162.05635	6.0
164.07144	1.9
190.05179	1.6
227.73552	1.5
284.30655	1.6
284.33752	1.7
295.81845	1.5
312.35245	1.9
316.16656	6.3
332.16187	8.8
342.14621	11.9
452.21652	2.7
462.20074	9.3
478.19760	5.3
598.25696	47.8
598.35132	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	598.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07237	0.2
59.01379	0.3
61.19484	0.2
62.87470	0.2
71.01384	0.2
73.73343	0.1
84.04570	0.2
85.02920	0.2
88.34067	0.2
89.02457	0.2
90.33269	0.2
93.03429	0.4
95.72839	0.2
96.96010	1.0
110.90920	0.2
117.03450	3.0
119.05018	100.0
120.05357	0.9
121.02941	0.2
121.67923	0.2
128.03563	0.2
132.05797	0.7
137.02478	0.2
144.04538	0.4
145.02956	19.6
154.99094	0.2
158.21680	0.2
159.08173	0.3
160.01672	0.3
162.05573	0.3
163.04088	0.3
174.05591	0.2
175.04001	0.8
188.07123	0.3
233.13022	0.4
248.17708	0.9
273.16129	2.4
290.18756	21.2
291.18985	0.4
306.42111	0.2
310.84583	0.2
312.20538	0.2
313.25443	0.2
316.16672	21.3
317.16901	0.2
436.22446	60.7
437.23026	1.5
478.23123	0.3
504.46667	0.2
598.28363	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	598.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85419	0.8
58.02748	1.1
58.02993	18.1
59.01381	1.4
61.98862	1.3
65.65166	0.9
66.03485	1.3
72.00886	1.3
74.00687	1.6
74.02076	1.4
74.02477	31.1
76.60938	1.0
81.04586	1.6
82.02981	4.8
84.04556	1.3
86.02473	14.5
86.06104	2.1
86.99081	1.5
87.05620	6.4
87.34064	0.8
91.89472	1.0
97.04061	4.9
98.02402	1.0
99.05637	33.5
100.00409	2.3
101.07183	5.0
102.05595	6.6
104.18336	1.0
107.06110	1.1
109.04058	7.8
111.05644	4.1
112.04035	5.1
119.65954	0.9
123.05642	1.8
124.04054	1.1
125.03553	5.8
127.05151	6.1
128.03531	75.0
129.03760	1.0
134.03725	1.1
135.05646	10.1
137.07213	2.4
139.05074	1.2
141.06671	4.8
143.04626	100.0
145.06122	2.4
146.04575	9.1
146.06142	5.7
149.07234	1.1
153.06755	6.8
155.08238	1.4
156.04521	2.4
160.01662	1.8
162.05589	4.9
166.09903	4.1
167.04663	4.7
167.08295	7.6
169.06171	1.0
170.03294	1.6
172.04066	2.1
175.03996	2.0
179.04626	21.6
181.06230	3.9
185.05606	1.1
187.07829	1.0
190.02737	1.2
190.05145	1.7
192.07735	1.9
197.05635	1.3
205.05168	1.9
206.04625	1.5
210.08856	21.0
228.09993	1.5
254.07828	37.1
272.08905	68.6
291.19717	6.3
318.61084	1.0
325.18671	7.0
397.53250	1.3
469.23932	4.3
495.40146	1.2
580.27124	7.0
598.28149	61.3
598.37915	2.0
599.28516	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	599.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13495	0.2
74.56835	0.2
78.40993	0.2
80.25367	0.2
92.84717	0.2
119.09914	0.3
165.59940	0.2
182.50597	0.3
185.72002	0.3
246.51689	0.3
251.23529	0.3
253.25354	6.0
255.23296	100.0
256.23618	0.6
284.65878	0.3
299.25906	11.8
310.60385	0.3
359.02704	0.3
560.78937	0.3
599.37708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	11.6
61.98820	3.0
64.45057	2.2
66.38491	2.2
66.39011	2.5
74.02477	21.8
79.17117	3.1
82.02989	3.9
86.02449	4.6
86.99104	3.0
87.05640	5.2
99.05626	20.5
119.05033	3.9
122.02454	6.4
127.05119	4.0
128.03529	69.8
134.16035	3.0
135.05638	3.6
141.06667	4.9
143.00876	2.7
143.04622	89.9
146.04581	5.8
153.06717	4.8
160.00734	14.8
162.05600	3.9
166.09814	3.3
167.04568	2.7
177.03471	4.4
179.04672	20.0
206.04591	4.2
210.08868	16.9
254.07817	17.1
272.08899	29.0
288.06665	10.2
306.07651	100.0
326.08368	2.7
553.24677	2.8
600.29535	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	600.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	16.5
59.01378	1.2
66.03492	1.1
68.05048	0.8
74.02479	27.2
81.04572	2.1
82.02972	4.0
86.02475	12.2
86.06120	1.4
87.05621	7.3
88.04030	1.1
97.04060	5.3
99.05637	27.5
100.00358	1.8
101.07191	4.5
102.05569	5.3
107.06166	1.5
109.04048	6.8
109.07697	1.5
110.02493	1.1
111.05638	1.3
112.04015	1.7
125.03535	2.4
126.26649	1.0
127.05098	4.2
128.03520	66.8
135.05646	8.6
137.07166	1.9
140.02304	1.0
141.06665	5.5
143.04619	100.0
145.06218	2.2
146.04581	6.9
151.05197	1.1
153.06700	5.3
153.09154	1.4
155.14442	1.5
166.09843	2.0
167.04607	4.7
167.08220	6.1
170.03357	1.3
171.04115	1.7
179.04626	17.7
181.06140	1.9
181.15883	1.2
184.09236	1.5
185.05589	1.8
186.10812	1.5
187.07973	1.6
192.07776	1.1
197.05733	1.9
198.93080	1.1
205.38179	0.9
210.08858	17.1
254.05347	1.9
254.07829	34.1
272.08887	60.1
293.21204	4.7
314.23822	0.9
326.07321	1.0
327.19958	7.0
424.51328	1.0
471.25281	4.6
530.45074	1.1
544.57367	1.0
582.28613	7.5
600.29651	60.8
601.29871	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	600.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45728	1.3
58.02980	11.8
74.02473	24.0
82.02998	2.3
86.02489	10.2
86.06081	1.9
87.05636	6.6
89.98808	1.5
90.00171	2.6
97.04067	2.5
99.05637	22.0
101.07171	2.2
102.05605	2.3
107.06107	1.5
109.04101	2.2
111.05637	1.7
116.01736	1.8
123.05637	1.8
125.03538	1.9
127.05116	2.4
128.03532	54.5
135.05630	7.5
141.06700	2.6
143.04626	81.4
145.06195	2.7
146.04582	3.1
153.06715	5.3
160.00735	18.4
162.05536	1.7
166.09880	3.0
167.04599	7.6
167.08295	1.6
171.27934	1.4
173.70831	1.4
177.03368	5.9
179.04637	12.3
185.05630	1.9
208.01500	2.0
210.08879	13.8
254.07906	15.4
272.08951	25.2
288.06595	6.7
306.07706	100.0
321.02472	1.5
392.12103	1.4
522.21625	1.8
524.02795	1.7
600.29108	1.9
619.67084	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68394	0.1
56.62714	0.1
58.34477	0.1
59.01349	0.1
61.72179	0.1
61.75377	0.1
62.53921	0.1
64.44900	0.1
69.58062	0.1
77.22848	0.1
78.95902	19.0
79.95742	1.8
92.12378	0.3
93.54433	0.2
96.96010	100.0
96.96954	30.1
119.64088	0.1
139.70706	0.1
173.52856	0.2
259.02399	1.1
305.62344	0.1
371.42645	0.1
495.65735	0.2
503.15863	0.2
598.18573	0.2
601.14050	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	601.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
59.01385	13.2
61.98819	1.3
71.01379	6.4
73.02944	3.8
75.12949	0.3
83.01385	2.4
85.02934	1.7
87.00867	4.1
89.02434	2.8
92.11717	0.7
96.95979	0.6
101.02435	4.4
113.02423	3.9
119.03490	0.5
121.02922	0.4
125.02428	0.8
131.03526	0.5
132.02161	22.2
134.03738	4.5
137.02444	0.8
146.06114	0.5
149.06087	0.5
160.01654	95.6
161.02209	0.6
161.04564	2.1
162.05605	3.7
164.04689	0.4
175.03996	100.0
176.04350	0.4
188.03442	0.6
189.71803	0.4
193.05023	4.6
206.04555	1.4
323.09891	0.7
337.09262	4.4
341.10928	1.8
383.12033	5.5
397.32440	0.4
399.28668	0.4
541.15698	2.7
559.16663	1.9
601.17950	7.6
601.39124	0.5
612.20386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	13.0
61.98825	5.5
69.01653	0.8
71.01385	5.8
73.02951	4.2
80.07941	0.9
83.01363	1.1
85.02935	1.2
87.00889	3.6
87.25573	1.0
87.41351	0.8
89.02449	2.1
93.03445	1.0
96.96013	4.8
101.02435	4.9
113.02442	4.6
115.92053	1.0
123.00965	1.1
127.61847	1.0
132.02158	21.9
134.03773	6.9
144.04544	1.9
146.06143	1.4
160.01651	95.4
160.03993	4.1
161.02457	1.2
162.05571	8.8
175.03992	100.0
182.02225	1.5
188.03500	1.7
190.05190	1.3
193.05061	3.5
197.04669	1.9
205.05043	1.6
206.04700	3.9
230.64795	0.9
249.80573	1.1
261.11340	1.1
337.09473	3.1
341.10910	1.7
383.11935	3.6
401.03204	0.9
406.22888	1.0
541.15961	1.3
565.15875	1.2
587.68433	1.0
601.17566	11.0
602.18872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31525	0.4
59.01374	3.2
59.26328	0.5
61.98826	2.4
67.04443	0.5
71.01358	0.9
78.18862	0.5
89.02449	0.7
93.03439	0.7
96.16916	0.6
96.95988	3.1
98.30687	0.6
113.02352	0.5
119.04989	0.9
121.02890	0.6
132.02147	2.5
133.02924	4.8
134.03729	100.0
135.04521	33.4
135.37650	0.5
137.02411	1.1
145.02850	1.1
146.06071	0.9
147.04482	1.2
148.04132	0.8
148.05273	2.8
149.06076	62.4
153.01892	0.7
155.40092	0.5
160.01634	7.7
160.03989	1.1
161.02484	4.9
161.04460	0.6
161.06056	1.0
162.03348	0.6
162.05609	4.9
172.25005	0.5
175.02725	0.9
175.04015	9.2
176.03526	1.2
186.05496	0.6
188.03488	2.5
190.05054	3.4
193.05049	1.0
204.06648	5.0
206.04597	2.7
230.08199	0.6
231.08981	2.8
232.09662	0.6
243.15724	0.6
247.10873	10.4
248.11597	3.6
263.13907	2.3
273.08774	9.3
274.09595	31.4
275.10602	1.5
289.11966	39.5
289.48694	0.6
291.42230	0.6
297.63745	0.6
312.40451	0.5
398.81882	0.7
423.15350	2.8
439.18777	90.5
440.18912	3.6
449.58649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13360	0.4
59.01395	4.2
64.34618	0.6
65.39803	0.5
67.42281	0.4
71.01380	3.7
73.02942	0.9
77.74727	0.4
82.73794	0.5
82.95411	1.9
83.01359	0.5
85.02930	1.1
85.31724	0.5
89.02428	2.3
90.28563	0.5
93.03446	0.8
96.95988	4.3
101.02430	2.8
113.02423	1.1
116.05049	0.6
120.04423	0.5
121.02888	1.2
131.03755	0.7
132.04539	15.4
134.06113	0.7
144.03462	0.8
144.04553	22.7
145.03015	0.7
146.06096	2.6
147.03244	2.5
149.05835	0.5
160.04031	60.5
161.04509	0.8
162.05600	79.2
177.31979	0.6
178.05112	11.3
184.41109	0.5
188.03522	100.0
189.03757	0.6
190.05058	2.1
206.04587	16.5
249.06088	0.7
251.11162	0.6
306.07617	0.7
371.09918	1.2
440.15631	62.5
441.15820	1.0
602.20966	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16861	0.5
55.01876	1.2
57.03453	100.0
59.01382	76.9
66.39120	0.6
71.01378	29.0
73.02932	9.7
75.00890	0.8
76.69436	0.6
81.03439	1.2
83.01372	5.7
85.02947	13.3
87.00883	0.9
87.04494	0.7
89.02423	6.2
89.06097	0.8
89.48959	0.5
95.01373	1.4
96.95984	4.1
97.02946	0.6
99.00858	3.2
99.04508	62.1
101.02429	42.6
106.91127	0.6
113.02435	14.2
119.03464	0.9
119.05121	0.8
125.02426	31.3
143.03510	4.4
147.03233	1.4
159.03023	4.1
160.03966	0.9
161.04541	20.3
162.05612	16.6
188.03423	1.5
206.04643	5.1
233.10324	1.4
251.11353	47.0
293.12439	26.6
333.15567	5.4
351.16571	2.8
395.15588	88.9
396.15933	1.4
570.43567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03458	100.0
59.01387	76.4
71.01382	27.4
72.93361	0.6
72.99300	0.9
73.02947	7.4
74.10343	0.6
74.66721	0.6
75.00877	0.7
78.95918	1.2
81.03446	0.9
83.01393	6.4
85.02956	14.3
87.00881	1.0
89.02438	6.3
90.42393	0.7
92.12360	0.8
93.03447	5.6
95.01373	1.0
96.96004	18.2
99.00898	5.4
99.04514	63.2
100.07761	0.6
101.01762	1.7
101.02438	44.6
111.88117	0.7
113.02457	14.3
119.03500	3.1
125.02438	29.2
137.02446	7.8
142.13826	0.7
143.03561	5.0
159.03038	2.9
160.04065	3.0
161.04573	19.2
162.05626	14.0
206.04688	3.9
233.10297	2.6
251.11368	51.1
293.12454	27.1
333.15570	6.4
351.16513	2.9
395.15613	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.9
61.98820	3.3
71.01384	5.8
73.64521	0.6
82.95404	1.5
85.02936	1.3
89.02417	1.5
92.11797	1.5
96.95981	1.6
101.02430	3.0
108.62384	0.7
113.02363	0.9
119.05006	1.2
132.04546	13.3
137.02414	0.7
144.04544	19.4
146.06081	0.9
160.02921	1.1
160.04021	54.8
162.05600	72.6
169.94540	0.7
175.04031	1.1
178.05133	9.6
178.75476	0.9
188.03525	100.0
189.67546	0.8
191.44946	0.8
206.04579	16.0
440.15652	76.2
441.15967	1.2
468.33810	0.8
554.35809	0.8
602.20844	20.7
619.03302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
73.64164	2.6
80.57245	2.5
91.30395	3.0
92.12386	6.0
111.53464	2.8
113.40882	2.6
115.75832	2.8
119.56618	2.8
128.72136	3.3
139.11246	5.2
147.38693	3.1
171.10286	15.7
211.13402	4.0
230.28041	2.8
255.23332	85.6
293.21280	19.5
311.22293	100.0
312.22482	3.3
329.23383	5.6
422.00043	3.3
567.46295	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.1
55.71693	1.3
59.01377	1.1
62.96414	2.7
78.95908	100.0
92.12278	1.2
94.99044	2.4
96.90548	1.0
104.97455	7.4
108.49396	1.4
110.97829	2.0
110.98531	41.3
116.92857	1.7
134.98526	2.1
136.93236	7.3
137.00069	4.3
167.01141	59.3
169.23549	1.1
178.94269	34.7
196.95341	2.5
208.95340	5.5
208.97108	1.3
264.97852	4.5
279.23279	13.3
282.99033	22.3
317.62595	1.2
399.16193	15.6
457.16998	2.6
484.30884	1.2
485.19913	2.4
536.73523	1.3
545.22046	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27246	0.2
57.03465	0.4
59.01373	0.5
64.34290	0.3
73.28387	0.3
78.83441	0.2
78.95891	0.3
84.51345	0.3
88.58312	0.3
92.12435	0.3
96.96001	8.7
97.06567	0.7
123.08131	0.5
125.09717	3.6
139.11340	0.4
141.09196	2.2
141.12854	0.7
152.99623	0.4
153.09195	1.3
155.14391	2.3
157.12315	1.3
162.36815	0.3
171.10307	2.2
173.41788	0.3
183.01329	0.4
183.13885	0.5
185.11797	0.4
199.09702	0.4
200.10545	2.6
220.14653	0.5
221.15411	0.5
235.17020	4.6
236.10538	0.5
239.23822	0.5
245.83656	0.3
249.22231	2.6
265.21722	0.3
267.23315	1.8
275.20215	7.5
279.23239	1.9
283.22903	0.5
293.18042	0.6
293.21225	17.5
311.22311	100.0
312.22595	2.1
425.09338	0.3
507.27457	1.2
508.27841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72906	0.2
51.18531	0.2
54.61581	0.2
54.82605	0.2
57.03432	1.0
97.03009	0.2
111.08171	0.3
123.08112	0.3
125.09708	1.3
127.25093	0.2
137.09740	0.4
139.11285	3.5
141.09186	0.5
141.12851	1.5
143.10812	0.9
153.09232	0.3
155.10799	1.7
155.14365	0.4
157.12364	0.3
167.10786	4.8
167.14432	0.3
169.12488	0.3
171.10234	0.3
181.12299	0.3
183.10234	0.5
185.11809	1.1
205.28755	0.2
208.71011	0.3
213.11435	0.3
214.12093	1.3
239.23869	0.4
249.22307	1.4
255.23195	0.3
265.21738	1.3
267.23309	1.1
275.20126	0.9
283.22726	0.5
293.21259	12.4
311.22305	100.0
312.22659	3.1
321.42377	0.2
345.31241	0.2
406.85339	0.2
441.28403	0.2
587.43256	2.1
605.44440	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	607.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73388	0.5
52.69762	0.5
52.75368	0.5
59.01383	4.3
59.69640	0.5
60.48015	0.4
69.57469	0.5
71.01358	1.0
72.99299	1.3
83.62778	0.6
85.02935	1.1
89.02441	0.8
91.39072	0.5
92.57761	0.5
93.03441	80.6
99.00883	0.7
113.02423	0.9
113.41817	0.6
117.03432	5.0
121.02931	0.6
132.02156	3.7
133.02983	2.2
134.03723	88.1
135.66830	0.5
137.02432	90.0
138.94260	0.6
139.04041	2.2
145.02907	0.6
149.06088	13.4
152.43390	0.6
153.01936	0.6
160.01640	13.7
160.04095	0.6
162.05621	1.0
175.04005	17.1
178.02707	28.9
179.03471	0.9
182.83032	0.6
193.05058	100.0
195.68575	0.6
208.71689	0.8
265.31729	0.6
308.03302	2.5
323.05704	5.2
341.06644	1.0
413.10889	17.0
431.11835	5.8
443.09775	1.0
486.92575	0.7
506.13593	0.7
607.16748	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	607.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82546	1.4
73.37866	1.5
74.03275	1.2
78.95900	100.0
82.97535	1.4
95.26970	1.4
96.95986	7.9
96.96947	7.6
98.95585	3.2
99.92567	8.8
102.83112	1.5
110.32328	1.3
114.01396	1.4
115.92079	37.9
116.92844	33.2
120.96975	1.5
138.97997	1.6
150.98000	6.5
152.99591	44.4
164.90491	1.5
171.00641	2.5
172.95419	2.5
179.89218	36.1
180.90007	27.0
181.90755	8.2
196.89484	53.0
205.90764	2.5
206.91364	1.7
234.13348	1.6
235.91817	11.0
236.92656	14.7
277.21674	5.5
279.23337	13.5
280.23553	2.3
445.23419	2.1
499.15707	8.0
516.15991	2.2
559.17456	3.5
571.17883	7.2
589.18597	2.5
607.19843	68.0
607.37299	6.6
608.20435	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	607.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.03924	0.3
61.98827	0.6
68.70072	0.4
71.01373	0.7
89.02419	0.3
92.12070	1.6
101.02420	0.3
108.02189	0.3
116.05025	0.5
119.04998	0.5
121.02944	0.8
122.03729	0.8
123.00823	1.9
123.04486	0.5
124.01584	0.6
133.02908	0.4
134.03696	2.2
135.04503	0.4
136.01651	1.6
137.02412	6.5
143.05009	1.4
144.04507	0.7
144.46741	0.4
145.02943	1.5
146.03682	1.5
146.06114	1.5
147.03438	0.5
147.04526	6.2
149.02415	2.4
150.03212	8.0
151.02818	0.7
151.03995	13.2
152.04745	1.4
158.03711	6.7
159.03177	0.7
159.04509	18.3
160.01712	1.0
160.04150	2.3
160.05286	51.6
161.02408	1.5
161.06079	15.8
162.03271	0.4
162.05573	4.1
163.04013	7.1
164.04779	9.3
166.06329	1.6
167.07079	0.4
172.04085	0.5
173.06062	7.1
174.05528	0.5
174.06924	0.5
175.04030	1.5
175.07629	38.6
176.04750	1.9
177.05560	12.6
178.06342	8.7
179.03548	0.6
180.38484	0.3
184.03735	0.5
188.03471	1.9
189.62163	0.4
190.02545	0.4
190.05089	0.6
191.07124	0.7
192.07961	1.4
193.05032	0.5
193.08743	3.0
193.35764	0.3
198.05295	1.3
206.04593	1.7
233.04610	0.5
295.83847	0.3
303.06686	0.4
329.10434	1.3
344.12854	0.4
359.15024	100.0
360.15332	1.9
497.97269	0.4
555.33612	0.4
607.20129	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	607.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.5
57.03452	2.6
58.00592	2.7
59.01391	100.0
61.98854	0.5
71.01385	70.9
72.99313	3.6
73.02946	16.3
76.23495	0.6
83.01392	4.0
85.02955	13.2
87.00887	4.6
89.02439	91.9
93.03437	0.7
95.01358	5.4
97.02902	0.9
99.00890	0.9
101.02436	73.5
111.35606	0.5
113.02441	31.4
116.00103	0.7
119.03487	34.1
121.35960	0.6
125.02439	3.8
131.03476	6.5
137.02443	3.4
143.03497	8.2
149.04524	2.5
161.04564	20.2
172.69185	0.7
179.05608	74.8
200.51224	0.7
205.12344	1.0
221.06671	20.0
226.55917	0.7
251.11371	3.6
311.09967	0.7
319.10446	5.3
323.09808	3.0
341.10681	5.5
353.99356	0.8
547.24036	2.9
584.00000	0.8
604.92261	0.7
610.90411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86024	0.3
58.02985	44.6
63.67193	0.3
64.69459	0.2
78.95908	0.7
135.42482	0.3
149.09857	0.3
151.11310	0.3
168.13942	41.8
171.04486	0.4
173.35320	0.3
183.04585	0.4
184.05254	0.4
186.06761	0.6
199.03984	2.2
211.04092	0.5
212.13005	1.5
214.06415	0.6
218.05818	0.5
226.05098	0.5
227.03606	4.5
227.07263	2.9
239.03540	1.1
240.04306	0.6
241.05132	1.9
242.05885	15.1
242.12288	0.3
243.06593	1.4
255.06725	13.2
256.03760	0.3
256.07245	0.6
257.05603	0.7
257.08224	13.4
258.08115	0.7
270.07709	5.3
272.09363	0.5
280.12308	0.3
302.07950	1.1
337.14523	1.5
380.18835	1.4
408.18198	2.7
409.20114	0.5
411.20346	0.5
422.19699	0.4
423.20621	7.6
426.23019	3.7
438.22916	30.1
439.22641	2.6
458.66074	0.3
589.20074	0.3
592.35199	0.5
607.37653	100.0
608.38019	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	607.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52437	0.4
55.82168	0.3
57.03447	0.5
59.01377	0.9
60.28749	0.3
62.96430	0.4
64.35031	0.4
68.41336	0.3
78.95471	0.6
78.95902	10.9
82.81719	0.3
85.02950	0.8
96.96952	0.6
97.06586	0.7
99.92564	0.7
103.44964	0.4
115.92049	3.9
116.92889	2.8
125.09701	3.0
139.11287	0.7
140.48024	0.3
141.09219	2.4
141.12851	1.6
143.10680	0.4
151.07703	0.5
152.99597	5.4
153.09222	1.5
155.14417	2.1
157.12384	0.7
159.89682	0.4
160.90997	0.3
169.12361	0.8
171.00648	0.4
171.10301	1.7
179.89255	2.8
180.89998	2.2
181.16014	0.6
183.01213	4.8
184.02165	0.4
196.89490	5.1
200.10558	3.4
206.91483	0.4
235.91914	0.6
236.92638	0.5
246.39883	0.4
249.22211	3.3
265.21759	2.0
267.23407	2.0
275.20197	0.9
277.21667	3.0
279.23376	0.5
293.21255	8.0
295.22818	30.2
296.23068	0.7
311.17114	11.6
311.22327	100.0
312.22641	1.6
369.27402	0.4
589.18500	0.6
607.19617	5.2
608.20007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08924	0.5
51.28404	0.4
51.84195	0.5
52.71602	0.5
57.03440	3.2
59.01343	0.5
61.98830	0.8
70.58384	0.6
78.95909	2.9
83.45685	0.5
92.12348	0.8
96.96006	2.4
97.06567	1.2
113.09702	1.1
116.92847	2.6
122.48324	0.6
125.09701	7.2
125.87338	0.6
136.44177	0.6
141.12837	1.0
149.09734	2.8
157.86235	0.8
171.10294	2.2
185.11824	10.0
197.11873	2.9
219.85545	1.0
249.22404	0.7
275.20206	1.2
277.21652	4.8
279.23270	1.1
281.24768	1.1
293.21255	100.0
294.21548	9.0
295.22699	9.5
311.19006	0.7
311.22168	4.9
311.25534	0.6
430.67813	0.6
572.11407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.2
58.96344	1.6
59.01377	3.3
77.45003	1.7
79.21627	1.5
87.20178	2.0
92.12418	2.0
92.54433	1.6
93.30520	1.7
99.08137	1.8
99.81403	1.8
111.42645	1.8
113.09703	2.6
116.92788	2.2
125.09723	1.9
127.04777	1.7
127.11298	1.6
127.96804	2.2
139.11284	11.6
164.82635	1.8
171.10271	52.7
193.12350	2.3
195.13925	11.0
206.40796	2.0
211.13524	13.7
229.14493	8.3
265.26550	1.9
277.21753	47.2
293.21249	29.4
295.22812	100.0
311.22333	81.4
329.23380	16.7
430.42300	2.3
590.10059	1.9
607.45880	87.5
608.46533	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61308	0.9
56.47181	0.9
57.03448	1.8
59.01405	1.0
65.18935	1.0
67.97896	1.0
92.11741	2.7
95.04994	0.9
97.06534	1.1
99.08132	1.1
116.92841	1.7
121.10221	1.6
125.09714	4.9
127.11301	4.9
139.11278	10.1
140.08882	1.1
152.00937	1.1
155.10728	1.4
171.10269	90.3
172.10612	1.6
181.18642	1.0
183.10182	1.7
185.11852	5.3
195.13892	5.8
201.11317	15.4
201.30766	1.1
209.58005	1.2
211.13528	2.1
229.70148	1.0
266.11383	1.1
275.20117	5.6
277.21725	42.9
279.23212	2.2
293.21375	12.6
295.22794	96.8
296.23264	1.7
311.22308	100.0
312.22629	2.1
329.23355	7.5
607.45984	35.1
608.46594	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	608.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48578	0.4
54.82592	0.5
59.01110	0.6
59.01391	12.5
59.51432	0.5
61.98822	1.0
71.01380	8.2
72.99337	0.6
73.02953	0.9
75.00911	0.6
83.01373	0.6
85.02958	1.0
86.73773	0.5
87.00864	0.6
89.02440	7.9
95.01393	0.5
101.02423	5.5
113.02428	2.5
119.03485	3.1
121.01700	0.7
122.02465	16.4
123.03260	3.7
125.02444	1.0
128.03514	0.6
131.03557	0.5
133.01691	3.9
138.05603	26.4
143.04578	0.6
146.06155	0.6
148.04065	4.7
149.01181	100.0
150.01843	0.6
160.04082	0.7
162.05556	2.5
164.03531	50.5
166.05080	8.0
179.02295	3.5
179.05658	2.6
192.03047	13.1
194.04587	32.5
221.06604	0.8
224.05687	2.8
233.91193	0.5
253.80716	0.6
323.09903	3.1
368.09970	0.5
518.15149	7.5
553.62451	0.6
572.20892	0.6
634.76404	0.5
638.94098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93532	0.6
59.01118	0.7
59.01390	17.0
64.83440	0.7
70.16830	0.7
78.95900	17.6
91.12356	0.7
116.92829	1.6
121.06029	0.8
139.11278	1.0
152.17686	0.7
152.99568	1.8
168.04321	2.9
224.06964	5.8
283.94427	0.9
295.22656	0.9
296.23224	1.7
309.28027	100.0
310.28369	4.2
534.35699	53.3
535.36023	3.9
568.01617	1.0
607.45789	1.0
608.46246	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	609.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92662	0.2
59.01389	6.0
59.82915	0.2
60.01699	0.3
61.12708	0.2
61.98844	0.4
71.01392	4.0
72.01709	0.3
72.99262	0.2
73.02963	0.5
82.95367	0.4
84.76785	0.2
85.02954	1.2
85.58939	0.2
87.00879	0.4
89.02441	4.5
89.67480	0.2
93.03450	2.0
93.35525	0.2
101.02432	3.5
101.58782	0.2
102.02765	0.5
113.02419	1.3
119.03455	1.7
122.77617	0.3
127.96017	0.3
137.02438	1.4
152.98253	0.5
153.05644	0.3
153.99081	13.6
157.07193	0.2
161.04558	1.0
167.03542	0.6
168.00600	1.8
169.01427	100.0
179.05693	2.1
180.05925	0.6
183.02945	2.8
184.03772	73.7
185.04022	0.4
199.06137	60.6
200.06491	0.3
221.06660	0.6
269.18707	0.3
297.67667	0.2
319.10889	0.3
343.10257	0.5
361.11462	16.7
369.06265	0.4
403.07489	0.5
403.12482	12.2
494.20523	0.3
506.19205	0.3
549.25330	1.4
609.14752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88813	0.2
56.17368	0.2
59.01382	6.7
61.98198	0.3
71.01382	1.3
72.99310	0.6
73.02931	0.4
73.31268	0.3
78.95857	0.3
85.02969	0.6
88.98799	0.5
89.02430	3.1
91.03992	2.1
93.03454	0.8
96.96022	0.4
101.02436	0.7
113.02428	0.5
121.02908	0.6
123.04567	0.4
125.02330	0.3
132.02153	1.4
133.02940	21.1
134.03743	3.7
134.50572	0.3
135.04515	46.3
136.04863	0.6
137.02405	3.0
139.04018	0.4
141.45428	0.4
153.99084	1.8
160.01611	2.2
161.02440	86.1
162.03017	1.0
162.05777	0.3
163.04031	0.4
169.01408	12.2
175.04037	2.3
176.04332	0.5
178.02710	1.3
179.03488	13.9
180.03044	0.4
184.03770	8.6
199.06114	6.1
205.05113	0.4
219.24709	0.3
220.06181	0.3
231.53383	0.3
252.06406	0.4
253.07179	100.0
254.07442	2.2
361.11523	1.2
403.12219	2.0
429.11496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2688
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
51.03170	1.3
59.01374	2.3
61.98830	2.8
66.65485	1.5
71.05014	1.5
71.43980	1.7
76.04752	1.5
78.95901	70.6
83.05020	1.8
96.96954	11.7
111.43772	1.6
134.22162	1.8
152.99580	83.2
187.22743	1.7
202.55417	1.5
223.00166	8.9
235.17088	12.2
241.01224	23.5
271.52582	1.6
275.20178	13.3
293.21094	15.6
315.04858	14.5
532.30157	1.7
554.33380	1.6
609.26837	100.0
610.27209	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	609.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47598	0.4
54.82378	0.5
55.01884	2.3
55.72551	0.5
57.03444	1.1
58.00586	3.2
58.01077	0.5
59.01385	100.0
61.98835	2.4
71.01381	72.3
72.99311	4.3
73.02943	12.0
75.00862	0.6
76.57173	0.5
83.01390	4.5
85.02954	15.3
87.00891	6.1
89.02444	87.1
95.01388	5.3
96.95989	0.8
97.02909	1.1
99.00892	0.9
101.02443	61.9
102.02769	0.5
113.02454	30.4
117.24870	0.6
119.03497	33.0
125.02429	3.6
131.03514	9.0
133.02934	3.6
134.03317	2.2
143.03534	7.3
149.01199	4.3
149.04568	2.4
150.06587	0.6
153.99069	6.0
161.02477	12.7
161.04543	18.8
162.02795	6.7
164.03470	1.0
165.19615	0.5
168.00624	1.2
169.01419	51.4
170.01752	0.9
179.05611	83.0
183.02922	1.0
183.85039	0.5
184.03770	33.7
185.04074	0.7
199.06128	27.0
221.06697	22.5
275.83798	0.7
281.08652	1.2
293.63431	0.6
315.69156	0.6
319.10373	0.7
323.09756	2.2
335.85333	0.6
341.10950	4.5
343.10516	0.9
361.11465	5.7
362.12115	0.7
375.24698	0.6
403.12622	5.5
487.44897	0.6
497.01639	0.6
546.15686	4.6
547.15869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21718	0.2
53.30299	0.1
58.79783	0.2
61.04549	0.2
62.71038	0.2
68.94788	0.2
69.19156	0.2
71.01373	0.2
92.12283	0.4
110.98360	0.2
130.97911	0.2
163.41667	0.2
180.26929	0.2
183.39046	0.2
184.00351	0.2
200.69611	0.2
237.82391	0.2
239.52950	0.2
279.23294	100.0
280.23611	4.6
299.73801	0.2
566.98425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52134	76.7
55.88410	68.8
91.68578	85.6
125.58437	75.2
233.78989	84.8
284.11636	82.6
485.44974	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	611.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22723	0.2
54.82542	0.2
59.01396	1.7
61.98833	3.0
65.00331	0.6
71.01402	1.1
72.99323	1.4
79.01854	0.2
81.03445	0.3
83.01385	0.4
83.44473	0.2
85.02988	1.2
91.01886	4.1
92.92819	0.3
93.03468	0.9
96.96041	0.2
99.00900	0.4
101.02438	0.5
108.02174	28.3
109.02974	0.9
111.00891	1.0
113.02504	1.0
121.02958	1.0
123.04519	27.7
124.01643	0.4
125.02463	0.4
137.02493	1.1
152.01160	59.3
153.01694	0.5
161.02431	1.7
162.02010	0.3
162.05611	0.3
166.02817	0.3
167.03496	100.0
168.03839	1.1
185.13179	0.2
191.67181	0.2
207.06610	0.3
252.98508	0.2
443.12015	28.2
461.12698	0.5
611.08173	0.3
611.16260	5.7
611.25470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83106	0.5
54.83376	0.4
55.01884	0.5
58.04935	0.5
59.01370	3.0
61.10030	0.6
61.98813	2.9
71.01374	2.2
72.99297	1.2
82.72804	0.4
83.01386	2.0
85.02935	1.1
87.00790	0.5
89.00336	1.8
89.02438	0.7
91.01844	1.0
91.26989	0.5
92.61245	0.5
93.03448	72.3
95.01361	2.1
96.96011	0.7
99.00856	0.8
105.01896	0.7
106.00596	2.4
108.02132	0.7
119.05015	0.9
121.02950	38.8
123.00880	15.7
127.00275	0.8
137.02441	77.7
138.03253	9.0
139.00333	0.6
140.18367	0.5
152.01144	2.4
153.05571	28.4
161.02347	0.7
163.03989	2.8
166.99854	19.5
167.03493	3.0
179.03522	0.6
181.01353	0.8
182.02208	50.2
183.02705	0.7
197.04562	100.0
198.04779	0.8
198.73526	0.5
359.16943	0.9
401.12186	0.6
413.10901	25.6
431.13528	0.9
482.08862	0.7
611.15747	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	611.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45686	1.2
56.20478	1.1
59.01379	6.5
61.98825	1.9
65.17595	1.1
71.01374	6.2
85.02936	2.6
85.46655	1.5
89.02431	2.5
93.03440	10.7
96.02826	1.4
96.96007	2.5
101.02436	5.6
102.93059	1.4
106.07761	1.2
106.67492	1.2
113.02394	1.3
116.92856	17.0
117.92869	7.4
118.92693	6.8
119.01383	2.9
119.03481	2.0
121.02933	3.1
133.02927	6.9
134.03679	5.0
135.04509	3.0
137.02412	22.3
149.02420	19.0
150.03239	1.6
152.01170	2.7
153.01906	3.3
160.04004	2.0
161.02440	20.4
162.05626	8.5
163.03998	2.8
164.04790	17.6
165.01921	92.5
166.02600	2.3
167.03471	5.4
168.04210	1.6
175.00345	21.2
179.03447	2.1
179.07166	2.8
180.04283	67.5
181.04955	1.8
188.03532	2.5
190.02715	68.1
191.03418	3.0
193.01404	2.6
195.06622	100.0
205.05075	56.7
206.04570	1.9
208.03790	5.6
223.06117	23.7
225.07610	5.5
367.10358	74.8
389.12088	1.6
491.26755	1.9
575.19720	7.0
611.19714	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43275	0.6
60.59494	0.6
60.78769	0.6
61.98830	1.1
78.95892	1.0
112.37608	0.8
114.39642	0.7
119.05012	1.2
134.03737	1.1
135.04509	2.8
149.06055	0.9
150.15157	0.7
156.23520	0.7
167.61159	0.7
191.99271	0.6
277.03729	1.3
292.06384	1.0
304.06287	2.6
305.03479	0.9
318.07645	0.9
319.04758	1.0
323.04340	2.7
332.05722	2.4
333.02698	1.0
347.04449	1.0
360.04907	1.6
374.06766	1.2
376.10767	1.4
379.03409	1.2
395.06006	1.0
403.09525	1.2
404.10199	2.8
405.10791	1.0
510.14499	1.1
525.16620	1.3
535.14856	4.9
537.12671	1.5
538.13702	1.6
549.16754	0.8
551.14838	1.7
552.15253	0.9
553.16119	7.8
563.14368	3.8
566.13281	7.5
567.17987	1.4
568.17627	0.9
577.16333	2.7
580.15125	1.1
581.15637	18.5
582.16394	1.0
595.17450	12.0
596.17914	5.3
611.20380	100.0
612.21008	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	611.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66780	0.5
55.71056	0.5
59.01376	1.2
61.90092	0.5
61.98833	1.2
74.45502	0.5
78.95899	56.1
96.91518	0.6
96.96955	12.4
101.12160	0.6
111.88680	0.7
113.09706	2.3
113.26697	0.6
121.02932	0.7
121.05963	0.6
135.43181	0.6
150.97987	0.8
152.99583	81.6
171.00639	1.2
177.12955	0.6
183.13853	3.2
195.13902	16.1
223.00131	11.2
241.01198	26.7
259.02298	2.5
277.21729	17.8
295.22803	28.7
315.04938	11.5
333.05917	1.0
611.28424	100.0
612.28967	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	611.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.4
61.98842	9.7
62.05067	0.9
75.75040	1.0
78.95900	59.4
88.49342	1.1
93.03384	1.3
96.96958	13.3
101.03776	1.1
113.09707	1.6
130.90857	1.2
137.02448	1.2
140.26079	1.3
148.91888	1.1
152.99593	70.1
171.00606	1.6
195.13937	22.0
206.11888	1.1
223.00127	9.7
240.10522	1.0
241.01227	21.3
245.11743	2.1
267.24612	1.2
277.21744	19.6
294.37329	1.2
295.22833	54.6
315.04871	8.2
413.98065	1.2
519.95306	1.2
522.29395	1.5
611.28424	100.0
612.29205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.98827	2.6
74.97860	1.5
78.95906	59.0
89.92816	1.5
93.03460	2.7
96.96966	12.4
103.68421	1.4
110.30128	1.4
116.31752	1.5
137.02449	9.1
137.57652	1.3
152.99609	63.7
171.10291	12.4
177.43907	1.4
195.13898	10.9
223.00056	2.1
241.01259	23.3
259.02322	1.7
261.71307	1.6
277.21780	26.1
282.87653	1.5
295.19867	2.7
295.22827	43.1
315.04913	6.3
370.30731	1.6
467.25656	1.4
611.28455	100.0
611.38617	3.2
612.28809	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	611.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04278	0.6
53.37827	0.8
57.83093	0.6
59.01377	1.0
61.98845	1.0
68.99834	0.7
76.04691	0.7
78.95909	61.5
92.67673	0.7
96.96971	14.4
113.09722	1.0
128.98860	0.8
145.75142	0.8
147.63312	0.7
149.43011	0.7
152.99591	78.9
171.10272	22.1
179.84076	0.8
183.40556	0.8
184.28081	0.8
195.13867	3.3
223.00084	8.2
241.01212	24.3
259.02097	1.1
260.38690	0.8
277.21738	26.0
295.22800	22.5
315.04953	9.5
333.05862	1.0
611.28448	100.0
612.28784	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	611.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37516	0.3
59.01364	0.6
60.38788	0.3
77.91948	0.4
78.95896	0.9
84.47120	0.5
105.03470	0.4
116.77811	0.4
119.05078	0.7
127.07693	0.8
128.84192	0.4
133.02940	5.1
134.03737	100.0
135.04532	28.4
135.05569	0.8
147.04523	1.0
148.05290	2.3
149.06087	56.1
150.06418	0.7
158.40817	0.5
160.01657	2.4
160.05438	0.5
161.02492	1.0
161.06091	1.7
162.05548	0.8
171.06686	0.6
175.02693	0.8
175.04027	3.0
176.03432	0.7
190.05072	3.8
204.06667	4.4
231.09029	2.8
232.09821	0.8
247.10890	11.6
248.11620	3.3
249.12512	0.6
261.12595	0.6
263.14093	2.3
273.08780	6.7
274.09619	25.6
275.10260	2.8
289.11975	35.3
373.25037	0.5
423.15756	3.0
424.16544	1.6
439.18790	67.9
440.19113	2.0
635.33722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54507	0.1
54.52019	0.1
54.82811	0.1
60.05977	0.2
61.61955	0.1
73.02943	0.2
78.95894	0.2
79.66489	0.2
99.92578	5.9
116.92856	100.0
116.97231	1.1
117.01917	0.8
117.92868	1.0
138.05714	0.2
152.99615	0.2
232.53081	0.2
255.23271	0.6
267.67184	0.2
348.45590	0.2
480.06332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
60.21480	0.3
61.98843	0.3
69.66057	0.3
70.57754	0.3
73.02956	0.4
79.27577	0.3
91.05530	0.3
92.11760	1.2
99.00889	0.4
99.92567	0.8
107.05011	0.5
116.92857	20.8
116.97260	0.3
117.01962	1.2
117.03454	6.0
117.92877	8.4
118.92655	0.6
119.05019	100.0
120.05334	0.6
133.02942	1.2
134.03735	62.4
135.04521	35.9
136.04901	0.4
137.02473	0.4
145.02956	27.7
146.06125	1.3
148.05284	2.2
149.06078	25.3
150.03262	0.5
159.08133	0.5
160.01703	1.4
161.02402	1.5
161.06097	0.6
162.05614	0.5
172.04012	0.4
175.02722	0.4
175.04024	2.2
176.03534	0.6
178.05174	0.4
190.05145	1.3
204.06668	1.3
209.94244	0.3
218.08366	0.3
247.11017	0.3
262.02887	0.4
269.00659	0.4
273.16144	1.6
287.14023	1.5
299.14111	3.1
304.16718	0.8
316.16699	5.6
330.14725	2.1
331.15359	1.6
342.14624	18.1
346.17691	2.4
348.96872	0.3
399.99799	0.3
408.23099	0.4
449.21136	2.3
462.20361	17.4
466.23480	4.1
476.22269	5.1
492.21494	33.3
493.21756	1.9
612.27228	50.4
613.27863	2.9
631.93762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01374	1.1
76.58781	0.8
78.08970	0.6
92.12489	1.2
94.71233	0.6
95.04993	0.7
96.79049	0.6
98.67470	0.7
99.06670	0.6
113.92731	0.7
116.92851	10.5
117.92854	3.5
123.08109	1.1
125.09694	1.6
141.12796	1.0
142.97807	0.7
151.11235	1.3
171.10266	65.2
174.00627	0.7
191.06769	0.9
207.10143	0.7
209.07994	1.5
233.22850	0.8
249.22256	3.9
277.21725	88.1
278.11795	0.7
278.21973	1.2
295.22791	100.0
296.23096	3.1
317.20969	43.7
318.21115	0.8
361.20047	3.1
363.99023	0.7
613.44574	97.6
614.44891	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	613.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82879	0.3
53.92169	0.3
54.82421	0.3
59.01389	2.8
68.48025	0.4
78.95890	0.8
82.04411	0.4
92.12402	0.5
99.73668	0.4
125.09702	1.6
127.11302	0.5
135.69337	0.4
139.11285	0.4
141.12865	1.6
162.40079	0.4
171.10260	48.4
172.10681	0.4
175.73204	0.4
183.10262	3.5
195.13992	0.5
233.22858	0.6
251.24049	0.6
259.20615	0.7
277.21729	58.9
278.22107	1.5
281.24811	3.8
295.22800	87.5
296.23187	2.7
449.26779	0.9
453.00397	0.4
576.12970	0.7
577.13336	0.6
578.13196	0.5
613.44525	100.0
614.44940	4.4
626.29034	0.5
626.54688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01376	2.5
64.34555	0.5
78.80116	0.5
78.95898	2.5
88.17434	0.5
92.11710	0.5
97.06581	0.4
99.08141	0.6
113.09734	4.1
116.45215	0.5
127.86971	0.5
128.80070	0.5
129.09195	0.5
175.64572	0.4
176.46362	0.4
177.12830	0.8
179.14359	1.8
181.12383	0.6
183.13870	4.9
195.13910	26.4
206.82857	0.6
256.13953	0.4
264.20880	0.4
277.21716	24.5
278.21960	0.5
281.24844	6.5
282.25238	1.8
293.21225	0.5
295.22784	100.0
296.23123	1.9
384.22189	0.4
390.49872	0.5
449.26761	2.0
450.26849	0.7
499.61887	0.5
575.12659	0.5
576.13403	0.9
613.44562	62.1
614.45117	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89251	0.1
76.12264	0.1
79.49116	0.1
94.59258	0.1
97.51206	0.2
107.45963	0.2
255.23311	100.0
256.23639	1.8
337.83972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03024	0.3
54.01493	0.3
59.01378	0.5
60.57169	0.3
71.01391	0.7
71.05016	0.3
77.03957	3.5
83.05029	0.4
89.02425	0.5
89.03962	1.7
93.03450	0.4
95.05016	7.8
105.03451	25.4
106.03807	0.4
112.42568	0.3
117.03426	0.4
119.05008	23.4
122.68800	0.3
123.04503	3.4
130.71169	0.3
132.02153	0.7
133.02942	100.0
134.03314	1.8
145.02957	4.4
146.06035	0.4
151.04041	0.4
159.10403	0.4
160.89236	0.3
161.04510	0.5
161.89409	1.5
162.05644	0.5
162.89322	1.3
168.48470	0.4
177.01918	25.2
178.02301	0.3
187.50940	0.3
190.05060	0.4
206.60680	0.3
250.46642	0.3
269.39423	0.4
282.77704	0.4
290.18753	5.0
316.16678	6.3
327.81677	0.4
379.08231	0.4
436.22452	26.3
437.22839	1.4
451.32678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83311	1.0
58.02982	8.6
59.01379	1.0
61.98829	1.0
65.56229	0.8
72.00891	1.1
74.02465	13.5
80.52081	0.8
82.02996	1.2
84.04530	0.9
86.02474	5.4
86.06123	1.2
86.99090	1.4
87.05634	5.8
90.00175	1.0
97.04064	1.5
99.05635	18.1
101.07186	1.7
102.05598	1.5
104.01423	0.9
109.04057	1.9
109.92336	0.8
111.05643	2.0
112.04050	1.6
113.03538	1.1
116.01656	1.0
123.05653	2.0
125.03539	1.8
126.04328	0.9
126.27183	0.8
127.05131	1.8
128.03529	42.6
132.02151	3.4
133.49464	0.9
134.03741	1.6
135.05630	3.7
137.07152	0.9
141.06670	3.6
143.04628	64.0
145.06192	3.5
146.04608	6.0
153.06641	6.0
153.70003	0.9
160.00549	11.5
160.01715	7.9
166.09837	3.4
167.04593	5.1
167.08311	1.5
175.04013	8.0
177.03430	3.2
179.04610	15.5
181.06248	1.5
185.05739	1.1
197.05725	1.5
210.08865	10.3
242.07982	1.0
254.07822	10.6
270.74393	0.9
272.08902	17.7
288.06601	6.3
306.07703	100.0
611.25586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79489	3.5
58.59297	4.1
59.01387	41.9
61.98816	4.3
66.82327	3.4
71.01377	37.3
78.95879	7.7
79.18459	3.8
89.02431	34.8
91.37571	3.6
101.02421	14.4
113.02425	9.5
119.03481	18.5
152.99506	7.8
153.38174	3.9
179.05550	8.1
215.03310	6.3
255.23318	100.0
281.24820	25.7
282.25095	9.7
323.09793	25.5
341.10901	50.1
579.34082	72.8
615.31390	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01006	0.2
61.98841	0.3
65.40545	0.2
69.16364	0.2
82.70867	0.2
109.29034	0.2
116.92920	0.2
118.92932	0.2
125.90040	0.2
127.39227	0.2
134.89484	0.3
147.08218	0.2
163.11282	100.0
164.11566	1.2
236.41823	0.2
278.21454	0.2
307.22797	31.6
339.23291	52.9
340.23666	1.1
615.42639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30316	0.4
53.40896	0.4
56.69234	0.4
58.02983	9.3
60.44469	0.5
66.03486	0.9
72.00906	1.3
74.02471	18.5
81.04546	0.8
82.02985	2.4
84.04504	0.6
86.02473	6.7
86.06116	0.9
86.99090	2.4
87.05629	4.9
90.00161	0.6
97.04076	2.6
99.05636	19.7
101.07194	2.4
102.05611	3.2
107.06131	0.7
109.04064	3.1
109.07725	0.8
111.05628	1.2
112.04045	3.1
112.80434	0.5
116.01752	2.0
123.05633	2.7
124.04034	0.7
125.03552	2.8
127.05134	3.3
128.03525	44.5
129.99663	0.7
131.04608	0.7
135.05641	6.1
136.89125	0.6
137.07172	1.2
141.06735	4.6
143.04617	66.3
144.01260	0.6
145.06177	2.2
146.04590	6.4
153.06723	4.8
154.91380	0.5
155.65472	0.6
160.00726	16.3
162.05573	3.3
166.09824	2.5
167.04648	4.6
167.05893	0.7
167.08223	2.7
170.03337	0.8
170.08432	0.5
177.03358	6.0
179.04616	12.8
180.07814	0.7
181.06216	1.0
185.05743	2.1
192.07802	0.8
197.05659	1.0
205.04997	0.6
206.04556	1.7
210.08861	12.3
242.07730	1.2
254.07826	11.7
272.08920	21.4
288.06567	7.6
306.07678	100.0
307.08340	0.6
352.58646	0.6
420.35373	0.6
420.81461	0.6
616.29376	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	616.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	7.4
66.03483	0.7
67.75275	0.3
70.02973	0.6
72.00895	0.7
74.02077	0.7
74.02471	15.6
81.04572	0.8
82.02984	2.1
84.04549	0.7
85.04071	0.7
86.02486	7.5
86.06110	1.4
86.99090	1.9
87.05618	4.6
88.04054	0.3
90.00195	1.6
91.50176	0.3
97.04060	2.1
99.05631	15.9
99.15999	0.4
101.07193	2.4
102.05576	2.4
107.06133	0.4
109.04089	2.9
109.07740	0.5
111.05646	1.5
112.04029	2.3
113.03563	0.6
116.01695	0.7
123.05664	0.7
124.04041	0.8
125.03554	1.9
127.05128	3.0
128.03532	41.1
129.99747	0.5
135.05626	4.2
137.07214	1.5
141.06686	3.3
143.04626	58.8
145.06206	2.9
146.04611	4.3
149.07248	0.6
153.06683	4.5
155.08211	1.3
160.00746	14.0
165.09497	0.3
166.09845	3.3
167.04665	4.7
167.08287	3.0
171.07788	0.7
177.03445	4.3
179.04631	12.1
181.06178	1.5
184.10880	0.8
185.05653	1.9
192.07796	1.4
197.05663	1.8
198.08900	0.6
210.08858	10.9
231.04308	0.6
242.07982	0.7
254.07838	12.0
272.08905	17.0
288.06668	5.3
291.19855	1.5
306.07693	100.0
307.08032	1.4
616.29266	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	616.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82544	0.4
58.02713	0.4
58.02979	8.0
61.98828	0.5
66.03481	0.9
67.25941	0.3
70.02943	0.5
70.94232	0.3
72.00901	0.9
72.97270	0.4
74.02469	18.1
74.43861	0.3
81.04556	1.5
81.44318	0.4
82.02985	2.0
84.04536	0.7
86.02470	7.0
86.06097	1.7
86.99092	0.8
87.05616	4.8
90.00163	1.9
96.04504	0.4
97.04076	2.4
99.05632	18.3
101.07193	2.7
102.05587	2.5
107.06159	1.0
108.04535	0.4
109.04060	2.9
109.07742	0.8
111.05645	1.6
112.03987	2.6
113.03565	0.7
114.96858	0.4
116.01723	0.8
119.05012	0.9
123.05638	1.9
124.03970	0.9
124.07723	0.4
125.03539	2.9
126.04313	0.5
127.05135	3.7
128.03523	44.4
131.04616	0.9
135.05618	4.7
137.07198	0.8
139.05078	0.5
141.06686	4.3
143.04619	61.8
145.06189	3.0
146.04597	5.2
149.07103	0.6
153.06714	4.3
160.00725	14.0
160.90565	0.4
163.04013	0.6
166.09877	2.7
167.04683	3.2
167.08258	2.8
170.03287	0.6
171.04135	0.6
171.07709	0.5
171.10434	0.4
177.03365	4.9
179.04637	13.6
181.06200	2.7
184.10938	0.6
185.05663	2.4
192.07806	0.9
197.05713	0.9
210.08841	11.9
228.09993	0.7
228.39687	0.4
242.07814	0.7
254.07816	10.8
272.08887	18.2
288.06604	6.3
291.19650	0.8
306.07672	100.0
598.28156	0.7
616.29230	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	616.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85477	0.1
52.95194	0.2
57.03445	1.0
59.01347	0.2
67.01906	0.3
77.96463	0.2
83.05033	0.4
92.11806	0.2
97.06569	0.7
99.00866	0.3
113.09738	1.6
123.08115	0.3
125.09734	4.1
139.11278	2.2
139.33786	0.2
139.35028	0.2
141.12842	0.9
148.33160	0.2
149.09724	1.5
151.11386	0.2
165.12730	0.2
167.10677	0.3
167.14394	1.4
171.10249	3.6
185.11829	7.0
197.11813	1.5
205.08653	0.2
206.33226	0.2
211.13408	33.4
212.13730	0.2
249.22151	0.8
275.20108	0.4
293.21249	100.0
294.21573	2.1
311.22290	10.7
506.40405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10245	0.8
73.02936	5.1
89.18519	1.0
99.04686	1.0
107.05024	5.8
109.06594	21.2
124.04409	1.0
127.07640	72.9
137.23314	0.8
149.89014	0.8
171.06624	100.0
172.06953	1.1
232.74213	1.0
299.53116	0.9
316.98209	1.5
354.98053	4.8
385.82870	0.9
402.98453	3.7
641.27301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05220	0.9
51.28194	0.8
59.39846	0.8
61.98832	1.2
71.01379	0.9
73.99942	0.9
75.29979	0.8
91.17065	1.0
92.11671	2.3
99.21844	0.9
104.02771	0.9
110.20808	1.0
117.03464	10.7
119.05025	52.4
120.58054	1.1
121.02936	4.4
128.03532	2.1
132.78442	1.0
133.02980	2.1
134.03740	100.0
135.04553	26.1
143.04596	1.4
145.02963	27.9
146.03207	1.0
147.04527	4.2
148.05299	6.6
149.06093	58.7
150.03230	1.3
150.06512	1.2
151.00511	1.2
160.01685	2.2
161.02382	1.7
162.05641	1.8
163.04012	38.1
164.04425	2.1
166.02733	6.2
175.02666	1.2
175.04008	7.5
181.05069	2.3
188.03574	1.4
190.05106	1.9
191.07149	5.0
195.06625	1.5
204.06631	2.0
206.05807	1.4
222.05319	2.5
223.07674	2.3
233.06079	1.7
237.05695	2.4
239.07176	5.6
247.10835	1.5
249.05650	2.5
249.12590	1.0
250.06358	2.4
251.07191	7.8
263.07138	2.5
265.04962	1.3
266.05737	1.6
267.06650	32.2
268.07251	2.2
273.08765	1.5
274.09714	7.4
278.05951	1.2
279.06677	21.3
280.07291	3.6
282.09039	26.9
283.09598	5.1
289.12030	16.8
293.08237	1.7
294.08960	11.6
297.07690	12.8
297.11322	26.2
309.11356	5.8
312.10150	8.5
326.18045	1.1
327.12476	13.9
381.14261	1.2
384.30737	1.1
391.13272	5.3
393.14688	3.9
396.16629	1.2
406.16571	4.0
407.12097	7.4
419.12396	9.5
422.15048	3.5
434.14740	9.2
437.17355	9.2
449.17236	47.1
450.17563	1.5
459.18826	1.6
528.09875	1.1
557.19366	1.6
569.19324	5.7
572.21075	1.7
581.20203	42.3
582.20496	4.9
584.21503	5.3
587.24139	51.1
588.24268	4.1
599.24084	65.6
600.24658	4.9
617.25043	12.9
618.30701	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01729	0.2
54.47399	0.2
54.83032	0.2
57.03448	0.6
57.29334	0.3
58.00591	1.1
59.01112	0.4
59.01384	8.8
61.98832	2.9
64.34995	0.3
69.03455	1.5
71.01388	3.2
71.05016	0.3
72.02150	0.4
72.99300	0.4
73.02940	1.6
83.05021	0.5
85.02943	0.7
89.02432	3.2
90.88319	0.2
92.12280	0.4
95.05009	1.5
96.95982	0.3
97.06580	11.2
97.14874	0.3
99.08147	5.0
109.06600	2.6
111.04555	0.3
111.08153	17.2
113.02398	0.4
113.06086	8.5
113.09714	8.9
115.07619	1.0
119.05004	0.3
121.02945	0.7
125.06062	1.5
127.07637	11.9
127.11260	0.4
129.09203	8.8
131.03549	0.3
134.03656	0.5
137.06042	2.3
139.11302	0.7
141.09204	0.4
143.04652	0.4
143.07100	2.2
144.04518	0.5
146.06143	1.5
149.04440	0.3
153.05588	0.6
155.07137	7.0
157.12189	0.3
160.04027	1.6
162.05629	3.7
163.06006	0.3
172.03981	0.3
175.14908	5.6
177.74147	0.3
188.03519	1.9
193.16008	2.8
197.04543	1.7
206.04630	1.8
209.15422	1.0
211.17023	1.3
229.18080	1.2
255.15942	0.6
273.17090	100.0
274.17462	3.6
343.17642	2.4
343.21402	0.4
457.13065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22846	0.2
57.24454	0.2
64.45135	0.2
74.10157	0.2
74.62318	0.2
79.01317	0.2
92.11691	0.4
92.92781	0.3
94.92500	1.0
95.58379	0.2
95.86169	0.2
118.54269	0.2
122.15446	0.2
127.11263	0.9
136.89188	1.1
139.11293	0.2
141.12862	0.9
153.12846	0.7
155.10770	4.7
171.10258	7.9
172.28842	0.2
175.68352	0.2
180.82370	0.2
242.22185	0.2
243.55309	0.2
261.22223	0.8
279.23303	14.8
280.23526	0.4
295.22763	1.3
297.24362	100.0
298.24673	4.5
311.09824	0.2
319.22311	0.3
327.70099	0.2
522.69666	0.2
524.10327	0.2
617.47662	53.8
618.48010	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	618.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69888	0.3
58.02985	8.9
61.67090	0.3
66.03493	0.6
68.95520	0.3
70.02972	0.9
71.01353	0.5
72.00900	1.6
74.02077	0.6
74.02467	15.2
81.04556	0.9
82.02974	1.8
84.04523	0.7
85.04087	0.4
86.02469	7.7
86.06102	0.8
86.99084	2.1
87.05628	6.0
88.50733	0.4
90.00176	1.9
97.04073	2.5
99.05630	17.7
101.07194	3.6
102.05605	2.2
107.06120	0.8
109.04055	2.4
109.07719	0.4
111.05634	0.8
112.04041	1.5
113.03581	0.5
113.07234	0.4
116.01736	1.5
119.05014	0.9
123.05619	1.5
124.04013	1.3
125.03551	1.9
125.35386	0.4
126.01902	0.4
127.05108	2.9
128.03525	43.9
129.03867	0.4
131.04590	0.6
135.05611	3.7
137.07198	0.8
141.06696	4.6
143.04617	64.5
144.05009	0.7
145.06142	3.1
146.04588	4.7
153.06699	4.3
160.00722	14.6
163.03914	0.4
166.09837	2.8
167.04613	4.0
167.08221	2.9
170.03366	0.4
171.07759	0.6
177.03366	4.6
179.04633	11.7
181.06125	1.8
184.10829	0.6
185.05672	2.4
189.03056	0.4
192.07726	1.6
197.05698	2.3
198.08792	0.5
210.08856	12.4
242.07826	0.9
254.07787	9.9
272.08902	18.0
288.06622	5.3
306.07678	100.0
307.08231	2.7
308.07407	2.4
370.44888	0.4
541.04852	0.4
583.56317	0.6
618.30646	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	618.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90380	0.5
53.45052	0.4
58.02737	0.6
58.02981	7.5
62.43160	0.4
62.57966	0.4
70.02956	0.6
72.00903	1.1
72.21474	0.5
74.02464	17.5
81.04581	0.5
82.02969	2.2
84.04526	1.0
85.04089	0.7
86.02467	8.3
86.06104	0.9
86.99097	1.0
87.05618	4.5
90.00177	0.9
97.04054	1.9
99.05629	16.8
101.07211	2.8
102.05598	2.5
102.15771	0.6
107.06159	0.9
109.04059	3.5
111.05628	1.0
112.04043	2.6
116.01736	1.2
116.15237	0.5
119.05008	0.5
123.05622	1.2
124.04031	0.6
125.03564	0.9
125.80590	0.6
126.02043	0.5
127.05087	2.9
128.03520	46.2
133.09897	0.6
135.05656	5.1
141.06697	4.8
143.04620	58.6
145.06187	2.2
146.04623	4.4
146.06126	1.1
153.06682	4.8
155.08246	0.5
160.00722	15.1
162.05623	0.8
166.09808	3.3
167.04622	5.7
167.08267	3.1
177.01927	0.6
177.03357	5.8
179.04622	12.9
181.06192	3.0
184.10872	0.8
185.05626	0.9
197.05708	0.8
198.08972	0.7
210.08852	11.5
228.09903	0.7
242.07912	0.6
254.07851	9.3
272.06702	0.5
272.08881	16.9
288.06525	6.0
306.07678	100.0
307.08035	2.0
308.07568	0.7
384.75806	0.6
618.30566	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	618.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02711	0.4
58.02987	9.2
61.28728	0.2
66.03501	0.8
67.02978	0.2
68.05048	0.5
69.79105	0.3
70.02976	1.3
71.01364	0.4
71.57555	0.2
72.00899	0.9
74.02473	16.1
81.04572	1.3
82.02987	2.7
84.04523	1.0
85.04068	0.4
86.02474	7.9
86.06116	1.8
86.99103	2.0
87.05631	5.7
88.04045	0.5
90.00173	1.7
92.11740	0.4
95.02520	0.3
96.04533	0.2
97.04052	2.3
98.02412	0.2
99.05630	17.9
100.00385	0.3
101.07197	3.2
102.05599	2.6
107.06145	1.3
109.04081	3.3
109.07700	1.2
111.03265	0.4
111.05634	1.5
112.04034	2.5
112.07003	0.3
113.03571	1.0
113.07182	0.4
113.82585	0.3
116.01734	1.4
120.01255	0.3
123.05659	1.8
124.04011	1.5
125.03564	1.7
126.01951	0.5
126.04367	0.3
127.05118	3.4
128.03528	47.5
129.03922	0.4
129.99686	0.4
130.95718	0.2
131.04622	1.4
135.05635	4.9
137.07222	1.4
139.05171	0.3
139.08759	0.3
141.06691	5.0
143.04620	66.8
144.01256	0.4
144.04987	0.4
145.06116	2.6
146.04605	5.3
149.07231	1.2
153.06721	5.0
155.08281	0.9
160.00737	15.3
166.09857	2.2
167.04622	4.8
167.08223	2.5
170.03285	0.5
171.04111	0.4
171.07669	0.5
177.03413	5.4
179.04619	11.4
181.06187	1.9
184.10953	1.0
185.05643	2.1
192.07805	1.3
197.05687	1.4
198.08806	0.5
210.08867	13.2
211.09467	0.3
228.09924	0.5
242.07829	1.3
254.07828	12.4
272.08896	19.6
273.09241	0.4
288.06561	6.3
293.21252	1.7
306.07681	100.0
307.07846	1.6
311.22260	1.1
456.54291	0.3
618.30829	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	618.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	16.9
59.01368	1.0
63.96664	0.5
66.03495	0.9
68.81556	0.6
70.02969	0.9
71.01363	0.9
73.01176	4.6
73.03038	0.6
74.02074	1.2
74.02470	24.4
81.04571	1.5
82.03002	4.4
84.00919	0.6
84.04520	0.9
86.02476	14.2
86.06123	2.4
87.05637	7.1
88.04085	0.6
95.02510	1.0
97.04070	1.4
99.05640	32.0
100.00390	1.0
101.07214	5.1
102.05624	6.0
107.06121	1.4
109.04082	4.8
109.07674	0.9
111.05612	2.7
112.04026	3.0
113.03579	0.9
113.07177	0.7
119.04984	1.1
123.05617	3.2
124.04031	1.4
125.03561	5.2
127.05171	3.0
128.03529	70.8
134.03777	0.8
135.05612	8.4
137.07144	1.3
141.06699	4.2
143.04626	100.0
144.06079	1.0
145.06184	4.5
146.04582	9.5
146.05756	0.7
146.06142	0.8
149.07176	1.0
153.06673	5.5
162.05659	1.4
166.09819	4.7
167.04622	4.3
167.08276	6.9
170.03314	0.9
171.10257	6.7
175.04054	0.6
179.04633	18.9
181.06180	3.3
184.10945	1.2
185.05766	1.2
191.98506	0.7
192.07785	1.4
193.12337	2.7
197.05702	1.3
210.08855	21.1
211.13333	1.3
227.11075	4.4
245.12141	2.7
254.07835	34.7
272.08905	78.6
283.09338	0.7
293.21173	2.9
311.22015	0.7
345.21082	3.5
373.35892	0.7
445.28027	0.7
489.26535	6.2
600.29852	9.0
618.30737	86.6
619.31378	1.3
641.12506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72024	0.4
54.82305	0.3
59.01381	0.4
59.44934	0.4
61.98824	0.7
66.55404	0.4
67.94093	0.4
83.76941	0.4
84.74704	0.4
89.03961	3.0
106.04242	0.4
108.02203	0.5
109.02913	0.7
117.03455	8.0
119.05001	2.4
121.02943	1.8
132.02132	5.2
133.02940	5.3
134.03725	100.0
135.04462	2.8
136.01642	0.9
137.02376	3.3
139.04012	0.7
145.40158	0.5
147.04521	3.5
149.06078	11.0
151.04050	1.0
152.99567	0.4
153.05516	0.6
159.04530	0.8
160.01648	21.9
160.05284	2.6
161.02417	0.5
161.06090	0.5
166.73857	0.5
172.05342	0.5
173.06056	0.9
175.03992	12.5
177.01894	0.5
178.02711	6.8
179.03468	2.7
185.06068	0.7
186.06854	2.2
193.05054	57.6
230.05811	4.9
234.05360	0.9
242.08319	0.5
245.08223	2.2
249.07669	1.8
253.04558	0.5
381.13358	4.5
425.12430	32.8
619.18188	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	619.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56426	0.1
55.24562	0.2
59.01382	0.2
64.69126	0.2
64.94808	0.2
66.61756	0.1
78.95911	0.2
116.92852	0.2
124.66866	0.2
126.53202	0.2
130.70145	0.2
131.10413	0.2
158.98384	0.2
217.22968	0.2
247.20715	0.4
265.21719	100.0
266.22052	3.9
277.21805	0.4
333.09290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68475	0.2
67.53743	0.2
75.52283	0.2
83.41161	0.2
84.62808	0.2
103.46718	0.2
107.95679	0.2
174.22391	0.2
309.28012	100.0
310.28323	3.5
342.82428	0.2
347.65964	0.2
437.34897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54810	0.9
56.16808	0.9
59.01359	2.1
59.09369	1.0
59.40768	1.0
61.98808	2.5
66.66493	1.0
67.01849	6.4
68.87842	1.1
71.01344	7.1
85.02888	4.7
93.03408	1.6
101.02379	2.5
108.02176	51.9
109.02975	11.0
111.11456	0.9
113.02366	1.5
119.04939	7.1
121.02934	1.8
123.00800	1.4
131.03635	6.2
134.03645	1.6
135.04488	1.4
137.02312	6.1
139.00278	6.0
144.04556	12.7
145.02908	1.7
146.06123	42.7
149.01123	2.3
149.02312	6.4
150.02745	1.9
152.01158	100.0
153.01772	5.0
160.04005	2.5
162.05463	7.4
163.03894	6.4
164.04692	2.7
165.05121	1.9
172.03986	1.4
175.00237	4.3
175.03928	1.5
179.03336	1.4
179.07098	1.6
188.03351	2.3
190.02713	19.9
190.05113	11.4
191.03078	9.1
205.05080	14.7
206.05171	5.5
215.27159	1.3
223.05943	6.6
315.07187	1.4
347.98083	1.1
429.10397	19.4
430.30566	1.5
447.10928	2.5
502.13272	1.2
619.22382	8.0
620.15430	75.2
621.15704	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00325	0.3
57.03439	1.5
58.00589	0.4
59.01374	0.7
61.98801	0.4
73.02917	0.6
87.98887	0.4
93.38610	0.4
97.06522	0.5
113.09698	0.8
121.10251	0.3
123.08171	0.8
125.09708	4.3
127.11245	1.9
134.92792	0.4
137.09698	0.7
139.11246	2.7
141.09224	1.8
141.12852	0.4
151.11363	0.7
153.09206	1.9
155.10751	1.7
171.10252	11.0
183.10292	1.6
183.13863	0.9
185.11855	6.0
199.09811	4.4
200.10550	5.1
201.11308	6.1
211.13307	0.4
213.11389	0.7
215.12874	0.4
215.67940	0.4
216.72592	0.4
218.26128	0.4
218.46040	0.3
247.20715	3.6
263.20117	1.6
265.21643	0.7
273.18448	0.8
281.21133	0.6
291.19696	10.0
293.21204	2.8
303.85434	0.4
309.20737	100.0
310.21039	4.6
311.22281	20.2
312.22363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
67.66815	0.5
84.02139	0.6
97.06544	0.5
113.09647	0.6
125.09705	4.4
127.11231	0.6
137.09720	1.1
139.11264	4.9
141.12852	1.2
143.10751	0.8
145.57733	0.6
155.10779	2.9
157.12407	0.8
167.10805	5.2
169.12384	0.7
171.10249	3.5
183.10226	1.0
185.11818	2.5
201.11432	2.9
209.11763	2.9
253.21761	12.9
293.21204	13.1
307.19125	3.4
311.22318	100.0
312.22168	0.6
325.20316	0.6
327.21921	7.2
393.38190	0.7
603.42804	2.5
621.43994	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	622.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	0.5
61.98829	1.3
67.90459	0.6
72.00912	3.2
72.97530	1.0
74.00700	0.8
74.02467	0.6
82.02986	0.9
84.04566	0.5
86.99094	2.8
96.95982	0.9
99.05649	2.9
100.04040	2.6
101.07198	1.1
102.05603	1.2
102.50755	0.6
110.62788	0.6
116.01735	1.2
119.39211	0.6
125.03551	3.3
126.04385	0.9
127.05140	2.6
128.03529	13.7
131.02812	2.5
137.07185	0.7
140.03310	0.7
142.04889	0.7
143.04672	1.1
150.01732	9.8
152.03369	0.7
166.04855	1.4
167.04443	6.8
168.01538	2.2
168.02786	3.4
175.04964	4.0
179.04570	0.9
181.05975	16.5
193.05972	5.1
205.06099	0.7
205.08463	0.8
207.03862	2.7
207.07645	1.0
219.03926	3.8
221.05496	22.0
223.07071	2.3
225.03297	8.0
232.07071	2.7
233.05547	0.7
236.06514	4.3
238.06396	16.0
238.08432	1.0
249.22301	1.1
250.08194	8.6
276.06192	7.1
293.21216	1.2
294.07150	20.9
315.19562	2.2
317.20923	5.8
326.04184	3.4
328.05811	1.4
349.18170	15.0
493.23669	2.1
496.13885	0.8
520.25775	0.6
547.23883	0.6
604.26385	3.9
622.27832	100.0
623.28259	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	623.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38107	0.2
59.01108	0.3
59.01390	7.7
61.98841	2.0
67.72388	0.2
71.01388	3.5
72.99292	0.4
73.02950	1.6
75.00882	0.2
81.03465	0.2
83.01382	1.6
85.02939	1.6
87.00884	2.6
89.02458	2.4
93.03448	0.5
95.01402	0.3
96.95994	0.3
101.02444	3.6
105.03445	0.3
113.02471	2.6
117.03446	1.0
118.16902	0.2
119.03486	0.5
121.02958	0.3
123.04575	0.3
132.02142	1.9
133.02959	31.1
135.04530	3.1
137.02464	1.1
144.65146	0.2
148.14613	0.2
158.97478	0.2
161.02452	100.0
162.02783	0.9
163.04114	0.2
165.76688	0.2
167.03447	0.3
168.00648	0.3
179.03505	2.0
179.05626	0.4
189.05606	0.4
205.04942	0.2
222.19705	0.3
267.07214	0.3
323.07846	1.3
341.10953	1.7
383.12125	0.4
385.11331	0.4
461.10922	0.9
530.31201	0.2
545.15100	0.5
587.16278	27.5
588.16797	0.3
623.13977	0.3
626.89227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45657	0.6
59.01369	2.7
61.98833	1.2
62.92677	0.7
63.02381	0.7
65.00322	0.6
70.91727	0.7
85.02934	0.9
87.43660	0.7
92.12508	0.6
96.95985	1.1
107.01376	1.0
108.02157	1.6
113.02467	1.0
119.05002	0.8
133.02911	0.8
135.04472	1.0
143.04950	0.8
148.01639	0.7
151.00348	5.9
156.26828	0.7
160.04025	3.0
161.02463	1.0
162.01936	0.8
162.05577	7.5
163.00349	1.0
175.03960	0.9
183.04472	1.5
187.04034	1.0
188.03548	4.7
199.04036	6.6
206.04549	3.6
211.04094	0.9
215.03569	3.4
216.04250	1.0
226.02635	0.8
227.03520	8.5
242.02219	3.9
243.02979	39.2
244.03740	2.7
254.02081	1.0
255.02979	27.0
256.03635	1.0
257.04547	3.9
270.01657	4.9
271.02469	64.9
272.03073	6.9
285.03998	7.9
286.04895	1.6
287.05560	3.1
299.01956	61.0
300.02750	51.4
300.05597	1.0
301.02988	1.4
314.04346	44.6
315.05118	100.0
316.05289	3.7
357.06058	0.9
544.87677	0.9
623.16193	87.3
624.16351	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	623.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31008	0.2
55.01884	0.5
57.03454	0.4
59.01387	2.0
61.98834	6.3
69.03442	0.4
70.69642	0.2
71.01390	3.5
72.99304	0.5
73.02934	1.3
85.02950	3.5
89.02425	1.1
89.03959	0.4
95.01365	1.3
95.70823	0.2
96.95975	0.3
97.02953	0.4
99.00854	1.7
101.02447	1.7
108.02174	54.9
109.02958	13.8
113.02451	1.7
116.92865	0.2
117.03471	3.5
119.05011	0.4
121.02934	1.2
122.03766	0.3
123.00866	0.5
123.04536	0.4
125.02466	0.9
132.02176	0.4
133.02969	1.2
134.03738	26.3
135.00891	0.3
135.04532	7.4
137.02484	0.3
144.04572	0.5
145.02982	0.5
147.04478	0.4
149.02443	0.3
149.06099	1.5
149.99634	0.2
151.04037	1.8
152.01157	100.0
153.01950	3.8
160.01649	2.9
160.04068	1.3
161.02448	3.7
161.04530	1.6
162.05608	2.9
163.04012	3.9
164.04666	0.2
167.03476	0.6
175.04037	2.4
176.04770	0.9
177.01956	1.1
177.05490	0.2
178.02762	0.3
179.03488	4.3
188.03540	1.7
191.07083	1.7
193.05070	7.7
206.04626	1.5
207.03082	1.0
217.05110	0.3
221.39290	0.2
237.07681	0.3
271.08386	0.3
297.06323	0.2
315.07269	1.0
350.08765	0.4
375.14612	1.1
429.10416	8.0
430.11002	0.5
447.11508	19.1
448.11362	0.3
486.15350	0.3
622.02203	0.3
623.16278	52.6
624.16614	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	623.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
58.00593	0.2
58.18224	0.2
59.01391	0.2
83.05014	0.8
92.12329	0.4
97.06573	0.3
121.10226	1.9
123.08160	0.7
123.71619	0.2
125.09714	3.6
127.11283	6.4
137.09711	1.0
139.11281	13.4
141.12863	0.3
142.01851	0.2
142.32877	0.2
143.67310	0.2
149.09720	0.3
153.09189	1.1
155.10733	2.0
157.08653	0.3
165.09216	1.2
168.02242	0.2
171.10263	76.8
172.10606	0.5
183.10237	2.1
185.11823	6.3
197.11871	0.4
199.09703	0.3
201.11339	14.2
211.13472	0.8
231.21198	0.3
237.26434	0.2
249.22237	0.2
275.20154	6.0
293.21249	10.2
311.22305	100.0
312.22690	1.8
403.63397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07705	0.2
55.69847	0.2
56.00473	0.2
57.03446	0.9
58.29168	0.2
64.94151	0.2
65.07388	0.2
80.34233	0.2
83.05019	0.2
86.48367	0.2
92.12380	0.4
99.08155	1.6
102.08504	0.2
103.30077	0.2
111.08177	0.9
125.09716	1.3
127.11275	1.4
131.02385	0.2
137.09715	0.4
139.11313	4.2
141.12883	1.4
141.84317	0.2
143.10826	1.0
153.12927	0.3
155.10759	2.1
167.10788	5.3
167.14549	0.3
171.10266	3.4
181.12372	0.3
183.10248	0.9
183.13911	1.6
185.11844	1.1
193.12349	0.5
199.13428	0.2
201.11351	0.9
209.11934	0.3
211.13420	7.7
213.11337	0.4
214.12158	1.0
229.14490	4.2
249.22264	0.4
265.21750	1.4
267.23441	1.5
275.20255	0.3
293.21277	9.7
311.22324	100.0
312.22638	1.0
329.23355	12.2
386.46298	0.3
590.12927	0.2
605.44415	2.7
623.45404	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	623.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03395	0.2
55.37532	0.2
57.03454	1.7
59.01369	0.3
61.98827	0.4
73.50828	0.2
85.06563	0.2
97.06563	1.1
113.09727	5.2
123.08134	0.3
125.09726	3.1
126.87994	0.2
139.11290	7.7
141.12856	0.5
149.09718	0.6
167.10727	0.9
167.14444	0.5
171.10255	11.7
185.11829	4.9
186.89172	0.3
195.13931	0.5
197.11795	1.0
199.12859	0.3
211.13416	25.3
212.55733	0.2
223.13383	1.4
249.22214	1.3
269.06418	0.3
293.21243	100.0
294.21591	1.0
311.22302	13.0
311.25897	0.5
387.28577	0.3
460.17264	0.3
491.26007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79651	0.2
57.03447	0.7
59.01374	1.7
80.95074	0.3
83.05026	0.4
83.55699	0.3
85.66364	0.3
99.08143	1.9
111.08137	0.4
113.09714	0.5
116.92848	0.7
121.51771	0.4
125.09693	2.0
127.11282	2.1
129.09198	1.3
137.09731	0.5
139.11281	4.1
141.12822	1.2
143.10779	1.3
152.23232	0.4
153.12892	0.3
153.68146	0.3
155.10770	3.6
157.12331	0.4
165.12744	0.6
167.10751	5.7
169.12340	2.0
171.10260	7.5
173.57013	0.3
181.12292	0.6
183.10236	1.3
183.13889	0.6
185.11748	2.3
193.12370	0.4
197.11864	1.4
199.13388	4.2
201.11334	4.0
209.11800	4.0
211.13368	3.5
213.11325	1.2
214.12007	1.4
225.22368	0.5
227.12930	0.6
229.14526	0.4
239.23756	0.4
249.22266	1.3
265.21722	1.5
267.18875	0.3
267.23315	0.7
271.22607	0.3
275.20178	0.7
277.21826	1.0
283.22745	0.3
293.21243	11.4
294.21481	0.3
295.22842	1.4
309.20789	0.7
311.22290	100.0
312.22620	2.8
327.21817	1.7
328.27313	0.3
329.23358	21.3
393.04742	0.4
605.44189	4.2
623.45282	16.7
624.44934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99710	0.1
116.92841	0.2
117.92801	0.1
178.52977	0.1
200.56697	0.1
204.44415	0.1
240.71333	0.1
267.23300	100.0
268.23645	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	624.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07338	0.1
54.22659	0.1
58.02713	0.1
58.02984	3.4
59.77214	0.1
73.36447	0.1
80.42880	0.1
117.70129	0.1
140.11934	0.1
148.16693	0.1
154.35086	0.1
168.13931	8.5
169.14253	0.1
211.13428	0.1
212.12985	0.4
293.21277	0.5
294.21652	0.4
304.19217	4.0
319.22818	100.0
320.23157	2.6
337.23645	0.1
504.95071	0.1
541.13043	0.1
617.95203	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	625.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58984	1.4
53.03014	1.9
53.21194	1.4
54.82290	2.0
59.23821	1.5
60.64051	1.6
66.26453	2.0
68.99816	15.7
82.53937	1.8
84.61885	1.8
95.01389	2.8
106.64009	1.9
109.02951	9.1
121.02967	3.5
123.00884	18.7
123.85019	1.9
125.02434	13.8
135.54019	1.9
136.01659	14.8
137.02425	10.9
138.03210	45.2
139.04016	3.7
147.00925	3.2
147.04536	6.8
149.02452	8.6
151.04013	15.7
153.01949	4.0
153.05571	38.1
160.01584	3.7
160.52565	2.0
162.03246	1.8
163.00290	2.8
164.04828	2.8
165.01872	17.8
168.04280	20.5
175.00351	21.7
175.04007	26.5
176.01157	17.5
177.01909	14.4
178.02716	11.4
190.06354	23.9
191.03539	19.1
192.04294	27.0
193.01431	38.7
193.05074	9.9
205.08702	14.5
207.06631	37.0
208.01811	2.5
208.03790	73.4
223.06142	100.0
282.05396	20.5
297.07684	26.9
299.09225	4.0
312.10083	32.2
327.08737	29.2
327.12421	22.9
341.90948	2.0
342.10974	16.3
357.13501	20.3
401.12473	42.4
425.40854	2.5
516.02832	2.0
625.19299	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09026	0.7
59.01398	0.9
61.98837	1.3
68.99819	13.7
78.95921	1.4
85.01023	0.7
88.66353	0.9
93.03522	1.0
95.01399	5.2
101.29342	0.8
105.03452	1.5
108.02206	2.0
109.02965	5.8
115.69699	0.8
119.52151	0.9
121.02961	1.7
123.00896	16.0
123.04577	0.9
124.01665	1.1
125.02426	15.5
134.03806	1.0
136.01663	10.0
137.02446	7.8
137.59073	0.9
138.03232	33.8
138.04263	1.8
139.04016	4.4
145.03000	1.2
147.00940	1.9
147.04510	3.6
149.02448	7.3
151.04002	13.8
152.99608	0.9
153.01956	5.6
153.05571	36.0
155.99089	0.8
158.02357	1.0
160.01654	1.4
160.05215	1.0
162.03244	1.9
163.00377	4.5
163.03996	3.2
164.04852	3.7
165.01917	20.5
168.04279	14.0
173.02489	1.5
174.03166	1.5
175.00349	15.5
175.03999	19.5
176.01169	13.7
177.01952	11.7
177.05565	2.0
178.02689	9.4
179.03528	1.0
180.04305	6.6
180.12245	0.9
181.05104	1.5
190.02707	1.4
190.06380	17.3
191.03493	15.5
192.04277	24.4
193.01428	42.0
193.05061	6.6
194.01768	1.1
195.06683	3.7
205.08766	8.0
207.03188	1.2
207.06619	24.0
208.03789	60.3
209.04489	1.6
223.06149	100.0
224.06532	1.3
225.07756	4.9
253.05035	1.3
279.06506	1.3
282.05353	17.2
297.07739	24.0
299.09320	5.9
312.10037	24.2
327.08759	16.8
327.12488	19.1
342.11108	10.9
357.13547	22.5
401.12457	36.5
413.12585	1.4
625.19141	37.4
626.19696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84899	0.3
59.80412	0.4
63.01189	0.3
66.67999	0.3
76.53622	0.4
77.58440	0.3
86.94962	0.4
116.20359	0.4
117.62631	0.3
127.53409	0.4
139.11333	2.5
141.12863	1.4
143.10776	1.3
155.10788	1.9
159.09024	0.4
167.10735	3.5
171.10266	2.4
185.11777	0.6
191.04790	0.4
196.59694	0.3
209.28015	0.3
214.12067	1.2
249.22284	0.4
265.21829	0.5
266.32758	0.4
267.23242	0.7
273.83151	0.4
275.20355	0.4
277.21671	2.3
279.23483	0.6
293.21243	8.7
295.22849	4.8
309.20728	0.8
311.22321	100.0
312.22626	4.4
571.43695	2.4
574.71887	0.4
589.44891	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	625.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08675	2.5
53.38829	1.9
54.07111	2.1
56.04659	2.4
56.27171	2.3
87.69642	2.7
100.96353	2.9
123.08057	2.9
125.27293	2.8
171.10222	18.9
180.19606	2.4
215.48198	2.6
244.96533	2.6
277.21725	34.9
279.23239	26.5
293.21243	69.7
295.22803	79.1
296.23331	3.2
309.20776	15.5
311.22275	83.7
316.35364	3.0
331.73254	3.3
337.66397	3.2
359.34396	3.0
413.28940	3.1
571.43713	12.8
589.35596	4.7
589.44824	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	625.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67059	0.2
54.81156	0.2
55.14038	0.2
57.03443	0.5
58.00587	1.6
59.01384	0.3
73.02936	0.5
83.05031	0.3
92.11791	0.3
97.06573	0.3
99.08128	0.5
120.49319	0.2
123.08142	0.3
125.09699	4.2
127.11279	7.1
129.09222	0.6
137.09702	1.5
139.11243	1.8
141.12846	0.4
155.10783	2.3
157.12329	0.9
165.09204	2.2
169.12300	0.5
171.10268	7.5
181.12381	1.3
181.18495	0.3
183.10258	1.1
185.11841	0.3
197.11868	1.4
199.09793	1.9
199.13319	0.5
201.11336	45.0
202.11668	1.4
211.13446	3.8
212.13705	0.4
223.20593	0.4
248.10283	0.3
277.21790	5.5
278.22293	0.4
293.21225	2.3
295.22803	4.4
311.16809	0.6
311.22296	18.3
312.22559	1.9
313.23886	100.0
314.24231	6.0
381.68564	0.3
585.47797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49516	0.2
52.47635	0.2
56.91678	0.2
57.03434	0.3
58.00592	3.5
59.01378	0.6
59.22234	0.2
59.91175	0.2
97.06554	1.0
99.08140	15.4
99.08793	0.5
101.09685	0.4
111.08158	0.3
113.09677	1.0
125.09657	0.4
127.07635	3.3
127.11275	0.3
129.08223	0.6
129.09198	18.9
136.89662	0.2
139.11238	1.3
146.42088	0.2
147.84384	0.3
153.24857	0.2
171.10231	3.8
172.10599	0.5
183.13884	37.2
184.14240	0.5
185.11763	0.5
195.13922	4.5
201.11354	0.5
207.74426	0.3
211.13261	0.4
277.21741	3.2
293.21188	4.6
294.21640	2.0
295.22784	9.3
296.23087	0.3
311.22293	11.5
312.22653	4.1
313.23849	100.0
314.24115	3.0
315.26630	0.3
318.36118	0.3
384.22412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54848	0.2
90.28365	0.3
90.42327	0.3
122.53288	0.4
134.89546	0.3
171.10342	0.5
197.19267	0.6
221.19063	0.4
223.20726	4.0
223.93254	0.3
225.22266	56.6
226.22675	1.5
253.21748	1.6
271.22806	100.0
272.23264	2.2
311.22318	1.1
312.22650	1.4
313.22971	0.6
598.65942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63240	0.9
59.01391	9.5
61.98817	5.8
71.01360	5.3
72.06421	1.2
73.02951	1.5
85.02931	8.1
87.00858	1.6
89.02454	1.8
93.03460	1.8
99.00864	1.7
101.02425	6.8
106.04190	2.5
107.05029	18.9
108.02155	2.6
109.02962	1.3
113.02441	11.2
121.02921	2.8
122.02376	1.3
123.04494	18.4
131.05009	11.6
132.04582	4.9
133.02924	24.1
137.02420	1.3
144.04532	1.6
146.06134	2.5
147.04485	2.0
149.02431	1.8
149.06067	2.8
151.03996	64.5
160.01689	1.9
160.04062	2.8
161.02380	2.4
161.04498	1.8
162.05603	6.5
164.04643	1.2
165.05540	1.9
167.03496	5.8
173.06064	1.6
175.04015	16.2
187.04010	3.1
188.03607	2.7
193.05168	12.7
205.05161	3.0
206.04581	2.1
217.05081	5.6
223.06094	2.7
235.06168	6.9
259.06180	1.4
295.08228	32.7
312.40881	1.4
337.09326	8.9
429.11932	5.2
447.12994	33.7
471.12875	16.1
472.13177	1.3
489.13901	5.0
513.13831	2.9
531.15161	7.4
591.17200	100.0
592.17462	7.4
626.29193	1.5
627.14984	8.5
627.31879	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	627.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03442	0.3
59.01385	1.9
68.86584	0.3
69.03445	0.5
71.01394	2.5
72.99300	1.0
73.02931	0.6
75.99087	0.3
80.25802	0.2
83.01379	0.6
84.15971	0.3
85.02943	2.5
89.00331	0.6
89.02454	0.5
89.44168	0.3
91.01879	0.5
92.12313	0.5
93.03438	0.5
93.75436	0.3
95.01372	0.5
99.00887	1.3
101.02421	1.7
106.00603	0.6
107.01383	4.8
108.02170	58.4
109.02967	11.8
111.00858	0.5
113.02438	2.2
114.98373	0.3
121.02943	22.5
123.00887	1.4
123.04552	0.3
124.01695	1.9
125.02458	0.6
127.00365	0.4
133.02946	0.6
134.03766	0.4
135.00891	0.4
135.04526	1.2
136.98805	0.4
137.02431	1.7
138.03204	1.5
139.00401	0.5
139.04005	5.7
149.02406	0.3
152.01151	100.0
153.01947	4.1
153.05565	13.8
160.04034	0.4
162.05627	0.5
163.04015	3.9
167.03496	1.6
168.00615	3.8
169.01262	0.3
177.01895	0.4
179.03487	1.1
182.02223	1.3
183.02975	18.5
183.04611	0.6
193.05104	0.3
197.02740	0.5
197.04558	14.0
206.04465	0.3
207.02974	1.1
225.39461	0.2
239.22324	0.3
271.02637	0.3
297.06207	0.4
307.14127	0.6
315.07126	0.6
324.44205	0.3
370.73221	0.3
429.10406	14.0
447.11502	4.5
627.15753	58.0
628.15887	1.8
645.07965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02317	0.6
59.01109	1.4
59.01395	30.1
61.98842	13.4
64.37057	0.6
65.03982	1.5
67.01906	0.8
71.01363	0.8
73.62728	0.6
84.52051	0.6
85.02952	0.8
91.01894	27.3
92.92771	1.0
95.52032	0.7
96.96008	1.2
98.00973	0.7
108.02166	1.3
109.02955	31.7
116.94478	0.6
119.05026	0.9
121.02952	1.3
133.02960	1.6
135.00882	100.0
137.02443	2.9
144.04555	0.9
149.01257	0.8
149.02422	0.9
153.01938	81.8
161.02460	4.8
163.04039	0.7
175.04024	3.2
177.01945	3.7
197.06012	0.8
220.12752	0.8
236.80141	0.7
243.06606	10.3
248.61896	0.8
297.06161	37.8
405.11951	51.6
406.12338	0.9
591.19427	1.3
651.40503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32970	0.3
51.56118	0.3
54.55088	0.3
54.82476	0.4
61.98821	0.4
62.60881	0.3
72.48731	0.3
82.88937	0.3
92.11789	0.4
99.08141	0.6
121.10268	0.3
125.06809	0.3
139.11281	1.6
143.22430	0.3
171.10269	4.1
182.94641	0.4
193.12318	1.4
211.13370	4.3
229.14491	1.6
269.24860	100.0
271.23184	0.4
279.23294	21.3
280.23502	0.5
293.21265	6.6
311.22302	18.5
312.22739	0.6
329.23373	4.8
409.04999	0.3
591.46326	18.0
592.46301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
57.80011	0.5
59.01379	2.9
60.13026	0.4
61.98811	0.6
63.02401	6.8
65.00328	10.0
69.85027	0.5
71.01375	0.5
77.83115	0.4
78.95868	0.5
80.02650	0.6
81.03471	0.4
83.01390	7.8
83.04996	0.5
85.02936	3.0
97.06574	3.1
99.08146	1.0
107.01384	24.4
108.02165	10.6
119.05017	1.0
123.04504	5.2
124.01653	0.6
125.02486	0.6
125.09741	0.5
127.11326	0.5
128.03534	0.6
129.09184	1.1
134.03728	32.7
136.01640	6.2
137.09723	1.0
138.84601	0.5
141.09215	2.8
143.39397	0.5
149.06081	24.0
151.00374	55.0
153.09239	0.8
155.10832	0.6
164.01146	11.8
165.01964	3.0
169.01450	4.5
171.10287	9.3
174.03172	2.0
175.04039	0.6
177.01921	7.1
183.10257	1.9
183.13924	3.6
185.11813	0.7
192.76117	0.5
193.12358	0.9
196.00175	6.5
201.01974	0.8
201.11111	0.6
202.68721	0.5
209.11832	1.0
211.13414	13.6
211.15282	0.8
215.03654	0.9
221.11856	2.0
229.14473	9.2
239.12914	0.9
242.05922	0.5
271.10980	0.5
285.04196	0.6
286.04797	3.3
291.19635	2.4
301.07199	100.0
301.20212	25.3
302.07520	2.6
308.61667	0.5
309.20886	0.5
327.21802	67.4
328.22293	1.7
383.17691	0.5
632.08142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54031	0.3
53.49761	0.2
57.18615	0.2
59.01385	1.2
61.43107	0.2
61.98833	0.5
63.24990	0.2
65.03970	0.5
68.50729	0.3
71.01350	0.3
85.96230	0.3
89.02473	0.5
93.03453	84.0
94.03779	0.5
96.96028	1.1
134.36496	0.3
137.02438	100.0
138.02765	0.6
140.32199	0.3
162.05656	1.1
168.00577	0.4
206.04645	0.4
243.92140	0.3
251.11317	1.9
359.17026	0.5
455.97894	0.4
593.27631	1.3
629.26404	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	629.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74262	0.5
78.95895	5.0
82.44283	0.6
99.79053	0.5
104.52576	0.7
110.98531	4.4
152.99506	0.9
167.01064	0.9
171.91631	0.6
185.02182	3.0
268.41397	0.7
281.24884	100.0
282.25253	3.4
320.46814	0.7
449.20789	1.2
449.26819	26.3
450.27295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03972	2.7
77.45490	0.1
89.03973	1.3
93.03473	0.3
95.05027	6.8
105.03456	24.7
119.05045	0.6
121.02981	0.3
123.04520	2.3
132.02167	0.9
133.02954	100.0
134.03296	0.6
151.04036	0.3
177.01935	36.5
206.04559	0.1
206.30032	0.1
212.87161	0.1
227.09288	0.1
228.94385	0.1
250.86922	0.1
281.21545	0.2
347.44516	0.1
451.32846	0.2
585.27655	0.3
658.73389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71541	0.2
55.01882	0.5
55.20897	0.3
57.03440	0.5
58.00593	0.5
59.01386	29.7
65.66460	0.2
67.28043	0.2
71.00983	0.5
71.01382	13.3
72.99300	0.6
73.02937	0.6
83.01375	1.3
85.02952	3.8
85.06590	10.9
85.07114	0.4
87.00864	1.1
89.02441	15.8
92.11786	0.3
95.01389	1.2
96.95993	1.2
100.00418	0.5
101.02441	11.1
113.02451	6.5
113.06094	3.2
115.07615	1.9
119.03492	7.6
127.07632	1.6
131.07132	53.4
133.02943	0.3
143.03584	0.8
144.03036	0.3
148.06250	0.3
161.04440	0.3
162.05576	0.5
173.08197	1.5
179.05611	0.5
185.53905	0.3
209.64304	0.2
261.26059	0.3
293.12457	100.0
294.12869	2.0
601.67706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45867	0.1
53.68956	0.1
57.26115	0.2
58.79401	0.1
59.01375	0.9
63.21394	0.1
71.01368	0.2
82.30840	0.1
87.91176	0.1
117.08515	0.2
127.07672	0.2
142.36064	0.2
193.68170	0.2
228.57610	0.2
233.22870	0.3
259.20493	0.2
275.20251	0.3
277.21725	100.0
278.22113	1.3
451.40750	0.2
483.75992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26947	0.2
59.01387	1.9
61.98825	1.5
71.01377	1.1
72.99295	1.1
73.02942	0.4
78.95898	6.7
79.95731	1.7
83.80730	0.2
85.02937	0.3
89.02443	1.2
96.95999	100.0
96.96895	8.4
99.08137	0.3
101.02443	1.2
113.02492	0.3
116.92837	4.2
119.03472	0.4
129.46700	0.3
135.04552	0.5
144.04692	0.3
145.08720	0.5
146.06125	1.1
147.04483	0.2
149.01178	3.7
152.03564	0.4
160.04012	1.0
161.04742	0.5
162.05649	3.0
164.03514	1.8
165.01942	0.5
174.05658	0.3
180.04362	0.4
188.03520	1.0
190.05083	0.4
192.03026	0.6
195.06602	1.0
206.04761	0.8
233.01405	0.3
242.88097	0.2
251.11299	0.4
306.06030	0.3
319.10446	1.1
350.08914	1.2
534.14838	1.1
594.18298	0.4
631.24719	1.0
632.24689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88140	0.4
58.02743	0.5
58.02985	8.3
58.37008	0.4
59.01389	0.5
59.67563	0.4
61.98832	0.5
64.81706	0.5
66.03475	0.4
70.02982	0.6
71.01367	0.7
72.00903	0.9
73.76822	0.4
74.02071	0.8
74.02467	16.1
75.51351	0.4
81.04597	0.6
82.02986	2.8
84.04537	0.7
86.02473	7.2
86.06124	2.0
86.99090	1.0
87.05630	5.0
88.04037	0.9
90.00182	1.1
96.04558	0.5
97.04065	1.8
99.05640	17.2
100.00410	1.8
101.07185	2.6
102.05586	2.0
107.06161	0.8
108.18671	0.4
109.02966	1.1
109.04053	2.1
109.07670	0.8
109.57467	0.4
111.05647	1.0
112.04031	2.6
113.03545	0.5
116.01769	1.0
119.05019	0.8
119.52773	0.5
120.01212	0.6
121.02885	0.5
123.05643	1.0
124.04046	0.7
125.03552	2.2
127.05128	3.1
128.03535	42.3
131.04588	0.7
133.02972	0.5
134.03732	13.1
135.04428	3.1
135.05661	3.4
136.04887	0.9
137.07240	0.7
140.90828	0.5
141.06718	5.3
143.04628	57.0
144.01308	0.7
145.02972	0.8
145.06197	2.2
146.03664	2.3
146.04623	4.7
149.06075	4.3
150.06451	1.7
153.06721	4.5
155.08267	1.0
159.04428	0.8
160.00726	14.5
162.05602	1.1
166.09897	2.2
167.04607	4.0
167.08246	2.3
170.03253	0.7
171.07719	0.5
175.04047	0.5
177.03346	4.2
179.04628	11.7
181.06230	1.9
184.10759	0.8
185.05724	2.3
188.03436	1.0
192.07883	1.1
197.05717	1.8
210.08844	10.6
228.09821	0.7
242.07912	2.2
254.07889	8.4
267.06592	1.9
268.07056	0.7
272.08929	14.4
282.08978	0.9
283.09711	0.5
288.06534	4.8
306.07697	100.0
307.07727	0.8
320.62433	0.6
349.58151	0.5
353.08261	0.6
361.22501	0.5
423.14984	0.5
437.17276	1.1
438.17480	2.4
451.18753	1.0
452.19034	4.0
534.72900	0.5
588.24487	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	632.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02995	7.6
61.98830	1.5
68.06953	0.9
74.02475	18.5
82.02978	1.7
84.04565	1.0
86.02484	8.7
87.05631	6.0
88.04018	1.5
90.00182	1.0
96.04567	1.2
97.04083	1.2
99.05643	14.6
101.07205	2.1
102.05610	1.6
109.04088	1.2
112.04057	1.8
123.05572	1.9
124.04003	1.3
125.03555	1.2
127.05134	2.4
127.56627	1.1
128.03534	44.5
135.05649	4.7
141.06685	3.9
143.04623	57.2
145.06187	2.3
146.04587	5.4
153.06683	5.6
160.00755	13.4
166.09692	1.2
166.96822	1.0
167.04660	2.1
167.08318	1.6
171.07713	1.7
177.03403	5.0
179.04626	12.9
181.06265	1.7
210.08858	11.6
254.07895	7.7
272.08951	18.5
288.06564	2.2
291.70917	1.0
306.07703	100.0
455.13580	1.1
628.20044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	38.4
69.03454	3.4
71.01380	41.4
73.02932	2.8
85.02950	7.7
87.00839	6.6
89.02424	21.5
90.18982	3.3
92.16116	3.3
101.02440	14.3
102.60242	3.2
113.02435	15.9
119.04972	3.2
125.02450	6.7
125.09668	5.8
127.23209	3.9
139.11369	3.7
171.10197	4.6
196.16615	3.2
211.13544	4.0
223.08975	3.3
271.20660	6.5
291.19632	13.2
293.21146	20.5
301.20135	4.1
302.20670	4.9
309.20731	100.0
315.19644	4.3
329.23453	14.5
330.23752	5.6
333.20761	13.6
339.83963	3.7
381.22769	3.6
411.23859	6.3
453.24515	6.1
471.25888	6.9
633.31354	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24040	1.6
61.98830	7.1
71.01388	2.7
87.09101	1.4
89.02427	2.1
96.96032	2.9
101.02420	1.8
122.47942	2.1
126.38960	1.9
128.59447	1.9
132.04538	11.1
137.79884	1.7
144.04561	19.5
160.04042	64.0
162.05605	100.0
178.05078	11.6
188.03532	93.3
206.04590	36.0
238.33656	1.6
418.65237	1.9
472.14694	96.1
473.14987	7.3
634.19745	2.6
656.17749	1.9
658.65247	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	634.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.6
60.63700	1.1
61.98831	20.9
63.39482	1.3
68.19493	1.1
71.01362	6.2
79.26638	1.2
85.02965	1.2
89.02451	2.5
92.65170	1.5
96.96001	3.0
101.02388	1.8
121.05067	1.4
132.04526	11.0
138.60008	1.3
144.04532	17.0
147.03288	1.6
160.04034	48.1
162.05605	87.4
162.83923	1.4
163.05881	1.9
178.05090	7.6
188.03528	85.4
189.03873	1.6
197.72539	1.4
206.04620	34.6
248.05595	1.7
293.12619	1.9
472.14627	100.0
473.14963	3.2
624.35138	1.5
634.19989	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	634.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69397	0.3
58.02987	8.3
63.58121	0.3
66.03487	0.7
68.05061	0.4
70.02971	0.7
72.00917	0.8
74.02080	0.6
74.02482	16.1
81.04592	0.8
82.02991	2.2
84.04536	0.6
86.02484	5.8
86.06120	0.9
86.99081	1.3
87.05649	3.9
88.04041	0.4
90.00185	1.6
92.11705	0.7
96.04519	0.3
97.04042	2.3
99.05639	16.3
101.07230	2.8
102.05585	2.2
107.06158	0.8
109.04097	2.6
109.07694	0.8
111.05640	1.4
112.04034	1.8
113.03556	0.6
116.01768	0.8
120.01244	0.6
123.05638	2.1
124.04047	0.7
125.03555	1.4
127.05112	2.4
128.03532	39.0
129.99641	0.6
130.17792	0.3
131.04562	1.3
135.05652	4.5
137.07198	1.6
141.06703	5.0
143.04626	56.2
145.06204	3.1
146.04599	4.5
153.06693	4.3
155.08247	0.7
160.00735	14.2
166.09848	2.6
167.04637	4.9
167.08301	2.6
170.03416	0.4
171.07683	0.4
177.03412	3.8
179.04633	10.2
181.06184	2.2
184.11023	0.6
185.05682	2.2
192.07797	0.8
197.05682	0.7
198.08868	0.6
210.08867	10.6
222.94896	0.4
242.07779	0.8
254.07849	8.1
272.08871	12.9
281.63095	0.4
288.06561	5.3
306.07678	100.0
436.87134	0.4
634.30371	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82573	0.6
55.01875	2.5
57.03452	3.2
58.00599	0.9
59.01388	38.7
60.95650	0.5
63.81033	0.5
69.03452	2.1
71.01385	49.3
72.99306	2.1
73.02954	12.9
78.95871	0.5
81.03448	1.2
83.01390	5.2
85.02952	19.4
87.00860	5.3
87.04530	3.0
89.02443	27.3
95.01376	2.2
96.96011	3.3
97.02962	5.0
99.00881	5.5
101.02440	42.5
111.00889	1.3
113.02448	18.5
119.03502	10.5
125.02445	8.3
129.01933	3.1
130.08710	3.0
131.03503	9.3
141.01959	2.1
143.03516	5.3
148.14668	0.5
149.04562	1.1
157.07681	0.7
158.08061	0.7
159.03020	2.4
160.04083	1.3
161.04572	15.1
162.01953	1.3
179.05617	6.4
221.03012	0.8
221.06744	3.8
222.04114	2.4
238.08112	0.6
245.06628	2.9
251.11366	7.6
263.07758	3.1
323.09769	2.3
354.95520	0.6
383.12228	0.7
413.16718	11.9
415.28641	0.6
453.28610	0.6
575.22028	100.0
576.22607	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	635.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.8
57.03451	2.7
58.00602	1.2
59.01390	50.1
69.03461	1.3
71.01392	47.8
72.99313	2.6
73.02953	15.6
78.95931	1.1
83.01389	6.1
85.02956	20.3
87.00891	6.2
87.04530	4.8
89.02453	33.4
95.01390	4.3
96.96029	3.1
96.96992	0.9
97.02941	4.5
99.00890	6.7
101.02445	47.6
102.02816	0.7
111.00887	3.6
113.02454	20.4
119.03499	10.4
125.02452	8.0
126.62276	0.7
129.01965	4.4
130.08762	4.8
131.03519	9.8
136.35889	0.7
141.01973	1.0
143.03511	5.5
145.05113	0.8
159.03011	1.4
160.04073	3.1
161.04559	16.9
162.02016	1.0
173.04643	0.8
179.05597	6.5
199.51579	0.6
221.06729	3.7
222.04144	1.5
245.06714	3.4
251.11368	8.8
257.30518	0.7
263.07675	3.2
275.76468	0.7
292.59390	0.7
323.09872	1.4
376.30475	0.7
382.87045	0.7
413.16684	12.8
441.89554	0.9
487.95932	0.7
575.22034	100.0
576.22418	4.7
580.20886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92776	1.7
53.15602	1.8
59.01380	5.3
61.98825	11.9
71.57587	2.4
80.59376	2.0
112.91432	2.5
121.02950	4.2
122.03702	9.2
133.02898	2.9
134.03729	100.0
134.04779	3.4
135.04486	30.2
136.01646	2.6
144.04581	2.3
149.02403	12.0
149.05005	3.6
149.06084	54.7
150.03221	62.9
151.03943	3.4
154.71059	2.4
160.01677	3.3
161.02403	2.3
161.06128	2.7
162.05635	10.0
164.55124	2.3
165.05550	55.5
175.03978	3.7
180.04350	3.2
186.70831	2.3
188.03470	3.0
193.05098	4.2
195.06657	16.1
204.06638	2.8
206.04651	3.3
247.10915	4.6
273.08768	8.5
274.09576	30.5
289.11966	42.3
339.07684	2.7
420.29950	2.7
437.17184	3.7
439.18811	56.5
508.75119	2.7
511.56335	2.8
543.59955	2.4
587.23859	2.7
635.26465	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	635.329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.4
58.00598	0.9
59.01112	1.7
59.01395	32.2
66.39077	0.8
66.95396	0.8
71.01387	28.4
73.02935	4.7
83.01380	1.2
85.02950	7.0
87.00871	7.8
89.02438	14.3
89.16785	0.8
95.01367	2.2
97.02982	1.5
98.10471	0.8
99.00880	2.1
101.02433	11.4
113.02446	10.4
119.03482	6.0
125.02435	9.4
125.06102	1.2
125.09689	5.8
139.11299	1.8
141.01913	1.9
141.09233	1.3
143.10789	1.1
153.09146	1.2
155.14348	1.2
159.75307	0.9
171.10280	3.7
179.05661	1.1
181.15921	1.1
199.09773	1.2
200.10458	3.3
215.12845	1.0
249.22289	1.9
265.21686	1.0
273.22174	4.2
275.19974	1.4
293.21240	12.7
295.22787	25.2
311.22318	100.0
312.22629	2.1
317.21301	12.9
325.24100	1.1
335.22308	12.4
347.22293	4.7
365.23325	4.1
383.24484	4.0
413.25577	5.8
455.26553	8.2
473.27380	9.4
635.32941	96.1
636.33264	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	635.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03445	3.4
59.01111	1.0
59.01389	19.5
61.60896	0.7
61.90270	0.7
63.35612	0.8
71.01386	22.1
71.49754	0.6
73.02949	7.2
73.15559	0.6
78.19862	0.8
83.01383	1.1
83.05031	1.0
84.55434	0.6
85.02940	3.4
87.00871	4.8
89.02435	11.1
95.01366	1.0
97.02946	1.6
101.02441	13.4
113.02448	4.4
113.09734	4.5
113.90506	0.7
116.02798	0.7
119.03457	1.9
125.02410	1.4
125.09699	0.9
127.11337	0.9
133.10245	0.7
139.11270	4.5
151.11330	2.8
152.88237	0.7
154.09895	1.2
171.10266	1.4
177.12846	4.1
192.11465	0.8
195.13913	4.6
196.14677	1.1
199.13438	1.7
216.68629	0.8
221.11903	0.9
243.36533	0.8
247.20732	1.2
249.22278	1.7
273.22177	3.5
291.19788	5.3
291.22986	0.8
293.21265	87.2
294.21478	1.3
295.22800	32.0
307.22949	1.7
309.20746	1.4
311.22318	100.0
312.22464	1.7
313.23868	1.1
317.21280	26.1
319.22675	0.8
323.22525	1.2
329.23499	1.5
335.22339	20.3
337.24133	1.1
347.22339	3.2
353.23459	3.1
365.23358	4.7
383.19791	0.8
383.24362	6.7
413.25446	12.7
455.26523	4.9
473.27579	21.5
522.36243	1.1
635.32959	93.4
636.33386	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	635.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07149	0.4
54.04517	0.4
55.01865	0.8
55.65025	0.5
56.33620	0.5
57.03436	2.0
58.00587	0.6
59.01382	26.9
60.92356	0.4
63.10031	0.4
63.40830	0.4
65.46129	0.4
68.36441	0.5
69.03440	2.5
71.01376	24.8
72.99281	0.6
73.02950	4.1
76.94933	0.5
83.01370	1.2
85.02937	6.1
87.00867	0.9
89.02433	11.9
90.87879	0.5
95.01364	2.8
97.02919	2.7
101.02428	7.8
113.02449	6.4
119.03505	3.3
123.00867	2.1
125.02423	12.8
125.06026	0.6
125.09705	4.5
138.40999	0.5
139.11246	2.6
141.01912	1.0
141.09216	2.1
141.12820	1.3
153.09163	2.2
155.14395	2.5
161.04552	0.5
167.10719	0.9
168.75211	0.5
171.10283	3.0
179.05624	0.9
181.16019	0.7
199.09933	0.6
200.10545	3.6
205.24973	0.6
214.52429	0.6
220.80698	0.5
239.23799	0.7
249.22325	2.6
265.21835	0.9
267.23306	0.8
273.22192	0.8
275.20117	0.9
283.22672	0.6
293.21268	10.8
295.22806	10.6
309.20844	1.2
311.22299	100.0
312.22620	1.9
317.21143	4.6
335.22479	4.9
347.22360	2.1
365.23325	2.0
366.15866	0.5
383.24075	2.7
401.23480	1.0
419.24307	1.1
455.26474	6.9
473.27570	3.1
629.68365	0.6
635.32916	77.6
636.33264	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	635.526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46722	0.2
51.94826	0.2
52.10963	0.2
59.01379	0.3
76.57056	0.2
79.49287	0.2
92.12425	0.5
128.73651	0.2
145.31192	0.2
234.13831	0.2
250.43294	0.2
263.35995	0.2
279.23303	100.0
280.23621	4.6
281.55347	0.2
381.99136	0.2
390.41724	0.2
423.39865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07084	0.2
55.47863	0.2
64.34667	0.2
87.12976	0.2
96.09430	0.2
159.33385	0.2
182.87752	0.2
261.22217	0.4
279.23285	100.0
280.23593	1.3
403.46600	0.2
432.45279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29141	0.7
54.82729	0.7
59.01384	3.4
61.98823	3.1
71.01373	5.3
72.99306	0.9
85.02940	3.4
89.02462	1.0
95.01387	1.3
96.96010	1.7
99.00831	1.1
101.02435	1.6
108.02169	51.8
109.02959	12.2
113.02412	3.4
120.04510	1.0
121.02938	1.3
125.02439	1.4
131.03682	0.7
132.04640	0.9
134.06075	1.1
135.04486	1.1
137.02458	1.1
144.04543	4.0
146.06099	3.4
147.03297	5.0
152.01146	100.0
153.01913	6.4
155.87274	0.7
160.04031	11.9
161.02357	0.8
162.05598	72.6
163.03989	3.2
163.05960	4.9
176.87378	0.8
177.01878	0.8
178.05125	1.6
188.03522	11.2
190.05058	1.2
193.05003	1.0
206.04576	19.4
207.03003	1.3
207.04854	1.2
249.05978	0.8
297.06143	1.0
315.07199	1.7
429.10370	9.2
443.14197	1.2
447.11368	4.0
521.63397	0.8
592.17450	0.9
636.15741	76.2
637.15820	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	636.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86078	0.2
59.59275	0.2
61.43513	0.2
73.02934	0.4
77.94798	0.2
78.95927	0.3
83.78110	0.2
99.92581	5.1
116.92850	100.0
116.97237	1.2
117.01943	0.4
117.92867	0.6
233.85489	0.3
237.32805	0.3
279.23334	3.4
280.23669	1.7
304.45212	0.3
314.54611	0.3
331.46576	0.3
398.68207	0.3
447.25507	0.3
448.25714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15364	0.2
56.16086	0.2
65.77498	0.2
73.02925	0.4
78.95900	0.5
85.84628	0.2
95.13068	0.2
99.92581	6.4
116.92854	100.0
117.01942	1.1
117.92879	1.9
267.90866	0.2
279.23364	2.8
280.23715	1.3
347.37747	0.2
427.75809	0.3
447.25394	0.5
469.41818	0.3
511.59842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.4
59.01389	3.5
61.98798	0.4
63.32470	0.2
64.34375	0.2
71.01382	13.1
71.01753	0.4
72.99306	2.2
73.02917	1.0
75.00854	0.2
76.57532	0.2
83.01380	2.6
85.02939	4.0
87.00841	0.5
89.02426	1.1
93.03448	3.9
95.01368	1.9
99.00892	1.6
101.02391	1.0
103.00361	0.8
113.02446	5.1
115.00368	2.1
126.08430	0.3
131.03464	0.4
132.02126	0.4
133.01379	0.5
134.03656	1.0
137.02438	4.2
149.02460	0.5
154.54137	0.2
160.01622	2.6
160.03972	0.3
161.02431	0.2
162.05577	1.5
175.02458	0.9
175.03981	2.7
188.03557	1.0
193.05051	0.3
199.04030	0.2
206.04611	0.3
223.06125	0.9
227.03484	1.0
251.93834	0.2
257.82007	0.2
268.03674	0.5
271.02502	31.2
272.02908	0.3
272.66574	0.2
284.03339	0.5
285.04022	2.4
297.04047	0.5
299.01993	58.8
300.02542	1.9
307.06732	7.0
310.38297	0.3
313.03619	6.3
314.04352	42.0
315.04929	1.4
328.06042	0.4
329.06708	100.0
330.07040	3.0
343.08276	0.3
357.06165	0.3
371.07819	1.3
401.08395	0.3
407.52377	0.2
413.11035	1.1
503.11664	0.4
575.14465	0.5
601.17883	0.5
616.07257	0.3
637.14166	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	637.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96586	0.6
54.10915	0.5
59.01370	1.4
62.57158	0.6
66.81542	0.6
72.99300	1.3
75.31837	0.6
78.95895	3.4
85.02940	1.1
93.03447	90.7
101.38265	0.7
104.98795	0.8
108.02180	0.9
110.98510	8.8
113.02438	1.4
121.02951	9.5
132.02180	1.3
135.04541	3.4
137.02440	89.2
147.04512	2.9
149.02438	62.2
150.02806	0.9
151.00383	1.1
152.01187	6.6
159.04399	0.9
160.01653	1.0
163.04007	6.9
164.04788	43.7
165.01970	1.4
167.03491	2.9
169.05002	1.0
175.00368	5.6
175.04012	0.9
179.07111	5.8
185.02194	8.4
190.02711	15.9
193.01430	18.0
194.05096	0.9
205.05060	17.7
208.03790	30.8
208.05646	1.6
223.06136	100.0
256.03735	0.8
284.03278	47.0
285.04041	1.0
299.05630	46.1
300.05917	0.9
337.07840	0.8
413.10968	17.1
431.12067	6.6
434.75644	0.8
572.84546	0.8
584.14862	0.7
637.16302	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	637.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87443	0.4
55.01885	0.5
57.03442	0.5
59.01375	2.2
61.98827	0.7
62.99628	0.4
64.29373	0.4
71.01387	4.3
72.99297	3.1
73.02946	0.7
80.68866	0.4
83.01420	0.6
85.02959	2.6
87.00873	0.5
89.02454	0.5
89.03966	0.8
92.11668	0.8
93.03436	1.0
96.95992	0.7
99.00874	0.6
101.02447	2.0
107.01398	0.5
108.02174	36.3
111.00860	0.5
113.02450	2.8
115.00359	0.5
117.03458	5.6
119.05025	2.2
121.02959	1.0
123.04515	20.4
125.02361	0.4
132.02205	5.8
132.03119	0.6
133.02951	1.9
134.03734	94.5
135.04192	1.0
137.02448	8.1
139.04013	1.8
145.02945	0.7
146.76866	0.5
149.06067	13.3
150.03247	0.7
151.00398	0.6
152.01158	76.5
153.01564	0.9
156.14999	0.5
160.01660	20.7
160.03877	0.7
160.72653	0.4
161.02321	1.0
161.04453	0.5
162.05673	3.2
167.03491	100.0
168.03824	1.0
170.75232	0.5
171.98488	0.4
175.03998	26.5
176.04361	0.4
178.02715	27.6
179.03395	1.0
181.04950	0.6
188.03479	0.7
193.05064	90.3
194.05365	2.2
198.02155	0.4
198.42418	0.4
211.36644	0.4
255.02905	0.7
256.03815	1.7
284.03293	26.4
285.03699	1.9
299.05640	29.4
300.05957	1.0
311.34882	0.5
337.07901	1.8
372.96271	0.5
422.86136	0.5
443.12024	37.1
444.12515	2.0
461.13098	8.8
462.13318	0.6
559.16553	0.5
601.17944	0.9
637.17865	16.5
638.18018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66703	0.3
51.15194	0.3
57.03422	0.3
58.00584	0.4
59.01387	44.5
59.86254	0.4
68.00873	0.4
71.01382	27.4
72.99301	3.4
73.02944	0.7
75.00860	0.6
83.01366	0.5
85.02946	4.8
87.00874	1.8
88.04029	0.6
89.02439	31.5
95.01378	1.7
101.01766	0.6
101.02434	17.7
107.98333	0.4
111.00838	0.5
113.02444	10.0
114.01946	0.4
115.00353	18.9
115.03967	1.5
119.03490	13.7
131.03481	0.6
131.04636	0.5
132.03021	3.0
133.01419	33.1
133.05060	4.0
140.21571	0.4
143.03496	0.6
148.13194	0.4
149.04501	0.6
150.78049	0.4
161.04517	0.8
179.05589	0.8
294.11911	0.4
295.10355	100.0
296.10678	0.8
576.54803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
58.00598	0.6
59.01385	28.1
59.59552	0.6
61.98836	1.3
67.06054	0.7
69.03449	3.0
71.01382	23.4
72.99287	3.6
73.02947	5.9
74.62481	0.7
83.01389	4.6
85.02953	10.9
87.00861	1.2
89.02435	6.5
93.03455	7.3
95.01380	1.5
97.02959	2.8
99.00865	1.5
101.02443	12.3
101.15215	0.7
103.03994	6.1
109.02995	1.0
113.02464	7.1
115.00348	1.0
119.03485	3.2
119.04990	0.7
121.02952	8.4
122.03752	1.1
123.00915	0.7
123.04502	0.8
125.02425	9.6
131.03516	1.1
131.60793	0.6
132.02167	3.0
133.01332	0.8
133.02870	0.7
134.03754	4.5
135.04512	0.8
136.05299	1.2
137.02452	6.4
137.06105	1.0
139.00443	0.8
143.03506	1.0
143.05045	1.5
144.04529	1.5
145.02916	0.9
145.06621	0.8
146.06117	1.2
147.04561	4.3
149.02461	3.1
149.06128	1.2
150.03244	9.5
152.01126	0.8
153.05635	0.8
154.02756	0.7
158.02524	1.0
158.03687	6.8
159.04520	18.7
159.05772	0.9
160.01718	12.4
160.04054	4.1
160.05295	53.6
161.02487	1.6
161.06088	17.4
162.05615	10.2
163.04008	6.8
163.06010	5.4
164.04791	9.9
167.03531	0.9
173.06035	7.6
175.02582	1.4
175.04025	16.9
175.07645	46.2
176.04755	0.9
177.05609	11.0
178.06357	11.1
179.03488	1.0
188.03510	6.9
192.07933	1.1
193.05115	4.0
193.08752	3.2
204.06763	0.7
204.46625	0.8
205.07065	0.8
206.04613	3.8
223.06177	1.6
227.03499	1.0
247.08203	1.6
268.03729	1.1
271.02505	29.0
271.05405	1.1
272.03015	1.6
285.03928	3.4
299.01978	55.1
300.02426	4.6
307.06781	8.7
307.10217	1.8
313.03586	6.9
314.04352	42.6
315.04855	2.8
329.06741	100.0
329.13943	90.1
330.07034	7.0
330.14374	3.5
371.07895	1.1
394.15128	0.7
413.10938	3.2
445.61618	0.8
559.16516	0.9
601.17792	7.1
637.14301	9.8
637.25366	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	637.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23920	0.2
59.01369	0.4
61.98829	0.3
73.61105	0.3
89.10775	0.3
89.42036	0.3
92.12405	0.5
117.72083	0.3
123.49312	0.3
162.65253	0.3
181.44202	0.3
201.11227	0.4
236.34608	0.4
279.23300	100.0
280.23657	1.9
280.26486	0.3
335.80115	0.3
526.90161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18283	0.4
55.72518	0.5
59.01379	1.4
60.43201	0.4
61.98842	7.6
66.15581	0.5
71.01398	4.0
73.02934	1.4
76.02454	0.6
81.15592	0.5
85.02976	1.2
87.00852	0.8
89.02454	1.3
96.96011	1.0
101.02435	3.6
102.86192	0.5
103.83141	0.5
113.02444	1.0
119.05019	2.4
132.04543	9.5
144.04556	16.9
145.03030	0.9
152.01183	0.6
160.01869	1.1
160.04044	40.3
161.02466	3.1
161.04521	0.7
162.05612	54.5
167.03500	1.2
175.04034	1.3
178.05104	9.9
179.05644	0.6
188.03545	100.0
189.03882	1.4
193.05081	1.0
206.04617	16.1
215.14381	0.6
222.09126	0.6
294.82489	0.6
375.35037	0.6
413.14612	2.5
440.15683	76.9
441.16092	2.3
575.19916	0.8
602.20996	22.1
603.21069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51108	1.1
51.79610	1.2
56.99049	1.2
59.01370	2.2
61.98810	2.3
64.11530	1.5
74.02480	1.8
76.57813	1.5
128.03526	12.9
139.35016	1.3
157.97748	7.5
183.99275	26.5
192.99335	10.9
193.68079	1.3
199.96996	1.5
208.98831	7.0
225.01996	1.7
237.02705	1.5
240.99362	1.9
241.01631	15.1
264.03278	1.9
266.04874	2.5
266.99298	2.7
292.02637	11.6
295.22769	1.5
298.01801	2.8
301.11499	1.4
310.03781	25.6
312.22760	2.2
328.05792	2.2
342.00800	10.1
365.14896	8.0
470.40384	1.6
588.21875	1.9
620.23267	2.8
638.24585	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	638.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80070	0.1
59.01376	0.3
61.59106	0.1
61.72300	0.1
65.68989	0.2
78.95904	0.3
99.92580	4.6
116.92857	100.0
116.97240	1.2
117.01942	0.4
117.92848	2.1
171.04050	0.2
191.57219	0.2
281.24829	1.7
282.25131	0.4
341.10773	0.3
367.83514	0.2
572.96307	0.2
650.72705	0.2
661.69141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.2
51.86273	0.2
59.01378	0.2
67.78729	0.2
69.23429	0.2
78.95904	0.4
82.05708	0.2
88.18620	0.2
94.15400	0.2
99.92587	5.4
116.92859	100.0
116.97215	2.7
117.01949	0.4
117.92877	2.5
127.04585	0.2
131.57469	0.2
148.05939	0.2
205.54707	0.2
281.24979	0.4
281.37970	0.2
365.72958	0.3
379.62064	0.3
455.85278	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83702	0.6
59.01382	1.3
61.98838	1.3
64.34211	0.8
78.95898	19.7
96.96929	1.0
103.13411	0.9
122.00117	8.3
126.94715	0.8
140.01189	4.7
152.99580	30.6
190.15491	0.9
196.03758	8.5
214.04813	1.8
268.05899	6.2
279.23300	100.0
280.23517	1.6
476.27838	27.5
518.29004	1.6
630.40527	1.0
638.33185	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82453	0.3
55.78326	0.2
57.03420	0.2
57.87673	0.2
59.01375	1.5
63.02402	4.0
65.00329	9.2
65.00691	0.3
65.42516	0.2
66.85767	0.2
69.03455	0.2
71.01383	2.5
73.02950	0.4
75.00868	2.4
78.28516	0.2
83.01388	6.4
85.02950	1.8
86.04834	0.2
87.00864	0.5
89.02417	0.2
94.37302	0.2
95.01378	0.5
99.00833	0.4
107.01389	17.1
108.02171	4.7
113.02436	2.0
117.01891	0.3
122.02486	1.2
123.00836	1.1
123.04529	2.1
124.01625	1.8
125.02445	4.3
134.03740	24.8
135.04494	1.1
136.01642	3.0
136.04074	0.3
149.06084	19.1
149.99574	2.1
151.00375	54.9
152.00638	0.8
158.03745	0.5
160.01646	0.5
161.02518	0.3
164.01161	7.5
165.01939	2.5
167.03528	0.3
168.00648	4.7
169.01450	3.6
174.03229	1.3
175.02527	0.3
175.04002	1.4
177.01924	4.5
191.07190	0.5
193.05099	0.5
196.00113	4.0
199.04025	1.5
200.04788	0.4
201.01987	1.3
214.06418	0.4
215.03558	1.1
215.07280	0.3
217.05014	0.4
220.88155	0.2
233.08205	0.3
242.05925	1.3
253.62762	0.3
257.08148	1.8
258.05338	0.4
259.06076	0.3
285.04080	1.3
286.04901	3.1
301.07199	100.0
302.07516	3.8
337.07770	2.1
430.20963	0.3
459.20059	0.3
538.75061	0.3
639.15747	18.3
640.16058	1.1
642.01062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.1
59.01109	0.7
59.01389	14.3
64.34522	0.4
69.37045	0.4
71.01388	14.2
72.99288	2.3
75.00871	8.3
83.63052	0.5
85.02473	0.6
85.02953	15.8
86.82745	0.5
87.00844	5.5
89.02440	7.4
89.28739	0.4
91.03993	2.3
91.05509	4.1
93.03423	0.6
93.09945	0.4
95.01376	2.8
96.95997	0.6
97.41536	0.4
99.00880	4.9
103.00355	1.6
109.02917	0.7
111.00859	0.5
113.02444	22.9
115.00327	1.0
117.01920	1.9
117.03442	5.6
129.01920	0.8
129.88385	0.4
132.02156	1.1
133.02937	20.8
133.03957	0.8
134.03732	3.8
135.04514	45.4
135.25887	0.4
136.04832	0.6
137.02455	3.3
139.04004	0.9
154.41426	0.4
160.04047	0.5
161.02437	77.2
162.05585	0.6
163.03981	0.8
167.03485	0.5
175.02425	0.9
179.03503	14.1
183.79506	0.5
188.03563	0.7
190.02692	0.6
205.05180	0.8
205.07166	0.5
207.05124	0.7
249.06195	4.7
253.07172	100.0
254.07466	3.5
267.07205	50.1
268.07574	1.8
297.12173	0.5
385.11423	40.3
386.11697	1.7
487.17358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08691	0.6
52.83334	0.5
58.08484	0.5
59.01396	2.2
61.01574	0.5
61.98832	0.7
64.91589	0.6
66.08609	0.5
71.01392	1.3
75.00883	1.3
85.02956	1.1
93.94980	0.6
99.00854	0.8
104.46342	0.6
113.02426	1.3
153.71956	0.6
261.73767	0.7
301.21756	100.0
302.22061	1.1
308.19150	0.7
318.95486	0.6
337.07877	3.3
389.00778	0.6
405.65460	0.6
464.08295	0.6
475.20026	2.2
542.20978	0.6
639.30371	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82070	4.3
54.82634	4.6
55.33157	4.2
59.01387	26.8
61.98826	9.8
63.56090	3.4
71.01375	22.4
73.02954	4.8
78.95890	8.1
85.11731	4.1
87.00860	27.8
89.02451	25.9
101.02454	9.9
104.41114	4.9
113.02458	7.3
116.92882	4.6
117.04961	4.5
119.03526	7.2
140.59790	5.3
161.04544	9.3
162.96762	4.6
226.28629	4.1
277.21878	5.3
279.23294	100.0
281.24716	7.3
282.34839	4.6
293.24902	19.0
295.22742	51.9
323.09802	30.8
341.10907	56.1
393.96976	5.9
477.25995	17.0
603.33942	55.1
609.97467	4.8
639.32263	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47754	1.8
53.71115	1.7
58.54254	2.3
59.01387	44.4
61.98821	3.1
71.01380	29.6
78.95892	13.0
83.01440	2.2
85.02947	3.3
87.00848	4.5
88.87174	2.6
89.02444	34.4
92.12533	2.5
96.96964	2.6
101.02435	20.0
113.02465	17.4
119.03481	14.0
133.68723	2.5
143.03479	3.1
171.10323	2.3
179.05598	19.6
185.52483	2.3
197.11708	2.2
215.03329	10.5
279.23322	100.0
280.23636	2.3
307.75854	2.7
323.09903	28.3
329.22974	2.3
341.10922	51.1
603.33868	47.0
639.31873	46.3
639.42761	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	639.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26401	0.8
57.03456	1.6
59.01387	38.5
71.01376	37.4
72.99314	2.2
73.02927	6.8
78.95895	6.1
83.01385	7.8
85.02947	10.0
87.00874	41.6
89.02440	30.9
92.11716	1.8
95.01376	2.1
97.02921	1.4
99.00857	1.8
101.02438	24.1
113.02453	26.3
115.04025	1.7
116.92850	6.2
118.64570	0.8
119.03494	8.4
122.02000	0.9
125.02387	2.0
129.01901	1.5
131.03528	1.4
141.01950	1.4
143.03481	4.5
152.99617	1.1
161.04578	9.2
179.05629	9.3
218.88135	0.9
237.00191	0.9
239.23929	1.2
255.23312	100.0
267.23453	1.1
269.24878	56.9
277.77579	0.9
279.23410	3.3
281.24893	3.6
282.25348	1.1
297.24350	13.1
313.23651	1.8
323.09851	24.1
327.25418	1.2
341.10919	40.4
402.66229	1.1
429.99860	1.0
530.16644	0.9
579.33856	34.4
599.79926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37418	0.3
55.01878	0.9
56.91522	0.3
57.03442	0.8
58.00587	2.0
59.01385	55.4
69.03443	0.5
71.01379	38.1
72.99291	2.3
73.02929	0.8
83.01384	3.5
85.02942	7.2
87.00872	6.9
89.02439	48.8
90.73082	0.3
92.12414	1.4
95.01363	2.3
97.02948	0.5
99.00893	0.6
101.01762	0.6
101.02432	17.6
101.15736	0.3
113.02446	18.9
115.51047	0.3
116.92914	0.5
117.01930	0.4
119.02679	0.6
119.03490	16.4
125.02395	0.6
129.01790	0.4
131.03462	1.8
137.87688	0.3
140.89539	0.4
141.01834	0.5
143.03471	4.6
148.33644	0.4
149.04567	0.9
161.04558	6.1
177.41856	0.4
179.05615	14.0
191.89667	0.4
247.57396	0.4
255.23311	100.0
256.23627	1.6
269.24832	6.9
279.23331	0.7
280.01169	0.4
280.92807	0.4
281.24887	1.6
297.24356	3.4
311.22018	0.4
323.06036	0.4
323.09869	21.1
341.10901	34.6
373.36630	0.4
381.26953	0.4
486.63336	0.4
579.33948	26.5
580.34155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58036	0.2
72.39679	0.2
76.57067	0.2
79.28230	0.2
80.28384	0.3
82.82795	0.2
83.83549	0.3
92.12360	0.6
279.23383	0.5
280.23593	0.4
281.24863	100.0
282.25238	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	639.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62744	0.4
74.10407	0.3
76.08659	0.3
78.36972	0.4
87.17522	0.3
92.11662	0.4
92.65469	0.4
99.28378	0.4
106.05373	0.4
119.34356	0.4
146.57204	0.4
263.07117	0.4
279.23376	3.6
280.23636	4.5
281.24887	100.0
282.25195	5.0
337.40805	0.4
535.28381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22204	0.9
54.31541	1.1
61.42905	1.0
61.98828	1.9
72.00907	2.1
72.62399	1.0
78.95894	6.3
92.07014	1.3
119.05039	1.4
125.03545	1.6
126.04382	1.7
126.26143	1.1
127.05127	2.1
128.03526	14.5
150.01711	17.0
152.01157	1.9
153.06651	1.5
160.00729	2.1
161.02373	1.5
162.05606	1.5
166.04906	1.8
167.04439	11.2
168.01529	2.4
168.02829	5.7
175.04892	2.2
181.05942	22.1
193.05913	2.6
197.05786	1.3
207.03896	13.1
209.03726	1.6
219.03864	2.9
221.05498	9.0
225.03741	1.6
238.08118	16.7
250.08145	7.3
253.02704	4.9
282.06049	1.5
284.07086	1.4
294.07245	12.1
328.05884	100.0
329.06134	2.4
335.35910	1.3
640.28699	10.4
647.58398	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97412	0.5
55.01876	0.6
59.01381	2.9
61.42343	0.6
61.98584	0.5
61.98837	8.2
67.01906	0.7
71.01373	3.5
72.99281	2.5
85.02945	2.7
88.98791	1.1
89.00318	2.4
89.02443	0.8
89.51917	0.5
91.01883	1.2
91.77447	0.5
91.87560	0.5
92.11761	0.8
93.03437	3.5
95.01363	2.8
95.18003	0.5
96.96001	0.7
99.00871	0.9
101.02414	1.2
106.00595	3.6
108.02169	37.2
111.00862	1.0
113.02426	2.6
116.02744	0.6
121.02946	43.2
123.00877	14.3
123.04503	21.8
127.00363	0.8
136.98795	0.6
137.02440	6.4
138.03212	10.1
139.00404	0.8
139.04025	0.6
144.04561	1.2
145.02919	0.8
152.01152	79.7
153.05571	26.7
160.04047	1.4
162.05632	3.2
166.01477	0.8
166.02759	0.7
166.99837	18.2
167.03490	100.0
168.00549	0.6
178.84415	0.5
181.01508	0.7
181.05063	0.7
182.02214	46.0
183.02922	2.5
188.03500	3.3
189.03880	1.0
195.01765	0.9
197.04556	90.8
209.04666	0.9
210.04016	1.0
224.08159	0.7
413.10876	2.4
440.15549	1.2
441.16006	2.2
443.12003	48.7
444.12195	0.8
461.12793	1.1
539.03503	0.7
603.20984	1.2
626.08496	0.7
641.17212	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	641.331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85418	4.4
59.01383	48.0
69.12554	4.8
71.01380	28.5
75.87888	4.9
78.95927	11.3
88.27220	7.2
89.02451	44.3
101.02436	9.7
104.01667	6.3
113.02431	8.6
116.92865	23.6
119.03491	6.7
137.61765	6.1
147.89594	5.5
171.10220	23.2
179.05710	10.9
277.21698	11.7
281.24869	100.0
290.71429	6.6
295.22781	32.2
318.23877	6.8
323.09839	25.9
323.25946	9.0
341.11002	39.8
436.06650	5.9
555.47626	6.3
605.35828	66.3
641.32593	41.8
641.47913	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	641.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45131	0.8
52.35058	0.8
53.63182	0.7
54.82967	0.9
74.82755	0.9
92.65915	0.9
125.09726	2.3
141.09209	1.6
155.14462	1.3
161.80629	1.0
171.10217	1.6
193.17906	1.0
200.10539	1.0
249.22275	3.4
267.23349	1.4
268.78705	1.0
275.24280	1.0
277.31549	0.9
278.69598	1.0
287.09756	1.2
293.21310	23.0
295.26587	1.0
311.22318	100.0
312.22711	1.0
545.56958	1.3
587.43146	5.6
605.44318	29.2
611.76605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79873	0.7
61.98829	1.0
76.39420	0.9
76.56692	1.2
80.03362	0.8
107.05000	1.2
117.03452	2.0
119.05014	23.4
133.02931	1.3
134.03729	100.0
135.04523	56.3
135.05562	1.5
145.02959	13.3
146.06174	0.8
148.05307	1.4
149.06079	36.1
160.01666	3.6
161.02449	1.8
175.03993	3.7
176.03545	1.6
200.73085	0.9
204.06660	3.3
243.54245	0.8
247.10849	1.4
258.73642	0.7
287.14008	3.6
316.16580	0.9
319.50986	1.0
330.14761	1.8
331.15363	1.8
342.14563	6.5
346.17670	1.7
357.13409	1.2
372.15662	3.5
449.20959	1.9
466.23535	1.5
473.99048	1.1
492.21420	37.5
496.24747	1.4
506.23209	6.0
522.22498	8.4
557.68872	0.8
642.28235	42.6
643.28650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.3
61.98827	2.3
62.66374	0.5
69.03452	0.8
70.82049	0.6
71.01366	2.5
73.02924	0.7
74.29373	0.5
81.03445	0.7
83.01379	0.9
85.02960	1.2
89.02470	0.8
91.01846	0.6
93.03465	1.0
95.01338	1.3
95.58979	0.5
96.96011	1.1
97.02962	1.0
101.02399	1.1
107.01434	0.9
108.02199	0.8
113.02444	1.1
119.03479	0.8
121.02979	10.3
123.00890	18.8
123.04548	1.2
124.01670	39.9
125.02451	19.8
133.02924	0.7
137.02422	5.1
139.04021	1.3
149.99596	62.9
151.00359	3.1
152.01151	1.4
153.05580	7.0
155.71988	0.6
162.05630	4.5
163.04007	0.7
166.99870	1.1
167.03491	4.3
168.00650	100.0
169.01418	5.7
175.03886	0.6
179.03560	0.7
182.02197	3.0
183.02887	0.9
191.05586	0.7
197.04565	11.4
206.04659	1.3
269.06931	0.8
331.06686	3.0
386.23798	0.6
445.10019	0.6
643.15204	76.3
644.15430	3.2
655.50281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	11.4
61.98827	1.1
66.94311	0.5
71.01367	3.8
73.02959	0.8
83.01379	2.6
85.02955	0.9
87.00855	1.3
87.89182	0.6
89.02433	2.9
93.03447	1.5
96.95988	2.6
97.02914	0.6
101.02428	2.5
102.65648	0.6
105.15958	0.6
113.02441	2.9
116.05033	0.7
117.03509	0.7
119.87066	0.5
132.02167	25.5
133.42776	0.6
134.03720	11.3
137.02448	3.3
146.06067	1.0
149.02374	0.6
149.06018	0.7
160.01659	100.0
161.02147	1.0
161.04419	0.7
162.05592	5.1
167.52393	0.6
175.04005	79.0
176.04446	0.7
188.03477	1.5
190.02750	2.9
190.05205	1.0
193.05055	8.3
200.04857	0.6
205.04971	1.4
206.04605	1.0
271.23276	0.6
341.10828	1.2
367.10117	1.1
559.17010	1.2
583.16644	4.8
601.18060	5.2
619.17377	0.7
643.18616	10.1
643.27863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44793	0.1
54.16658	0.2
55.72639	0.2
59.01111	0.4
59.01387	8.4
69.03445	0.2
71.01373	2.9
73.02946	1.5
81.03442	0.8
83.01378	1.2
83.05020	1.3
84.05366	0.2
85.02940	0.9
87.00872	2.0
87.88805	0.2
89.02427	1.3
91.81042	0.2
97.02953	0.4
101.02440	2.4
104.02690	0.2
108.02156	0.3
113.02465	2.0
117.03446	0.5
125.02433	0.4
128.91377	0.2
132.02168	27.0
133.02908	1.0
134.03728	12.0
146.06096	0.4
149.06137	1.7
160.01657	100.0
161.02095	1.2
161.04573	0.4
162.05603	0.5
173.54362	0.2
175.04001	90.9
176.04422	1.7
178.02745	1.1
179.03485	0.2
179.05647	0.3
193.05052	8.7
235.06369	0.2
243.17113	0.3
244.17598	0.3
247.06120	0.3
251.08083	0.2
265.07111	0.3
266.23367	0.2
291.24728	0.2
322.06970	0.3
323.09787	0.3
325.25058	0.2
337.09344	4.1
341.10965	1.1
360.53854	0.2
360.78198	0.2
383.12103	0.8
425.12848	0.2
501.57175	0.3
541.15747	2.0
559.16644	1.8
583.16675	3.6
601.17810	5.8
642.41864	1.4
643.18909	17.4
643.42078	1.1
644.19653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81088	0.2
59.01107	0.4
59.01389	8.7
59.40338	0.2
61.98830	1.6
66.54512	0.3
66.64900	0.2
68.86517	0.2
69.03452	0.3
70.10925	0.2
70.19979	0.2
71.01389	2.8
72.99271	0.3
73.02933	1.8
73.26725	0.2
80.87434	0.2
83.01387	1.2
85.02956	1.5
87.00875	2.2
89.02438	1.2
95.01363	0.5
96.96004	0.4
97.02892	0.4
101.02418	3.0
108.77931	0.3
113.02424	1.9
114.37857	0.3
117.03430	0.5
119.04996	0.4
125.02434	0.6
132.02158	27.7
133.02924	0.6
134.03720	10.5
137.02478	0.6
141.01912	0.3
143.03517	0.4
144.04515	0.6
146.06111	1.2
149.06076	1.8
149.90613	0.3
160.01646	100.0
161.02081	0.7
161.04544	1.2
162.05621	2.7
164.04808	0.3
175.03989	94.5
176.04340	1.2
178.02707	0.7
188.03496	0.6
190.05212	0.4
193.05046	8.2
206.04530	1.0
305.21167	0.4
322.07053	0.3
323.09875	0.4
327.21494	0.4
337.09290	3.0
341.10831	1.5
383.11896	2.1
425.12750	0.5
541.15674	1.5
559.16553	1.5
583.16748	3.4
601.17737	5.6
643.18793	16.4
644.18854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43314	0.8
53.46495	0.7
54.30331	0.7
57.12225	0.8
59.01381	1.2
61.98818	1.1
62.75646	0.7
71.01351	0.9
78.95927	0.8
90.88935	0.9
91.40242	0.8
107.64391	0.9
109.02944	5.5
117.03462	1.7
118.03811	1.2
119.05015	98.9
120.05333	22.6
126.92437	1.0
134.03763	1.0
136.01642	1.6
137.02444	22.4
145.02942	16.3
146.03314	4.8
150.03220	1.8
151.00336	5.4
151.04007	2.1
152.01073	1.4
160.01602	1.2
162.05566	1.2
164.01155	1.4
164.04814	0.9
165.01920	100.0
165.05551	2.0
166.02715	18.2
167.03432	1.8
175.03868	1.4
177.01945	1.1
177.05548	1.1
179.03499	25.2
180.04271	54.5
181.05055	17.2
187.04018	1.3
193.05025	1.3
194.05852	3.5
195.02956	1.8
195.06621	49.3
195.08400	1.9
196.06929	1.4
205.05078	4.8
210.05298	8.2
220.07430	1.5
223.06194	0.9
225.07684	27.5
288.03503	0.7
299.13858	0.8
316.16595	4.0
317.16861	2.0
319.08054	1.0
342.14609	10.0
343.14975	7.0
387.10544	2.0
387.14886	2.1
402.13263	1.4
403.13843	1.5
417.15546	17.3
418.15872	1.1
457.70432	0.9
462.20139	5.5
463.20767	10.0
503.37097	0.9
565.16681	1.8
582.26025	7.6
583.17639	1.6
583.26428	34.5
595.21863	26.4
596.22589	1.2
643.23242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	0.3
61.98840	100.0
62.24024	0.3
69.42797	0.3
76.57603	0.3
119.05033	1.5
134.03738	3.5
134.10556	0.3
135.04605	2.3
136.04886	0.5
145.02980	0.7
149.06094	1.8
162.05655	0.6
165.02092	0.3
380.20877	0.4
493.22098	0.8
494.22546	0.5
508.69382	0.4
523.22961	0.4
539.64136	0.4
644.28772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43876	0.1
81.03451	0.2
83.05029	1.2
89.03969	2.3
93.72641	0.1
106.04230	0.5
117.03459	10.3
119.05000	0.2
134.03734	100.0
135.04071	1.6
137.02444	0.4
139.04073	0.1
149.06084	5.6
160.04016	0.1
162.05566	0.5
178.02682	1.1
188.03542	0.2
193.05058	64.4
194.05412	1.4
224.17751	0.2
225.16064	0.8
333.22922	0.2
433.31784	0.7
433.53140	0.1
451.32919	11.6
452.33228	0.7
645.38745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40755	0.3
59.01358	0.3
59.78366	0.3
59.98512	0.3
61.67560	0.3
63.38450	0.2
63.56521	0.3
64.34898	0.3
71.01376	10.2
71.40851	0.3
78.95908	0.4
83.79256	0.4
97.06565	0.4
103.32440	0.3
123.08176	0.3
125.09701	1.4
125.99354	3.8
128.84773	0.3
139.11276	0.4
140.00908	0.4
141.09213	0.5
152.99542	0.6
165.01688	8.0
183.01208	2.5
193.04808	1.3
193.08464	2.5
194.05687	0.6
200.10663	0.4
212.03117	0.3
221.07965	2.7
222.08755	100.0
223.09120	1.7
229.06525	0.3
236.10416	0.6
241.04633	0.3
247.20708	0.3
254.07747	11.7
293.21194	1.4
299.33447	0.3
311.16959	6.7
311.22290	13.9
333.20511	77.2
334.20813	1.8
534.30774	0.4
667.06830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51186	0.2
57.03453	2.5
58.06596	0.3
58.43449	0.3
59.01391	1.9
63.74162	0.3
63.82848	0.3
65.03960	0.4
69.03452	1.7
70.66710	0.3
71.05017	0.6
71.58529	0.3
81.03442	0.5
83.05024	3.1
84.02177	0.3
97.02911	3.0
97.06596	2.3
99.08154	4.3
109.06596	0.7
111.08150	0.7
113.09724	4.9
121.10215	3.1
123.08151	0.6
125.09727	4.5
127.11318	2.6
137.09729	1.4
139.11290	18.0
141.09348	0.3
141.12865	0.6
147.11848	0.4
149.09698	0.5
149.13321	0.4
151.11317	0.6
155.10818	0.8
163.11292	2.8
165.08983	0.8
165.12842	7.4
167.10727	2.0
167.14330	0.7
168.11543	0.5
171.10266	42.1
175.11278	1.1
179.10645	0.7
182.13110	0.3
183.10236	0.8
183.13963	0.7
185.11852	4.3
193.06721	0.7
193.08479	17.7
193.12331	18.4
194.12758	0.3
195.13869	0.4
197.11882	0.4
197.16536	0.3
201.11311	1.8
205.12057	0.7
207.10048	4.1
209.08018	0.8
209.11888	1.9
209.67137	0.3
211.13432	11.6
215.10550	6.6
215.12405	0.4
219.10030	0.5
227.12927	0.5
231.09933	0.5
233.11613	18.9
233.13939	0.7
247.20700	0.5
249.22296	1.8
257.36484	0.3
259.09512	1.3
275.20209	1.9
291.19678	0.5
293.21255	26.5
294.21362	0.7
311.22324	100.0
312.22586	3.9
315.19443	5.0
322.95996	0.4
333.20551	9.0
333.24246	0.6
333.48682	0.4
377.19672	2.6
446.57388	0.3
500.59000	0.4
625.89471	0.3
645.43573	67.6
646.43616	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	646.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13103	0.6
58.02992	0.7
59.01152	0.8
59.01389	13.0
60.99315	0.8
61.98827	3.8
71.01378	8.1
73.02994	0.7
78.95893	3.2
79.57782	0.7
80.36172	0.8
83.05013	1.0
85.02959	3.2
87.14430	0.7
89.02431	4.2
93.60510	0.7
95.05035	0.9
98.04405	0.7
99.08134	3.2
101.02435	3.9
109.06643	1.2
110.09756	1.2
113.02452	4.0
119.03516	1.5
119.05079	1.2
120.17606	0.8
121.02941	0.8
125.98954	0.8
127.07614	3.2
128.10797	1.6
130.08727	100.0
134.03693	1.3
140.22534	1.0
146.06128	1.7
149.02521	0.9
151.75549	0.8
152.99614	1.6
160.01723	1.1
160.04004	3.2
161.02296	1.1
162.05630	8.8
165.09265	0.9
167.10886	1.0
175.04095	0.9
188.03561	3.2
190.02725	1.0
190.05144	1.2
193.05124	0.9
198.06998	0.8
205.05119	1.3
206.04684	1.8
209.78761	0.8
232.17139	4.7
242.19255	0.9
247.63776	0.9
252.19754	1.4
260.20145	3.2
278.17606	18.8
279.67624	0.8
304.19205	1.8
306.07867	1.3
314.15402	0.8
322.20242	32.9
323.13586	4.1
323.20560	0.8
340.21298	30.0
341.21802	1.2
455.16330	1.1
646.34698	67.1
647.35291	5.2
656.71368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87673	0.5
71.24627	0.5
99.92583	100.0
100.92586	0.8
101.42978	0.6
115.92077	10.3
116.92862	5.7
220.31882	0.6
232.07222	0.7
253.21397	0.7
281.24872	22.8
297.84787	0.7
346.16135	0.9
364.17178	20.3
365.17355	0.7
397.17014	2.3
546.69916	0.6
646.42804	69.1
647.42963	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	647.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
61.98830	2.6
64.49408	0.4
65.85768	0.4
71.01392	1.0
72.99310	1.2
74.92204	0.4
85.02963	0.7
88.04036	0.9
89.00334	1.2
91.01924	0.7
92.11855	0.6
93.03461	54.9
95.01384	2.0
96.96016	3.2
99.00837	0.5
101.02433	0.5
106.00610	1.1
110.03069	0.4
111.00854	0.8
113.02458	1.0
119.05017	0.6
121.02957	30.9
123.00874	11.0
130.06590	0.9
132.82623	0.5
137.02448	72.6
138.03264	7.1
146.06133	0.7
152.01100	0.9
153.01988	0.5
153.05579	24.6
161.02423	0.7
162.05647	0.8
163.04002	1.1
166.99844	12.1
167.03511	0.7
181.01480	0.6
182.02220	44.6
183.02719	0.9
188.03543	0.7
197.04575	100.0
206.04665	0.9
232.32100	0.5
287.15247	0.5
289.08466	0.8
413.10950	29.9
414.11459	0.7
449.34045	0.5
611.16162	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	647.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35684	1.1
58.03046	1.0
59.01374	1.1
60.92734	1.0
69.34292	1.1
81.48903	1.1
93.03458	1.6
96.23449	1.1
103.26119	1.3
105.23012	1.3
112.01520	1.2
119.05024	77.2
135.46463	1.2
145.02940	23.9
159.09273	33.0
162.05579	5.6
186.05618	2.1
237.09187	5.0
305.12970	100.0
306.13373	5.5
423.16815	2.1
447.08243	1.3
457.25922	1.3
544.17694	1.3
609.24493	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	647.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33822	0.4
59.01368	0.5
61.17696	0.4
61.98832	0.8
91.15051	0.5
107.05010	1.0
109.02969	0.7
119.05017	1.9
119.10336	0.4
121.02934	0.5
127.99610	0.5
132.02162	0.8
133.02988	2.8
134.03740	100.0
135.04538	28.1
137.02403	0.6
145.82721	0.5
147.03491	0.5
147.04497	4.6
148.05328	6.1
149.06087	54.1
150.06496	0.4
153.01964	0.7
159.86612	0.5
160.01691	2.9
160.03996	0.7
160.28278	0.5
161.02504	1.9
161.06073	1.0
162.03329	0.6
162.05591	0.9
162.06831	0.6
163.07611	0.6
175.02681	0.9
175.04041	3.0
175.07797	0.5
176.03502	2.0
176.04831	2.0
190.05161	3.0
191.07123	4.4
194.05750	0.6
204.06679	2.4
209.06081	0.7
210.06960	0.6
211.07640	1.1
221.06133	0.8
223.07605	0.5
224.08496	0.9
225.05681	1.8
226.06425	0.5
232.09747	0.7
235.07825	0.6
236.04691	0.7
236.11139	0.5
237.05573	2.3
238.06331	2.8
239.07211	0.7
247.10933	4.1
248.11674	0.8
249.05664	2.6
250.06375	2.6
251.07025	1.1
253.05136	0.7
253.08739	0.8
254.05841	1.8
261.12524	2.2
264.04297	0.5
265.05066	3.0
266.05786	1.8
267.03052	3.0
267.06650	1.0
269.08099	0.9
273.08853	1.9
274.09546	4.9
275.10544	0.6
277.05127	0.9
278.05786	1.0
279.06577	2.4
280.07245	0.7
281.04651	2.0
282.05353	13.8
283.06058	2.0
289.11948	10.1
291.06393	0.6
292.07333	1.8
293.08188	0.9
294.05176	0.9
294.08505	0.5
295.06198	1.0
296.06833	0.7
297.07693	21.2
297.11014	0.7
298.08371	2.4
309.07742	7.3
310.08188	0.6
311.09384	0.6
312.10095	22.4
313.10739	2.0
323.14114	0.6
324.10263	2.0
327.12418	18.9
339.12778	1.1
351.13452	0.6
357.13513	0.9
378.12485	1.0
390.12256	1.1
395.12891	0.6
396.13388	0.5
403.13245	0.6
405.14886	0.6
406.12720	2.1
407.16348	0.5
411.15842	0.5
421.14423	2.6
422.10541	1.3
423.15750	3.5
426.17810	0.7
431.12338	0.6
432.13092	0.6
433.14172	3.1
436.17529	0.7
437.13501	5.7
441.20682	0.6
449.13483	9.3
450.14560	1.0
451.15186	0.6
452.16034	2.9
464.16064	4.4
467.18301	5.8
479.18317	44.2
480.18637	3.5
481.19736	1.0
489.20575	0.6
556.18927	0.7
567.18268	0.7
572.18079	1.6
581.19238	0.7
583.20886	2.5
587.20410	2.8
597.21832	0.6
599.20477	6.6
602.22705	0.6
614.22821	5.3
617.25116	41.0
618.25525	3.7
629.25098	59.3
630.25177	5.7
647.26398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82742	0.8
55.01888	0.8
58.00608	1.1
59.01391	64.3
67.05141	0.8
71.01385	30.6
79.83028	0.7
83.01391	3.0
85.02957	6.8
87.00854	0.8
89.02438	41.1
91.18487	0.7
92.12420	0.8
95.01358	1.3
96.95979	3.7
101.01768	1.2
101.02428	21.9
113.02449	13.5
119.03484	18.5
145.86649	0.7
211.42833	1.0
251.69789	1.0
323.13489	100.0
516.28748	0.9
559.50372	0.8
559.63019	0.9
648.92871	0.9
653.45819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	8.7
60.60608	0.4
63.80856	0.4
64.34668	0.5
68.48880	0.5
70.02971	0.6
72.00905	1.1
74.02475	15.5
77.02684	0.4
81.04577	0.8
82.02967	2.5
84.04536	0.8
86.02467	6.3
86.06091	0.8
86.99094	0.7
87.05630	7.6
88.04034	0.8
90.00167	2.0
97.04050	1.0
99.05640	16.9
101.07195	3.8
102.05589	2.4
107.06125	0.8
108.04519	0.5
109.04064	3.2
109.07680	0.7
111.05640	0.7
112.04038	2.0
113.03539	0.9
116.01752	0.6
123.05630	2.1
124.04022	0.5
125.03559	2.0
126.01915	0.8
126.05523	0.5
126.87133	0.5
127.05141	3.8
128.03534	45.2
131.04591	0.6
135.05698	3.9
137.07182	0.8
139.57527	0.6
141.06737	5.3
143.04626	66.2
145.06177	3.1
146.04591	4.9
153.06705	4.2
160.00745	13.9
166.09807	2.6
167.04637	6.8
167.08238	0.8
170.03221	0.7
171.07744	1.1
177.03429	5.2
179.04619	11.4
181.06215	2.0
184.10887	0.8
185.05659	2.4
192.07727	0.7
197.05672	2.3
198.08858	0.8
199.07266	0.5
210.08868	12.5
228.09978	0.8
242.07904	1.1
254.07854	11.9
272.08884	13.4
288.06573	6.1
306.07687	100.0
307.07861	2.9
360.31067	0.5
555.81818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	7.4
61.98849	1.3
66.98222	0.9
67.58566	0.9
71.01385	4.3
77.99542	0.8
82.22632	1.0
85.02972	1.0
87.93970	0.8
89.02446	5.3
96.96016	8.6
96.97060	1.0
101.02443	2.1
113.02441	1.3
115.00383	1.2
116.92845	12.6
132.04515	12.2
137.02434	0.9
144.04556	17.8
145.02934	1.4
146.06154	1.2
147.03317	1.6
160.04037	49.4
160.05347	2.1
162.05609	85.5
163.06052	1.0
178.05089	12.4
188.03535	87.3
189.03883	2.0
195.86487	1.0
206.04604	39.7
248.05673	3.8
293.12347	4.9
306.07748	1.2
308.94370	1.1
325.84595	0.9
393.19296	1.1
486.16199	100.0
487.16745	1.9
553.15729	1.0
564.75024	1.2
648.21613	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	649.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10104	1.1
51.76871	1.4
52.25035	1.1
59.01385	11.6
59.60603	1.1
63.82130	1.2
74.02489	1.5
89.02451	2.7
90.96548	1.2
92.45280	1.4
96.95982	1.7
101.02430	1.4
108.97197	7.0
111.30939	1.4
116.05063	8.3
121.71111	1.4
130.06606	41.0
142.06587	1.8
154.97815	5.7
159.09219	2.0
200.98267	1.8
203.08252	6.1
213.03484	23.0
222.03397	1.8
259.04028	22.7
268.04022	16.2
278.29126	2.2
313.01175	1.5
314.04636	19.5
323.13489	3.6
324.13718	2.2
347.04581	1.8
374.68198	1.5
445.12027	100.0
446.12387	2.2
515.53949	1.6
533.97296	2.1
649.20874	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	649.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.2
61.98829	1.0
69.65550	0.4
71.01381	14.1
73.02947	0.5
78.52379	0.5
85.02931	0.8
87.04540	0.5
88.04032	95.0
89.02451	1.0
89.04355	1.0
93.03447	17.4
94.03786	1.0
96.95998	2.4
101.02440	0.7
113.02467	0.6
114.01952	3.0
115.00371	19.9
119.05015	0.5
121.02953	10.4
122.03281	0.7
123.00873	4.2
128.03500	0.7
130.06616	2.4
132.03017	54.9
133.02982	0.6
137.02437	21.7
138.03163	1.1
145.05037	0.8
146.06133	7.3
151.03983	0.6
152.01103	0.8
153.05569	7.3
154.05818	0.5
156.04550	10.4
160.01680	2.3
160.04068	0.6
161.02426	2.4
162.05614	3.8
162.77765	0.5
166.99806	3.6
167.03448	0.6
173.07193	13.6
174.05598	13.2
175.03995	4.4
182.02193	12.1
189.00452	0.5
193.05092	1.1
197.04567	29.0
198.04849	3.1
206.04599	2.5
245.07117	0.5
245.09328	4.9
271.07458	0.6
289.08310	100.0
289.16568	8.9
290.08588	3.0
328.66327	0.5
350.08624	0.5
359.17307	0.6
413.10947	8.0
414.11389	1.0
415.11661	0.7
418.42569	0.6
427.16205	3.0
488.12247	0.5
591.81769	0.5
611.16266	3.8
613.16669	0.7
650.17755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11321	0.5
54.84813	0.5
55.98662	0.5
58.00599	5.5
59.01387	0.7
60.41598	0.5
63.23548	0.5
65.69522	0.5
65.93595	0.6
84.46925	0.8
95.05012	4.0
96.22224	0.5
99.08141	27.0
127.07635	6.5
129.09203	62.8
130.09572	1.0
161.63991	0.6
181.12262	2.7
183.13884	58.3
193.08234	0.7
195.13890	3.0
203.06911	0.6
203.10559	1.4
209.11636	0.7
219.09929	0.7
221.11572	2.7
223.09541	0.5
223.13168	10.3
233.08023	1.0
235.09560	0.9
237.11165	1.4
264.13446	1.1
265.10764	0.8
267.12112	8.9
277.21725	3.0
278.11392	3.7
295.22797	10.9
299.19772	2.4
313.23859	100.0
314.24191	3.7
315.19388	1.1
315.24231	0.8
317.20975	9.7
318.59946	0.7
331.18961	2.9
333.20328	2.4
335.22061	67.9
336.22293	1.3
339.23398	0.6
367.19623	5.6
379.21017	1.0
441.55844	0.7
625.63989	0.6
649.46246	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	651.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.5
61.98828	3.0
68.13461	0.6
70.53539	0.6
71.01377	13.0
73.02951	5.2
83.01364	1.5
85.02952	9.4
88.61718	0.6
89.02422	1.4
91.01880	1.0
93.03431	3.7
95.01350	1.5
95.05000	2.9
96.95995	1.0
97.02943	1.0
99.00871	1.4
101.02450	10.5
106.04249	9.0
107.05022	39.8
108.02162	14.3
111.00877	0.8
113.02435	10.9
117.03448	13.6
118.03754	0.7
119.05008	5.9
121.02928	9.4
123.04507	46.6
125.02409	1.0
130.04216	2.6
131.05016	22.3
132.02145	3.2
133.02946	60.4
135.04576	4.8
143.04976	1.3
144.04520	0.9
145.02940	41.3
145.06583	0.7
146.03267	3.2
146.06133	2.9
147.03494	0.9
147.04491	7.4
149.02411	4.9
149.06049	7.5
151.03996	100.0
152.01143	18.3
152.04378	1.2
160.04030	3.7
161.02425	7.1
161.04555	4.7
161.06052	2.9
162.05577	5.1
163.03998	4.1
164.04732	3.3
165.05547	4.9
167.03479	25.5
173.06026	2.7
174.03117	4.0
175.03978	22.2
179.03473	1.0
187.03970	7.2
188.03497	3.3
190.02660	0.7
190.05084	0.9
192.04230	3.1
193.03397	1.1
193.05046	17.1
205.05052	3.6
206.04489	1.0
207.06656	2.8
217.05042	6.0
223.06137	3.1
231.93851	0.6
235.06039	8.8
253.07155	6.1
259.06049	1.2
277.07248	0.8
295.08218	31.5
296.08575	0.9
319.08109	0.7
337.09329	8.1
429.12018	5.6
443.11960	10.7
447.13004	20.7
471.13095	9.5
489.13916	3.5
501.13568	0.9
513.13916	5.1
531.15289	5.3
571.16858	1.1
588.17200	2.9
591.17255	43.1
591.26703	1.4
592.17542	1.3
613.17615	5.7
614.17688	0.9
615.18372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.7
58.00574	1.3
59.01155	1.5
59.01383	25.2
61.98545	2.3
61.98835	47.4
68.66624	1.4
69.03457	2.9
71.01385	33.5
73.02927	6.4
73.73994	1.3
81.03465	1.6
83.01373	1.5
83.05036	1.8
84.89437	1.3
85.02960	16.9
87.00876	3.3
89.02434	17.6
93.70999	1.4
95.01372	2.7
96.95964	1.7
97.02905	2.5
97.06557	1.9
97.66583	1.4
99.00857	8.4
99.04503	8.5
101.02450	13.2
105.52567	1.4
110.03706	1.6
111.04472	8.1
113.02436	20.1
125.02430	2.3
128.03481	2.8
134.03720	2.0
137.09645	1.9
146.06090	2.6
160.04013	4.8
161.04509	3.1
162.05620	10.4
170.08994	1.4
171.10268	34.4
177.09404	1.4
179.10822	2.7
185.11745	1.8
188.03453	2.5
191.10776	1.5
197.11807	3.2
205.05186	2.1
206.04707	2.1
211.13455	15.8
213.35027	1.5
221.11792	2.6
229.14400	16.6
239.12810	2.8
253.14159	1.9
291.19742	2.5
309.20862	1.9
327.21844	40.3
337.52969	1.6
344.39569	1.4
363.21692	1.7
471.25986	8.8
489.27362	3.1
651.32397	100.0
652.32336	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	652.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50697	0.5
52.13183	0.6
53.72799	0.5
56.83720	0.6
61.98833	100.0
96.79255	0.6
116.92858	1.5
116.97197	1.1
118.45619	0.6
118.94510	0.6
119.05015	1.2
121.02977	6.9
122.03290	0.8
134.03693	0.8
163.04071	0.7
193.05028	1.0
589.17480	1.1
594.13855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18143	0.6
58.02977	7.0
65.35749	0.7
66.03470	0.7
67.02978	0.6
67.88258	0.6
71.01360	0.7
74.02464	15.8
82.02977	1.0
86.02473	5.4
86.06090	1.0
86.99086	1.1
87.05612	4.3
90.00192	1.1
95.31921	0.6
97.04047	1.4
99.05634	15.9
101.07185	2.9
102.05574	1.4
109.04062	2.8
109.07702	0.9
112.04040	2.8
116.01778	1.1
123.05634	1.1
125.03549	3.1
127.05109	3.8
127.08767	0.7
128.03523	42.3
129.99759	0.7
135.05614	5.3
138.24162	0.6
141.06682	4.5
143.04620	59.0
145.06120	2.2
146.04613	3.8
153.06709	4.3
160.00725	12.7
161.08270	0.7
166.09894	1.6
167.04578	5.6
167.08289	1.2
177.03346	5.4
179.04611	12.6
181.06226	1.1
185.05717	3.3
192.07816	1.2
197.05730	1.1
210.08870	11.3
254.07817	9.7
272.08884	14.6
288.06503	5.7
306.07672	100.0
307.07971	1.5
329.23123	1.1
330.23648	1.0
331.23941	0.8
376.06964	0.7
549.28021	0.7
601.36719	0.7
652.32092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
70.50102	0.2
84.27120	0.2
116.92890	0.3
125.62731	0.2
164.14441	0.2
168.77054	0.2
243.05362	0.3
271.86603	0.3
433.35672	0.3
604.66846	0.3
643.07422	0.3
683.45471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
76.56834	0.3
88.98685	0.3
122.66348	0.3
156.04268	0.3
159.51555	0.3
168.30974	0.3
176.96712	0.3
178.35910	0.3
195.46727	0.3
249.48050	0.3
487.81097	0.4
577.16119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96799	1.0
53.35831	1.0
57.03444	7.4
59.01381	29.0
62.15967	1.2
65.00325	2.1
71.01379	46.7
72.99305	32.5
73.02932	3.2
75.00862	18.4
83.01381	7.7
85.02950	41.6
85.03468	1.6
87.00871	8.7
89.02442	11.3
95.01384	8.9
96.95996	2.2
98.77267	1.2
99.00878	17.2
101.02436	8.4
103.00370	11.4
107.01379	9.0
108.02174	8.1
111.00938	1.3
113.02447	52.7
115.00354	3.3
117.01894	1.9
119.04987	1.9
121.02972	1.9
123.04511	3.0
131.03490	2.7
133.01392	1.8
133.02928	9.5
134.03735	11.6
135.04536	13.6
137.02394	2.3
143.71997	1.4
149.06073	8.3
151.00383	28.5
152.01164	12.3
160.04071	1.9
161.02461	33.9
162.05626	7.2
164.01131	2.3
167.03487	13.5
175.02507	12.1
175.03963	2.7
179.03516	10.8
188.03566	1.9
193.03510	18.7
193.04922	1.5
197.04556	1.4
206.04591	1.7
221.04620	2.2
251.11302	1.5
289.05878	2.0
301.07132	22.9
310.04364	1.7
323.07779	16.0
333.04620	1.7
343.08325	2.7
351.05713	100.0
352.05997	2.3
438.58032	1.4
482.76593	1.6
491.11929	27.0
505.93066	1.3
550.69794	1.6
653.13318	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	653.1728
Annotation	Clemochinenoside B
Peak:m/z	Relative Intensity
51.52243	0.3
54.82849	0.3
56.35054	0.4
59.01375	2.0
61.98831	4.1
71.01389	3.3
72.53349	0.4
72.99294	0.5
73.02930	1.0
83.01367	0.5
85.02946	3.2
87.04865	0.4
92.12387	0.8
93.03442	0.9
95.01340	0.7
96.95989	0.7
99.00861	1.0
101.02409	2.4
108.02176	61.3
109.02958	13.8
113.02461	2.0
119.05008	0.7
120.28658	0.4
121.02956	4.8
130.74713	0.4
133.03000	0.5
134.03734	1.7
135.00836	0.9
135.04478	2.1
136.08469	0.5
137.02443	0.6
145.02922	0.7
145.53242	0.5
147.04466	1.6
149.01227	0.8
149.02441	22.7
150.03220	4.6
151.00372	0.4
151.04024	0.9
152.01155	100.0
153.01924	4.1
154.18307	0.5
160.01675	0.5
161.02464	0.9
161.04601	0.7
162.05588	2.0
163.04013	4.2
164.04796	15.1
165.05479	0.9
167.03511	1.8
175.00429	0.7
175.04022	0.7
176.01111	1.7
177.01941	0.6
179.03531	0.8
188.03462	0.6
190.02748	2.1
191.03516	1.7
194.02202	2.0
205.05103	2.6
206.04628	0.7
209.04538	6.3
216.78856	0.5
223.06123	6.8
225.65602	0.4
248.38582	0.4
315.07217	1.6
429.10516	6.9
447.11496	20.7
448.11575	0.7
653.17346	52.1
654.17896	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	653.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41884	0.1
54.82529	0.2
56.70044	0.2
62.74230	0.2
62.96398	0.2
70.30013	0.2
78.95896	100.0
96.96937	0.3
98.45534	0.2
149.00075	7.0
179.01164	0.4
205.15993	3.7
209.08261	0.2
209.48318	0.2
233.39680	0.2
285.12637	4.6
355.16803	3.6
385.17969	1.8
417.12421	0.4
447.13434	7.3
653.30212	50.8
654.30487	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	653.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39243	0.1
52.92372	0.1
60.00832	0.1
62.33712	0.1
62.96393	0.2
67.49432	0.1
73.36778	0.1
78.95900	100.0
82.59123	0.1
102.55508	0.1
105.04898	0.1
108.82896	0.1
117.65185	0.1
121.18787	0.2
149.00085	6.9
179.01158	0.7
179.22714	0.1
205.15990	3.3
215.68819	0.1
285.12625	5.5
288.72128	0.1
337.87997	0.2
347.07990	0.2
355.16812	3.4
379.13934	0.2
385.17807	1.6
417.12445	0.6
447.08456	0.1
447.13455	8.2
653.30237	48.5
654.30603	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	653.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13528	0.4
55.01875	0.7
57.03443	2.5
58.00586	2.8
59.01384	23.6
60.28867	0.4
66.45852	0.5
69.03441	2.5
71.00988	1.0
71.01379	25.8
72.99284	1.2
73.02932	7.3
77.49416	0.6
81.03449	1.0
83.01372	2.2
83.05003	2.9
84.67783	0.4
85.02949	8.0
87.00865	1.0
89.02437	13.1
93.03409	0.8
95.01364	2.9
97.02956	3.8
97.06558	0.7
97.98658	0.6
99.00871	0.9
99.04496	10.7
99.08144	4.9
101.02424	10.8
105.01899	0.8
110.03711	1.2
111.04490	2.4
113.02436	13.7
119.03463	1.2
124.01646	2.1
125.02433	8.9
125.09687	1.3
127.11266	2.6
127.87463	0.6
131.27907	0.5
139.11292	2.4
142.02684	1.2
151.11346	0.7
153.12804	2.1
155.14383	0.6
160.03807	0.9
161.04581	0.6
163.11270	1.2
167.14424	0.8
171.10262	32.1
181.12343	13.1
183.13873	5.8
193.12268	1.9
199.13350	5.4
205.87703	0.5
209.11771	1.1
211.13402	35.2
229.14430	28.2
235.13364	3.1
253.14438	3.4
257.75003	0.7
293.21216	2.9
311.22348	3.4
329.23340	88.1
339.11142	0.6
358.96365	0.7
361.75461	0.6
371.24326	2.4
401.25232	3.9
403.11725	0.7
416.02328	0.6
431.26590	6.2
473.27567	3.0
491.28653	11.5
653.33948	100.0
654.33923	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	653.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33814	0.7
52.35013	0.9
53.30661	0.8
71.31882	1.0
76.31695	1.0
77.61704	1.1
80.80386	1.0
100.35336	1.2
151.96857	1.0
160.01668	2.2
169.14609	1.2
175.03995	1.1
456.75803	1.3
536.18231	1.4
653.44312	100.0
654.44690	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	654.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31916	0.2
52.77647	0.2
59.01384	0.2
61.98833	100.0
66.22528	0.2
69.71084	0.2
71.01382	0.3
79.69213	0.2
88.98825	0.2
91.96677	0.2
92.11890	1.6
100.36149	0.2
114.38690	0.3
128.03488	0.2
133.02936	0.2
134.03740	0.3
134.04697	0.2
137.85860	0.2
141.61935	0.2
144.04593	0.3
144.72165	0.2
145.02986	0.4
154.56361	0.2
160.01648	0.3
160.04044	0.9
161.02440	0.2
162.05592	2.5
163.05957	0.3
163.23285	0.2
188.03574	1.2
190.04964	0.2
202.97261	0.2
206.04703	0.8
237.74557	0.2
257.72556	0.2
300.50211	0.2
359.23660	0.2
416.18567	0.2
467.03009	0.2
507.27185	0.2
625.28558	0.2
668.88837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61470	0.2
54.58485	0.2
61.98836	100.0
87.38187	0.2
97.48022	0.2
109.47884	0.2
111.36915	0.2
118.15393	0.2
126.57425	0.2
128.79474	0.2
149.35751	0.2
278.33835	0.2
435.82645	0.2
547.77570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37927	0.1
54.39111	0.1
59.01382	0.4
61.98833	100.0
75.87995	0.1
93.91961	0.2
128.10718	0.2
214.41794	0.2
277.18433	0.2
295.26407	0.2
516.24139	0.2
655.42358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02444	0.3
61.98838	100.0
63.01227	0.3
63.34262	0.3
76.13464	0.3
82.45743	0.3
92.12263	0.4
92.25179	0.3
116.92867	0.7
236.07738	0.3
259.04843	0.3
269.24768	2.0
270.25412	0.4
295.26373	3.8
296.26904	1.9
494.08704	0.3
499.59442	0.3
516.91724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	2.7
58.00597	5.5
59.01384	100.0
62.20254	2.8
66.99194	3.2
69.03480	4.1
71.01385	89.5
72.41360	2.7
72.99290	3.4
73.02950	21.8
77.24963	2.6
82.96521	2.7
83.01414	5.7
85.02933	24.4
87.00874	15.9
89.02444	74.0
95.01450	3.9
95.54015	2.7
96.96017	6.7
97.02951	4.3
97.11434	2.7
99.00887	4.2
101.02435	71.4
111.00871	5.7
113.02441	38.1
119.03493	26.5
122.34386	3.2
124.89037	2.8
125.02407	43.1
126.69777	3.2
129.12808	2.6
131.03581	6.9
137.99561	3.8
139.00337	26.0
143.03481	3.3
152.01198	6.7
153.01920	34.8
154.02708	22.3
161.04611	23.9
167.03526	5.5
168.04303	6.0
179.05598	58.3
202.61638	3.7
221.06665	25.5
366.16653	3.1
383.11819	12.3
393.46194	3.5
428.82123	4.3
485.15152	4.9
655.21082	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27535	0.4
57.03431	0.4
58.00587	1.9
58.82320	0.4
59.01395	0.5
65.07471	0.4
72.05373	0.5
83.05015	0.7
99.08132	0.5
121.10185	1.1
125.09698	4.5
127.11282	8.4
137.09698	1.9
139.11287	9.7
153.09218	0.9
154.09959	0.6
155.10764	3.0
157.12201	0.5
165.09184	2.5
171.10266	29.2
177.12923	0.9
183.10315	0.9
185.11870	0.5
189.11855	0.5
193.12206	0.5
195.13843	0.8
199.09747	2.7
201.11340	50.2
211.13423	0.8
249.22163	2.0
275.20175	5.9
293.21249	36.6
294.21573	1.8
306.93634	0.5
311.22284	48.3
312.22626	2.2
334.23782	0.6
335.46262	0.6
343.24902	100.0
344.25021	3.6
351.12192	0.6
540.82208	0.5
557.34131	0.5
655.32831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01912	0.2
55.73831	0.3
59.92246	0.2
63.09407	0.3
71.47413	0.3
79.00864	0.3
92.12428	0.6
94.34250	0.3
117.38038	0.3
125.67327	0.3
145.34518	0.3
172.09872	0.3
185.60722	0.3
212.59805	0.3
223.03290	0.3
301.21747	100.0
302.22046	3.5
311.22311	0.3
327.21152	0.3
341.48004	0.3
527.02899	0.3
596.71136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66410	0.1
52.66171	0.1
55.01859	0.6
58.21476	0.2
61.98830	2.1
62.48738	0.1
63.07837	0.1
72.99311	0.2
85.16889	0.1
92.11749	0.2
114.39085	0.2
130.06622	0.2
146.08386	0.2
251.23979	0.2
253.25420	1.0
258.49280	0.2
277.25439	0.6
279.26938	4.2
281.28503	52.2
282.28848	1.5
303.01639	0.2
309.27908	1.2
327.29080	100.0
328.29395	3.0
415.15121	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39859	0.7
54.82726	0.7
61.98837	100.0
76.38586	0.7
91.55962	0.9
110.69015	0.9
116.61774	0.9
171.82690	0.8
175.39749	0.8
194.68217	0.8
300.19431	0.8
316.23532	0.8
348.51218	0.9
377.27548	0.9
531.87836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78992	0.3
61.98833	100.0
284.26077	0.4
475.24088	0.5
593.63690	0.4
617.89685	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	657.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51060	2.5
59.01377	4.1
60.92139	2.0
61.98816	4.7
68.99792	4.7
70.41719	2.1
71.01357	3.4
73.14189	2.2
76.85903	2.3
92.12402	4.6
95.01360	5.1
109.02917	3.2
111.00903	3.0
113.69180	2.5
119.04974	3.6
121.02914	3.6
123.00828	19.1
125.02399	11.0
128.03572	4.7
134.03712	3.5
135.04553	3.7
136.23535	2.8
137.02414	23.3
137.88765	2.3
138.03218	27.9
139.00346	15.6
139.03998	9.5
145.02925	4.2
147.04420	4.5
149.02440	9.6
151.00313	4.9
153.01929	27.1
153.05557	32.5
153.06621	4.0
155.03302	2.5
159.04503	4.8
160.01685	4.8
161.02467	4.6
162.03217	11.8
162.05571	5.8
163.03972	3.4
165.01874	5.8
166.02658	36.7
168.04262	12.3
174.03215	4.9
175.00259	4.5
175.03993	9.8
176.01132	16.9
177.01936	20.3
177.05547	19.4
178.02687	13.5
181.04921	33.2
190.02652	6.0
191.03444	30.6
192.04277	62.4
193.01396	16.7
193.05057	14.4
194.02200	9.8
203.03391	18.8
204.04251	4.7
205.05003	6.0
207.06615	64.5
208.03792	24.4
209.04501	15.8
218.05824	23.0
221.04688	4.3
223.06134	38.7
233.08287	5.9
234.05406	2.7
236.06889	4.3
238.08052	3.1
249.07741	9.1
250.08273	3.0
251.09045	5.0
310.03879	2.7
319.22705	20.7
328.05765	36.5
329.06015	12.1
343.08160	3.5
357.09866	10.6
372.12259	5.9
373.13055	5.4
387.10974	4.8
403.09561	2.8
405.11816	11.1
417.11865	13.2
418.12784	19.0
432.14291	85.1
433.14914	13.8
433.21353	2.3
627.20648	3.7
657.21863	100.0
657.30713	4.9
658.22565	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	657.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15505	3.1
51.98338	3.5
53.72654	3.5
54.82308	3.6
59.01354	4.0
64.30461	4.9
68.99809	6.9
85.02954	4.6
95.01360	5.7
109.02963	6.7
121.02920	5.5
123.00854	20.2
124.01587	4.7
125.02426	13.6
128.03511	8.7
132.63499	4.2
137.02432	9.7
138.03197	36.7
139.03947	7.3
147.04459	16.1
150.01692	6.4
151.00354	22.8
152.01100	5.5
153.01918	19.2
153.05569	48.2
160.01727	6.2
162.05557	5.2
163.00346	6.2
165.01929	22.1
166.02696	64.3
168.04276	6.4
175.00339	19.2
175.04001	21.4
176.01132	26.8
177.01912	30.2
178.02713	17.8
181.04948	100.0
191.03499	31.5
192.04268	68.4
193.01399	43.7
193.05049	18.5
194.02129	7.4
203.03482	72.5
205.04970	7.5
207.06593	61.6
208.03743	45.9
209.04611	8.6
218.05798	80.5
223.06117	88.7
233.08144	65.4
242.72978	5.1
283.43011	4.5
294.07156	7.4
328.05847	65.2
329.05966	22.7
373.12607	5.9
375.11200	4.7
405.11844	61.3
417.11282	5.0
418.12796	9.5
432.14185	27.8
611.38995	4.5
639.20953	46.5
657.21643	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03449	0.9
57.45118	0.4
58.00589	4.0
59.01387	100.0
60.06830	0.5
61.98825	2.8
71.01382	49.5
72.99324	4.6
73.02922	1.2
74.13916	0.5
83.01373	1.0
83.77088	0.5
85.02947	12.9
87.00874	2.1
89.02440	67.2
95.01385	5.6
96.95998	2.6
98.95575	0.8
101.02439	23.4
113.02444	18.4
119.03489	23.1
119.04952	1.4
123.19952	0.6
131.03513	1.2
136.80975	0.6
143.03430	2.4
146.06102	0.8
149.04535	2.4
160.04004	1.1
161.02470	1.0
161.04575	4.3
162.05592	3.8
163.06035	0.6
165.01999	0.7
179.03419	1.3
179.05606	23.0
180.04178	0.9
188.03545	0.8
192.04178	0.7
195.06593	1.1
201.27820	0.7
206.04747	1.9
219.06589	0.9
594.08636	0.7
657.26031	0.9
686.62115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79783	0.5
55.01874	1.4
57.03438	3.8
59.01118	0.9
59.01385	20.3
61.98825	1.2
69.03440	0.9
71.01379	27.8
72.99285	3.8
74.08767	0.6
75.00454	1.0
75.00864	23.7
75.63091	0.7
79.74967	0.6
83.01379	2.4
84.89399	0.6
85.02947	30.0
87.00878	7.6
89.02434	10.3
91.32869	0.6
92.49604	0.6
95.01363	3.6
97.02956	1.4
99.00867	7.3
101.02431	10.4
108.10577	0.6
111.00850	0.8
113.02448	30.3
115.00361	2.4
117.01930	1.0
119.03481	3.6
129.01982	0.9
131.03503	1.2
135.45268	0.6
145.61232	0.7
150.96123	0.6
157.01367	1.0
174.60704	0.7
175.02466	2.6
179.47847	0.6
220.65137	0.6
317.21454	0.8
318.21774	1.1
319.22116	2.8
330.23553	1.0
331.23856	0.7
332.24606	0.7
404.07944	0.7
623.83948	0.9
645.76093	0.7
657.31299	100.0
658.31311	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	658.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98830	0.6
65.85934	0.4
78.95902	1.1
116.35477	0.4
141.01694	37.5
153.78455	0.4
209.86191	0.5
245.07010	0.5
245.09592	0.5
253.11603	0.5
277.21805	2.5
281.42386	0.5
284.87125	0.5
306.12186	0.5
464.22424	0.5
484.92474	0.5
502.29755	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	659.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22465	0.6
59.01381	11.0
92.11819	1.0
99.87641	0.6
102.84046	0.6
110.25095	0.6
137.52115	0.7
149.56239	0.7
227.20131	1.0
233.22830	0.7
253.21840	1.0
258.36475	0.7
277.21729	100.0
278.21976	1.3
281.24820	4.4
359.22079	36.4
379.20822	0.6
455.81516	0.7
577.42426	42.4
578.68842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
67.10738	1.2
69.75658	1.2
78.95900	1.8
79.28864	1.4
110.98570	1.9
139.11298	2.7
155.10811	1.4
167.10828	2.9
171.10284	9.5
172.09865	1.5
201.11351	6.8
227.20226	13.2
265.21890	2.4
273.37985	1.7
281.24841	22.9
293.21222	10.6
305.21225	2.3
311.22330	100.0
329.23367	17.5
395.22321	1.8
623.45593	35.4
659.46490	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50769	0.1
53.44532	0.1
53.58974	0.1
54.48323	0.1
54.68274	0.1
54.69825	0.1
56.63206	0.1
58.00601	1.5
59.01387	3.9
71.01384	0.1
72.99293	0.6
83.05049	0.2
91.36001	0.1
97.06578	0.2
99.08149	5.3
113.09731	0.7
127.07669	0.9
129.09216	5.5
131.30035	0.1
141.32401	0.1
149.13318	0.2
153.12877	0.2
155.14404	0.2
167.10754	0.3
167.14383	0.3
169.10843	0.3
169.12326	7.7
181.12337	4.2
183.13892	1.5
193.12387	2.2
197.11809	1.7
199.13408	17.5
209.11874	0.3
211.13420	11.4
227.12949	1.6
229.14557	0.8
231.21248	0.3
248.77504	0.2
266.35361	0.2
273.24805	0.1
275.20132	1.4
293.21271	3.0
309.20679	0.2
311.22375	3.1
312.22519	0.2
329.23373	100.0
330.23718	2.8
415.59683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17517	0.4
55.01880	0.4
57.03445	0.5
58.00593	1.0
58.97416	0.4
59.01384	65.3
66.22628	0.3
71.01381	33.5
72.99294	1.9
73.02934	0.7
83.01381	2.4
85.02950	8.0
87.00813	0.5
87.30350	0.4
89.02438	41.2
93.05265	0.4
95.01365	2.1
96.96010	0.7
99.00859	0.4
99.08167	0.8
101.02435	22.7
104.58825	0.4
113.02444	15.2
119.02670	0.8
119.03494	19.7
130.06606	0.5
131.03517	1.7
132.45537	0.5
138.79556	0.5
143.03519	1.0
149.04570	0.6
161.04572	1.0
179.05673	0.8
212.26324	0.4
242.11794	0.4
251.11345	0.6
323.13495	100.0
324.13821	2.2
486.64069	0.5
553.79810	0.5
615.70776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
77.03974	1.9
89.03985	0.5
91.05489	0.4
93.03463	0.5
95.05024	4.2
96.44997	0.3
104.35606	0.3
104.73325	0.3
105.03456	12.8
107.05022	0.6
108.12746	0.4
117.95134	0.3
119.05022	2.1
119.82253	0.3
120.02180	0.4
121.02945	59.0
122.03217	0.5
122.33887	0.3
123.04527	2.4
124.01646	1.3
133.02946	100.0
134.03828	3.2
135.04535	5.0
136.01717	0.3
137.02444	0.7
139.03995	1.3
145.02992	0.5
150.03204	7.9
160.04080	0.5
161.02444	0.4
162.05640	0.7
163.04036	0.8
164.04353	0.4
165.05562	0.6
177.01923	5.3
178.02754	0.7
179.03496	0.7
188.03574	0.5
206.04633	0.5
207.02950	0.7
208.03374	0.4
209.04565	67.6
209.08069	1.7
210.04857	0.6
256.36853	0.4
418.06686	0.4
447.70074	0.4
451.32657	1.2
568.97601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.3
59.01387	4.3
64.34600	0.2
71.01384	1.7
73.51818	0.2
78.87564	0.2
85.02950	0.3
85.06580	1.2
89.02451	2.6
100.00414	1.7
101.02445	2.1
113.02431	1.0
119.03501	0.7
119.05027	1.0
120.04539	1.2
127.07629	0.2
131.07130	7.3
134.06105	1.6
144.03027	0.4
144.04546	1.4
147.03275	4.2
148.06261	1.0
160.04031	13.4
162.05600	100.0
163.05923	0.5
176.03522	0.4
178.05087	0.2
188.03529	7.7
206.04593	68.1
207.04965	0.9
228.55939	0.2
257.38043	0.2
293.12509	7.8
319.66983	0.2
368.09863	51.1
369.10229	0.8
484.49182	0.2
529.02887	0.2
662.20331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07075	0.1
52.65199	0.1
54.15108	0.1
59.01377	0.2
60.94483	0.1
65.90700	0.1
66.03352	0.1
71.01383	0.2
74.78774	0.1
79.87462	0.1
93.03448	0.3
113.82774	0.1
117.03466	0.7
119.05014	100.0
120.05337	1.3
131.32085	0.1
144.04558	0.7
145.02957	3.6
146.06093	0.2
159.08136	0.2
160.04034	0.3
162.05630	0.9
215.11993	0.2
216.10291	4.7
233.12949	1.9
259.10876	28.8
260.11090	0.7
276.27585	0.2
282.11374	0.4
329.83179	0.2
379.16656	32.3
380.16901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79987	0.7
54.32528	0.7
59.01392	1.0
68.99812	4.5
75.81343	1.0
78.06695	1.0
95.01344	2.4
96.95969	1.2
105.73935	1.1
109.03022	1.2
112.11212	1.0
119.05002	1.8
121.02932	2.5
123.00854	20.3
124.01585	1.8
125.02423	6.4
133.02936	5.0
134.03709	100.0
135.04526	27.2
137.02417	3.9
138.03204	31.9
139.00359	2.3
139.04045	1.7
144.04485	1.3
146.06175	1.6
147.00920	2.0
147.04482	1.9
148.05260	1.5
149.02438	1.5
149.06061	54.4
153.01933	1.4
153.05551	25.1
160.01663	5.0
160.03981	1.2
161.02431	4.0
161.06013	1.5
162.05658	4.0
165.01933	8.0
168.04265	2.0
175.00369	8.8
175.03992	4.9
176.01126	8.5
176.03410	1.5
177.01833	7.5
178.02676	2.2
179.03471	1.4
180.04205	1.6
190.02725	3.9
190.05083	2.4
191.03459	5.3
192.04272	7.7
193.01404	18.8
193.04990	2.5
204.06583	4.9
205.05241	1.3
207.06621	8.3
208.03777	25.6
209.04317	1.1
223.06071	18.3
230.08151	1.5
247.10942	8.8
248.11644	2.0
263.13892	1.4
273.08780	6.0
274.09589	20.4
275.10223	1.2
289.11902	24.2
293.16528	1.2
328.09503	1.8
329.11163	5.3
343.11887	5.9
363.77814	1.1
425.16837	1.2
439.18689	13.1
465.12698	1.5
479.17966	1.9
483.17603	4.3
491.18253	6.0
495.17752	13.0
513.18640	1.8
633.24457	22.9
645.24609	39.7
646.25464	1.8
657.67365	1.2
663.25641	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	663.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03448	1.0
58.00598	3.0
59.01385	59.9
69.03443	0.5
71.01381	38.9
72.99279	2.7
73.02934	3.0
75.84186	0.4
83.01392	3.4
85.02943	8.0
87.00873	5.8
89.02438	48.7
90.43646	0.4
92.61318	0.4
95.01358	2.7
97.02914	0.5
99.00888	0.7
101.02431	17.9
107.29375	0.4
111.00864	0.6
113.02439	18.1
119.03488	16.0
125.02425	0.7
129.01974	0.6
131.03491	1.6
143.03505	3.7
149.04547	1.7
161.04532	3.8
177.58237	0.5
179.05629	12.1
235.17166	0.6
274.25693	0.4
275.20255	0.8
279.23306	100.0
280.23581	4.1
284.08557	0.5
293.21310	3.1
293.24896	4.1
293.27762	0.5
321.24368	2.5
323.09854	15.6
341.10928	33.7
342.11505	1.0
603.33875	15.2
604.34357	0.7
618.33228	0.5
666.23303	0.6
680.67426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	3.9
59.01376	2.4
61.07874	0.4
68.75951	0.5
78.95892	2.6
88.20558	0.5
92.11694	0.7
101.21945	0.6
113.09721	18.0
116.03004	0.6
121.10210	2.5
135.11676	0.6
139.11301	2.3
149.09805	0.6
150.53337	0.5
152.99615	1.2
162.26222	0.6
167.10759	1.2
171.10237	2.6
177.12932	0.8
179.10770	2.4
195.13916	2.6
245.30614	0.6
249.22261	1.1
275.20236	5.4
293.21271	100.0
294.21494	4.6
491.05191	0.6
524.05621	0.6
530.78082	0.6
537.65021	0.7
581.29901	0.7
621.37341	0.6
681.34357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.5
59.68344	0.5
60.08223	0.5
61.98832	3.1
78.95900	4.2
101.96299	0.6
121.10232	23.6
125.09684	0.6
127.11353	0.8
129.49767	0.5
141.85182	0.7
144.76346	0.5
152.99586	2.6
171.10274	45.3
172.10599	0.8
177.16498	0.7
183.13904	2.2
185.11885	2.4
200.34294	0.6
231.21220	4.7
275.20197	91.7
276.20526	3.6
279.23312	0.6
293.21259	100.0
294.21570	2.9
346.51895	0.6
350.08890	0.6
546.11761	0.6
549.52490	0.6
627.22894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06923	0.1
58.08440	0.1
59.01386	1.6
61.98837	100.0
65.94739	0.2
71.01383	0.7
73.02958	0.3
80.70200	0.2
85.02987	0.3
87.00906	0.3
89.02450	0.8
89.20849	0.1
93.03448	0.3
94.22726	0.1
96.96046	0.3
101.02461	0.4
110.39297	0.1
113.02480	0.3
119.05054	0.4
122.02454	0.2
128.03532	0.2
130.08740	0.7
132.02187	1.5
134.03752	1.0
137.02493	0.6
143.04660	0.2
147.03456	0.2
149.06102	0.2
153.01941	0.2
160.01669	7.4
160.03914	0.3
161.02254	0.2
162.05670	1.0
175.04008	8.7
176.04442	0.3
188.03633	0.4
190.02719	0.2
193.05095	0.2
206.04655	0.4
253.68495	0.2
261.99643	0.2
268.53506	0.2
306.07758	0.3
341.11005	0.3
601.17810	3.1
664.32465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98839	0.2
71.01362	0.3
78.00847	0.1
85.02927	0.2
91.32202	0.2
93.03412	0.2
107.05014	1.1
119.05034	1.7
120.04562	1.4
123.04450	0.2
132.02173	0.7
132.04549	1.1
133.02931	0.3
134.02527	0.2
134.06117	1.9
144.04553	2.9
147.03279	5.2
151.04016	0.4
159.03134	0.2
160.04050	14.7
160.27904	0.2
161.02402	0.2
161.04651	0.2
162.05618	100.0
163.05919	0.8
167.03494	0.3
174.05597	0.2
175.02698	0.2
176.03534	0.2
178.05090	0.8
186.05644	0.3
188.03545	11.8
190.05092	0.2
202.05081	0.3
204.06660	0.7
206.04611	51.6
207.04929	0.7
230.04500	0.4
248.05629	0.7
253.61545	0.2
290.06723	0.6
301.93109	0.2
347.98331	0.2
350.08783	1.2
354.32538	0.2
368.09943	1.9
368.93768	0.2
458.14560	0.8
490.86469	0.2
499.04776	0.2
502.13629	7.2
664.18909	17.9
665.19513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
59.51648	0.1
61.98803	0.2
71.01363	0.6
74.02496	0.2
85.02965	0.2
93.03455	0.2
107.04993	0.3
108.02100	0.2
108.04573	0.2
109.67451	0.1
113.02396	0.1
119.05019	1.3
120.04538	2.0
122.38564	0.2
123.04490	0.2
128.03545	0.2
132.02141	0.7
132.04552	0.7
133.03012	0.3
134.06146	1.9
143.23924	0.1
144.04552	2.3
145.02965	0.2
146.06122	0.3
147.03265	5.0
147.04414	0.2
151.03958	0.3
152.01192	0.6
160.04047	12.6
161.02452	0.5
161.04726	0.1
162.05614	100.0
163.05960	1.0
167.03513	1.0
176.03494	0.6
178.05130	0.2
179.02150	0.2
188.03535	7.5
190.05057	0.3
206.04607	55.3
207.04987	0.6
209.04494	0.1
248.05611	0.2
252.08409	0.2
288.33701	0.1
311.15469	0.1
334.09351	0.5
368.09851	1.9
398.99780	0.1
491.26462	0.2
502.13583	5.3
664.18958	18.4
665.18652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25879	2.6
58.93672	2.6
59.01387	24.5
61.98831	5.2
71.01385	6.8
71.94004	3.2
72.99303	7.4
85.02934	5.4
92.12404	3.2
93.03451	14.0
99.00861	3.7
101.02441	3.9
113.02460	3.3
119.05006	6.2
121.02949	5.3
121.06573	4.2
134.03728	17.0
135.04504	4.8
146.06087	3.6
147.04515	6.0
149.02446	78.7
160.01688	19.3
160.04048	14.8
161.02409	5.3
162.05637	27.9
163.03957	5.3
164.04787	41.9
165.05573	100.0
171.30029	3.3
175.00406	5.5
175.04034	17.4
179.07155	7.5
180.74777	3.1
188.03519	5.0
189.10225	3.2
190.02705	30.7
193.01450	14.2
205.05081	29.4
206.04572	6.8
208.03790	24.6
223.06140	83.8
238.13055	3.1
271.32642	2.9
364.27304	3.3
441.14240	13.6
459.15231	52.6
503.15210	13.3
665.20929	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
58.00578	0.8
59.01383	62.3
60.99294	0.7
71.01381	28.1
72.99301	0.8
73.02928	0.8
78.95887	2.8
78.99966	0.6
83.01414	1.0
83.55688	0.6
85.02956	6.9
88.98811	7.2
89.02443	44.2
95.01350	2.8
96.96009	6.2
96.96963	1.4
98.95557	1.5
101.02431	26.0
113.01717	1.0
113.02442	15.6
119.03487	18.0
131.03506	0.9
134.04643	1.2
149.01239	0.7
150.04169	1.3
161.04527	3.7
292.18008	0.7
323.13480	100.0
324.13757	3.2
356.90326	0.7
505.19705	0.8
646.19843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68411	0.2
55.01888	0.6
57.03460	0.6
58.00610	0.7
59.01387	60.1
60.56663	0.3
71.01386	27.9
72.01694	0.3
72.99312	1.7
73.02969	0.5
73.81035	0.3
78.95934	0.5
83.01395	1.7
85.02962	5.6
85.17006	0.3
87.00889	0.5
89.02443	36.9
92.65424	0.3
95.01379	2.8
96.96938	0.4
97.27943	0.4
99.00879	0.5
99.08116	0.4
101.02438	22.8
109.01575	0.3
111.00871	0.5
113.02441	13.6
119.03487	16.3
119.04348	0.6
131.03477	1.4
143.03516	1.4
149.04550	0.4
150.93237	0.3
160.06114	0.3
161.04616	1.2
161.08174	0.5
179.05603	1.6
233.13715	0.3
237.09740	0.4
266.72510	0.3
315.22849	0.3
315.91400	0.3
323.13477	100.0
324.13937	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	665.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40863	1.1
53.80872	1.1
59.01374	5.4
59.77881	1.2
71.01376	2.0
85.02898	1.9
96.96024	1.8
108.02170	2.8
109.02927	6.6
113.02489	1.4
119.05003	2.3
123.04536	3.4
131.87959	1.7
133.02930	2.0
134.03734	100.0
135.04532	25.3
136.01668	26.3
137.02422	2.4
139.04025	2.3
144.04523	2.5
145.02960	2.7
146.06129	3.0
149.06076	50.9
151.00363	6.3
151.04016	22.5
153.05536	1.7
160.01654	6.5
160.04060	4.9
160.05269	2.8
161.02434	6.2
162.05600	14.1
162.06757	1.7
163.04021	2.6
165.01933	1.5
166.02727	6.1
173.02408	1.9
174.03271	2.4
175.04001	8.4
176.04854	1.9
178.06305	3.0
179.91492	1.5
181.05095	8.4
188.03546	5.7
190.05081	5.3
204.06841	2.3
206.04645	3.5
230.08424	2.2
253.05031	2.5
254.05846	2.4
257.04572	2.5
269.08267	2.1
272.06830	2.6
273.08771	6.7
274.09634	23.6
275.10480	2.6
279.06723	2.5
282.05359	26.6
283.06046	1.6
287.09344	9.6
289.11954	29.4
297.07660	32.8
312.10098	34.1
324.05023	1.6
327.12399	35.3
333.14713	3.2
357.14221	1.9
359.16379	2.3
369.08441	2.2
437.13126	1.8
441.16858	2.0
449.11926	1.7
467.14798	8.6
481.19821	13.8
482.17050	2.0
483.21445	11.5
485.19312	2.5
493.19730	2.0
497.19516	22.4
617.25311	19.7
629.25128	3.0
635.25934	5.9
647.26257	23.8
665.27362	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	665.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88018	0.6
59.01370	0.6
64.34277	0.6
67.09224	0.6
71.01383	0.6
73.41875	0.6
101.67174	0.7
107.63202	0.6
116.19215	0.7
119.05015	1.0
133.02948	6.9
134.03737	100.0
135.04521	30.9
137.02440	13.7
147.04507	0.7
148.05307	1.5
149.06085	53.4
160.01689	2.9
160.04033	1.5
161.02472	3.3
161.06134	2.6
162.05611	5.4
164.01167	1.1
165.01930	97.6
166.02571	1.4
175.02567	1.2
175.04005	1.7
176.03491	2.9
179.03522	14.4
180.04292	48.1
181.04999	1.0
190.05092	3.4
194.05852	1.6
195.03003	3.2
195.06628	40.6
204.06688	5.3
206.04591	1.1
210.05391	11.0
211.05855	0.9
214.64619	0.7
223.06082	0.9
224.93684	0.6
225.07703	19.3
230.08202	1.6
231.09023	2.5
247.10936	7.0
248.11629	2.5
263.14108	2.6
273.08881	9.3
274.09637	34.1
275.10257	2.8
289.11975	40.2
290.12451	1.0
317.00986	0.7
392.01437	0.8
438.18024	1.5
439.18817	59.9
440.19141	3.4
453.20203	0.9
453.67099	0.7
467.18192	1.4
493.19644	3.2
497.02954	0.8
497.19131	1.2
563.99750	0.8
617.25372	5.7
629.24860	0.8
664.34277	0.9
665.27332	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	665.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.3
59.01395	53.4
71.01392	38.1
72.99311	1.2
73.02921	1.7
83.01370	3.3
85.02950	6.7
87.00874	6.8
89.02444	41.7
92.65659	0.7
95.01371	0.9
97.02930	0.8
101.02438	14.9
113.02442	15.7
116.92889	1.4
119.03487	13.8
141.01935	0.9
143.03503	3.1
146.89130	0.8
156.47665	0.9
157.99733	0.8
161.04578	4.6
179.05608	10.7
190.78195	0.8
220.87253	0.7
229.19032	0.8
281.24860	100.0
282.25314	5.4
295.26395	5.7
323.09882	17.8
323.26007	3.9
341.10916	34.5
342.11185	1.1
386.30249	0.8
475.51715	0.7
605.35437	18.6
606.35413	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	665.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.1
57.03464	1.1
59.01381	0.1
60.73576	0.1
64.58022	0.1
66.00694	0.1
69.03442	0.4
71.04995	0.2
76.57805	0.1
76.81590	0.1
83.05015	0.7
84.02161	0.2
85.02937	0.5
92.79576	0.1
97.06566	0.6
99.08147	6.7
117.45558	0.1
121.10152	0.2
125.09704	1.3
127.11264	3.2
129.09187	0.5
137.09685	0.2
138.79160	0.1
139.11282	2.9
148.05334	0.8
155.10753	0.6
155.14384	1.0
157.12364	0.2
163.11234	0.1
165.12822	0.6
167.10800	0.5
167.14404	1.6
171.10268	8.9
172.08730	0.1
181.12434	0.1
183.13902	5.7
185.11884	0.2
185.15448	0.1
190.05005	0.1
193.12367	2.1
199.13431	0.6
209.11908	1.4
211.13420	35.9
212.13805	1.2
229.14461	20.6
230.14778	0.7
293.21381	1.1
311.22202	1.3
329.23380	100.0
330.23712	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	665.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57261	0.6
55.01883	1.3
57.03442	0.7
59.01375	3.8
69.03423	1.2
73.02931	1.1
75.00953	0.7
83.04991	1.1
89.28893	0.7
90.62707	0.8
95.05050	0.8
99.08140	5.7
99.92576	13.2
100.92591	3.9
115.01900	0.8
123.08142	0.8
125.09695	4.1
127.11277	1.4
139.11290	3.3
165.12837	1.4
167.14371	1.3
171.10257	25.7
183.13930	4.6
193.12350	9.5
195.13864	0.9
211.13397	34.5
229.14412	14.0
267.16058	1.4
279.23288	100.0
280.23511	1.3
285.17056	10.3
293.21304	7.0
295.22858	0.9
303.18069	7.8
311.22250	6.8
329.23367	6.1
384.19693	0.9
385.20456	2.7
385.25967	28.0
385.30862	1.2
392.21719	0.7
403.26968	27.7
403.31760	1.5
441.51324	0.8
626.57037	1.1
665.50134	84.7
666.50519	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	666.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11041	0.2
59.01393	1.2
61.98833	100.0
71.01380	1.3
87.00885	0.3
89.02446	1.1
94.38803	0.2
100.44830	0.2
101.02410	0.4
113.02423	0.3
116.45390	0.2
119.03503	0.3
148.75711	0.2
172.55536	0.2
279.23376	1.4
280.20975	0.2
280.23776	1.3
281.24017	0.9
342.11368	0.4
343.11469	0.3
513.79907	0.3
606.35004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
59.01391	2.5
61.98835	3.6
63.00153	0.3
71.01367	3.0
71.67419	0.3
72.99308	2.0
73.02975	0.4
80.02696	0.4
81.03456	0.4
85.02941	1.5
88.98781	1.5
89.02409	0.7
91.01862	0.5
93.03452	2.0
95.01401	0.4
96.95992	1.4
97.02910	0.5
99.00874	0.5
101.02429	1.5
108.02177	35.2
109.02979	0.5
111.00857	0.5
113.02433	1.5
117.03445	0.3
117.81944	0.4
119.01434	0.6
119.05012	0.7
121.02946	8.4
123.04509	20.2
130.14673	0.3
132.02145	1.5
133.02983	0.4
134.03777	1.3
135.04543	2.5
137.02444	2.0
138.05638	0.4
145.02985	0.4
146.06226	0.6
147.04536	2.6
149.02443	55.9
150.03098	0.9
152.01157	82.1
153.01666	1.9
153.99109	0.4
160.01666	3.9
160.04034	0.6
161.02438	1.8
162.05632	2.2
163.04005	5.5
164.04796	39.1
165.01971	0.8
165.05252	0.5
166.02707	1.4
167.03494	100.0
168.03835	2.7
169.05061	2.1
173.08163	0.6
173.69914	0.4
174.03189	0.4
175.00359	6.1
175.03993	4.4
175.09744	1.4
179.03557	0.4
179.07140	7.3
180.04312	0.4
181.05067	0.8
182.02199	0.4
184.03732	0.5
188.03444	0.6
189.05542	0.4
190.02718	15.7
191.03285	0.5
193.01413	13.9
193.05099	0.9
194.02185	0.4
205.05090	18.5
206.05313	0.5
208.03796	29.0
209.04488	2.8
223.06137	80.7
224.06514	2.4
271.02487	2.9
299.02039	6.2
311.07742	0.4
313.03592	0.7
314.04297	3.9
329.06619	10.1
337.09372	4.1
361.09668	0.4
443.12000	28.0
444.12244	2.0
461.12946	9.1
505.13559	4.5
667.19019	12.7
668.18762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41904	0.3
53.08401	0.3
53.47277	0.3
54.68524	0.3
54.78910	0.4
59.01386	6.8
63.96249	1.7
68.99834	0.4
71.01382	5.3
72.99311	0.9
80.02676	0.5
85.02955	2.2
87.00871	0.5
89.02444	2.4
92.11674	0.5
101.02457	2.0
108.02174	32.4
111.00880	0.8
113.02454	1.7
117.97313	0.6
119.05023	0.6
121.02940	0.7
123.04513	18.3
132.02185	7.3
133.02954	3.5
134.03737	15.4
135.04543	3.6
135.98341	2.3
136.01573	0.4
137.02411	0.8
144.04523	0.6
146.06142	0.6
149.02478	1.0
149.06079	3.2
150.03168	0.5
150.84663	0.4
151.00339	2.4
152.01155	82.3
153.01740	0.5
160.01662	48.8
160.03871	1.5
161.02446	13.7
162.05608	3.1
164.04851	1.7
166.02733	4.4
167.03493	100.0
168.03815	1.9
175.04001	57.7
176.04440	2.0
177.05559	0.8
178.02689	0.8
179.03467	3.7
181.05057	2.1
188.03520	0.8
190.02652	0.5
193.05058	13.7
194.02153	1.0
194.05350	0.6
197.46002	0.4
205.05109	0.6
206.04633	0.7
209.04562	4.6
221.04521	0.6
223.06087	2.2
233.04831	0.4
253.07144	1.8
299.01694	0.6
323.04886	0.4
323.07816	8.2
329.09030	0.7
337.09335	47.3
338.09433	2.1
379.33838	0.5
438.00739	0.6
505.13620	56.6
506.13623	4.0
547.17957	0.6
604.16357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43099	1.5
60.81564	1.5
64.74680	1.6
78.95901	3.8
94.90581	1.6
99.40594	1.8
123.77026	1.9
129.59964	1.7
139.70172	1.8
152.99583	7.2
277.21722	2.6
286.64011	1.7
336.01785	1.8
359.98572	1.8
438.23328	1.8
507.46698	2.0
593.27295	4.4
607.37244	2.7
667.36346	100.0
668.37268	2.8
668.73761	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	667.516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70409	0.4
59.01374	1.8
61.98827	1.7
66.53079	0.4
76.28914	0.4
77.18971	0.4
81.76958	0.3
88.04019	0.5
97.09088	0.3
116.92844	0.4
124.48399	0.4
125.09715	1.9
127.11288	0.8
136.16286	0.4
138.94339	0.4
141.12836	0.7
158.89841	0.4
171.10268	33.3
183.10272	2.4
246.23822	0.4
275.16898	0.4
275.20209	0.4
277.21741	42.3
278.22101	0.6
293.21146	0.5
295.22800	100.0
296.23163	2.9
297.86685	0.4
332.52759	0.4
667.38477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14475	0.3
57.03459	0.5
59.01387	2.1
61.98823	2.0
63.02395	3.9
65.00321	8.1
66.99905	0.4
68.28427	0.3
71.01366	2.9
72.99313	0.5
75.00870	2.1
83.01386	6.4
85.02937	2.6
87.00883	0.6
92.11666	1.1
92.62152	0.4
95.01375	0.6
96.96006	0.6
99.00861	0.6
101.02425	0.5
107.01387	17.3
108.02189	5.1
113.02451	1.8
117.01826	0.5
119.05006	0.9
121.02964	0.8
123.00854	3.6
123.04526	0.6
124.01659	5.4
125.02426	7.7
133.02908	0.6
134.03760	2.2
135.04414	0.4
136.01680	4.0
137.02362	0.6
138.03259	2.6
141.39606	0.5
145.90807	0.4
149.02440	14.2
149.03578	0.7
149.99580	8.7
150.03035	0.5
151.00365	48.9
152.01190	3.4
152.65379	0.5
153.01863	2.2
153.05574	2.1
160.01643	5.7
161.02432	0.5
162.05634	1.0
164.01140	9.4
164.04785	20.6
165.01923	2.0
167.03514	1.9
168.00630	15.3
168.03934	0.8
169.01390	6.1
173.02313	0.6
175.00429	0.5
175.03978	5.1
177.01907	4.9
179.07127	15.3
180.48347	0.5
187.04085	0.6
188.03510	0.8
190.02818	1.0
193.05003	0.9
196.00099	6.1
205.05029	2.0
215.03485	4.4
216.00719	0.7
223.06117	2.8
224.06451	0.6
228.03981	0.4
229.05013	0.8
231.02908	0.8
257.04495	2.0
272.06842	0.8
287.09171	1.6
300.02570	0.6
301.03360	0.7
315.05350	0.6
316.05933	5.7
317.06583	0.6
331.08255	100.0
332.08676	4.2
337.08109	2.5
430.70178	0.5
507.15179	3.6
669.05200	0.9
669.16815	28.1
670.16882	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10522	0.8
51.79247	0.8
52.89317	0.8
53.06599	0.8
57.46960	0.9
59.01373	1.9
59.21055	0.8
62.58718	0.8
62.66232	0.8
66.64751	0.8
71.01363	5.5
76.05013	0.8
78.65480	0.9
85.02935	4.0
85.97952	0.9
89.02419	1.1
93.03468	0.9
96.25555	0.9
99.00886	1.1
101.02404	4.1
103.40948	0.9
104.13296	0.9
108.02184	0.9
110.00085	4.2
113.02441	2.3
117.03432	1.2
119.04958	1.5
125.02401	4.2
132.02174	12.7
133.02924	6.3
134.03741	24.8
135.04500	5.1
137.02435	5.7
137.99600	5.7
139.00354	10.4
140.01132	1.2
145.02966	1.2
149.06076	5.2
152.01089	1.3
153.01932	100.0
154.02731	14.0
160.01653	81.0
160.02991	1.6
160.03773	1.2
161.02461	21.4
162.05614	3.9
167.03479	5.3
168.04268	41.1
169.05055	10.0
175.03989	92.2
176.04399	4.2
178.02679	4.2
179.03503	6.7
188.03540	1.3
193.05017	17.1
206.04518	1.1
206.24927	1.2
214.00676	1.1
217.05043	1.3
221.04701	1.1
229.25566	1.0
237.07799	1.1
283.96741	1.2
323.07816	4.6
331.10373	1.2
337.09335	22.2
467.53281	1.1
507.15063	97.1
508.15457	8.4
669.19434	14.9
670.20172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.76822	0.2
57.03456	1.6
57.69630	0.2
58.00592	0.3
59.01392	26.1
67.28465	0.2
70.04139	0.2
70.27766	0.2
71.01392	14.4
72.99303	0.5
73.02932	1.4
78.42773	0.2
79.57914	0.3
83.01395	2.2
83.05043	2.2
85.02961	4.2
89.02449	11.3
92.64981	0.3
93.03432	0.4
95.01366	1.2
96.96001	0.6
97.02946	0.7
97.06546	0.4
99.00880	0.7
101.02440	8.3
107.05010	0.5
109.06544	1.2
113.02451	6.0
116.59480	0.3
119.03506	3.0
122.03759	0.6
124.05299	2.5
125.06033	1.4
133.06569	2.3
135.16615	0.3
137.06042	1.8
138.03233	0.5
138.06871	7.9
139.07651	16.0
144.58675	0.3
147.08167	0.4
149.09712	0.5
151.07655	5.7
156.67303	0.3
158.07372	0.4
160.01733	0.3
161.04504	0.5
173.09717	1.8
175.07622	5.6
182.05894	0.6
191.10779	36.3
192.11169	0.3
205.12389	0.4
209.11714	0.7
235.09773	0.4
242.65936	0.3
415.16129	100.0
416.16449	1.9
582.39075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03461	0.2
59.01378	1.1
60.01570	0.1
61.98845	0.2
68.79903	0.1
71.01386	2.1
72.99324	0.2
73.02954	0.2
75.00871	1.7
76.37440	0.1
81.05347	0.1
83.01395	0.2
83.10038	0.1
85.02961	1.8
87.00878	0.6
89.02458	0.6
95.01393	0.3
99.00896	1.1
101.02437	0.3
108.92677	0.1
109.79780	0.1
113.02453	2.3
114.79549	0.1
117.01958	0.3
132.22458	0.2
145.02980	0.2
160.04079	0.3
162.05624	0.9
175.02411	0.3
188.03505	0.2
206.04634	0.2
279.80087	0.2
287.20135	0.6
331.19189	100.0
332.19489	4.6
337.07813	2.8
440.78513	0.2
628.48389	0.2
669.27704	8.6
670.27850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3784
Annotation	SAQUINAVIR
Peak:m/z	Relative Intensity
54.24525	1.6
61.98832	3.9
64.34213	1.7
70.17156	1.7
70.50459	1.5
71.80042	2.0
76.12649	1.9
78.95886	2.3
87.24290	2.0
115.72661	1.8
118.69215	1.6
126.14808	1.8
343.25110	2.7
669.37817	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	671.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59980	0.2
56.11584	0.1
59.01384	6.0
61.98807	0.2
71.01401	1.5
73.02935	0.4
76.56789	0.2
83.01402	0.2
85.02939	0.7
87.00848	1.1
89.02436	0.4
96.95992	1.4
101.02397	1.6
105.03442	0.7
113.02447	1.1
115.01898	0.3
117.03470	0.7
119.05044	1.5
123.04513	0.4
132.02177	2.4
133.02946	44.0
134.03606	0.8
135.04509	4.0
144.04616	0.3
146.06082	0.8
160.01642	0.7
160.04007	0.7
161.02446	100.0
162.02794	1.7
162.05598	1.4
163.05899	0.2
175.03970	0.2
179.03539	1.8
188.03531	0.8
190.02646	0.2
190.05089	0.3
206.04633	0.3
241.01314	0.2
323.09924	0.2
341.10800	0.9
383.11957	1.0
425.13120	0.3
462.51508	0.2
485.19958	0.2
611.16492	0.4
629.17053	4.3
642.70679	0.2
671.18365	17.9
671.28662	0.7
672.18866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	7.0
78.95882	1.2
92.65746	1.0
98.21310	1.0
112.05689	0.9
124.94747	0.9
133.61845	1.0
143.65414	1.1
172.37473	1.0
266.09995	1.0
275.24213	1.0
348.06836	1.1
363.21765	1.2
395.53793	1.0
620.48029	1.2
671.26849	100.0
672.26617	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	671.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01392	1.7
61.98817	0.9
71.01379	2.8
72.99310	0.3
75.00865	1.2
77.74009	0.2
77.90620	0.2
80.88773	0.2
82.99770	0.2
85.02948	2.1
87.00868	0.9
89.02416	0.5
95.01363	0.4
99.00879	1.0
113.02439	2.5
117.57100	0.2
119.04999	0.4
129.01907	0.3
134.03783	0.3
146.06087	0.3
147.06412	0.3
162.05618	0.3
185.74623	0.2
188.03548	0.3
333.20749	100.0
334.21072	4.2
337.07883	2.8
527.40619	0.3
562.73322	0.3
671.29242	14.1
672.29565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3943
Annotation	Muricellaxanthin
Peak:m/z	Relative Intensity
52.23833	1.9
61.98831	28.7
69.45650	1.8
78.44405	2.1
78.95886	8.8
82.80520	2.0
116.28532	2.3
145.65674	2.7
149.34949	2.1
150.31798	2.3
152.99509	3.2
156.61797	2.2
192.26974	2.3
210.86192	2.3
238.33086	2.7
270.96503	2.3
279.23389	4.2
409.98373	2.6
595.29333	4.4
671.29102	4.3
671.39563	100.0
672.40155	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	671.3942
Annotation	Muricellaxanthin
Peak:m/z	Relative Intensity
60.61335	2.5
61.98824	3.1
68.75264	2.8
86.05383	2.5
152.34923	3.3
183.94679	3.3
435.46222	3.3
671.29065	3.6
671.39337	100.0
672.39001	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	671.3944
Annotation	Muricellaxanthin
Peak:m/z	Relative Intensity
52.66659	2.6
54.82618	3.2
61.98830	33.3
62.52538	3.0
83.37923	3.7
91.48274	3.9
92.37530	3.0
108.75246	3.7
127.83801	3.0
131.05228	3.7
161.28209	3.7
169.15199	3.6
219.97887	3.9
230.24294	3.7
243.00993	4.0
329.74478	3.8
380.46506	3.9
605.95709	4.6
671.39282	100.0
672.39764	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	673.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01411	17.3
63.41125	14.2
66.54061	15.4
67.50691	15.1
75.11108	14.4
82.95402	28.6
92.11829	20.2
121.02914	100.0
122.98536	27.8
124.07687	17.0
164.30740	14.8
206.19080	16.2
209.04526	19.6
317.14282	16.6
325.78342	17.8
451.06287	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	673.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.4
61.98848	1.2
64.80934	0.9
66.23129	0.7
71.01384	1.9
71.90273	0.7
72.99336	1.0
73.02960	1.0
75.00864	3.7
76.36089	0.9
84.21684	0.7
85.02988	0.8
89.02459	1.2
93.03460	1.1
96.96008	4.7
101.02416	1.1
102.15918	0.8
108.02174	26.4
111.18547	0.8
113.02434	1.4
117.03439	3.5
121.02964	1.6
123.04510	21.1
132.02162	3.1
133.03008	1.3
134.03728	77.5
135.04156	1.3
137.02435	10.2
139.03979	3.1
144.04497	1.0
146.06142	2.0
149.06084	15.0
152.01151	62.4
160.01657	14.4
160.04004	3.3
161.02432	4.4
162.05595	9.6
166.02736	1.8
167.03487	100.0
175.03995	20.6
178.02710	23.1
179.03394	1.3
181.05147	1.4
188.03548	1.8
193.05055	80.9
206.04642	4.4
250.30453	0.8
258.87128	0.9
443.11972	35.8
461.13425	5.6
637.17706	31.9
664.72058	1.0
674.33826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01667	0.2
55.97861	0.2
57.03458	0.2
59.01379	1.2
71.01385	2.7
72.99323	0.2
75.00871	1.5
85.02947	2.7
87.00854	0.3
89.02458	0.4
95.01357	0.2
99.00867	1.5
113.02442	2.2
115.00353	0.3
117.01929	0.3
129.01923	0.2
175.02507	0.3
210.74059	0.2
335.22314	100.0
336.22592	5.2
337.07813	2.7
382.40842	0.2
673.30890	17.7
674.31421	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82572	1.4
61.98830	7.9
70.33322	1.4
76.56396	1.4
80.91695	1.7
83.04990	1.9
97.06601	2.0
99.08148	2.4
113.09708	2.9
125.09721	2.2
127.11287	2.1
135.91982	1.8
139.11293	18.9
165.12807	2.2
171.10294	29.7
193.08444	10.0
193.12349	10.7
209.11798	2.4
211.13446	12.0
215.10619	3.4
229.14612	2.6
233.11610	22.0
244.94360	1.5
249.22351	2.5
251.12611	2.1
279.23303	100.0
293.21243	33.5
311.22299	62.7
315.19476	3.5
329.23410	6.4
333.20477	6.4
351.21567	7.3
512.20667	1.8
591.46503	27.3
613.44525	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82704	0.9
57.03455	1.0
59.01372	3.6
60.63837	0.8
63.27773	0.9
71.01395	1.3
75.53774	0.8
99.08136	3.8
104.93891	0.9
118.12078	0.9
127.11280	4.1
129.09254	1.2
139.11284	5.4
165.09114	0.9
171.10252	18.7
183.13931	1.7
199.13423	4.0
201.11346	10.3
211.13445	10.3
225.15057	1.6
229.14447	5.4
293.21317	3.6
300.98679	0.9
311.22296	4.4
329.23337	100.0
330.23697	2.0
338.83704	1.1
343.24866	7.2
441.98120	1.0
673.39191	4.7
704.81909	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99981	0.7
59.01377	1.3
60.54071	0.7
61.08043	0.6
61.17002	0.7
61.98835	1.3
71.01361	1.1
71.48470	0.7
87.00848	0.8
89.26006	0.8
92.56191	0.8
96.95999	1.0
101.02448	1.5
109.60079	0.8
119.05023	1.3
132.04535	1.6
139.32083	0.8
141.19235	0.8
144.04578	7.5
146.06068	0.9
147.03278	1.7
148.04030	3.6
160.04036	23.1
162.05606	100.0
169.36856	0.7
178.05138	1.7
186.05466	2.4
188.03531	60.4
202.05226	1.1
206.04599	73.9
207.04742	0.9
230.04631	4.5
244.72356	0.9
248.05672	27.2
278.06534	1.1
290.06772	0.8
308.07806	0.9
368.09784	1.9
410.11105	3.7
512.18018	8.6
674.23114	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
56.39601	0.3
57.01944	0.3
57.03461	0.7
59.01390	100.0
65.79371	0.3
71.01387	15.5
73.02952	5.7
77.77064	0.3
78.95959	0.4
83.01404	2.9
85.02953	7.3
87.00879	0.5
87.04527	0.6
89.02444	4.9
89.06124	0.5
95.01395	0.7
96.96005	1.6
99.00907	2.6
101.02442	21.0
103.68717	0.3
113.02455	8.8
119.03526	0.9
125.02479	0.5
143.03543	0.8
159.03020	1.4
161.04567	12.7
233.10353	1.4
251.11372	25.0
293.12454	32.7
366.36758	0.4
578.60010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03461	0.4
59.01390	100.0
71.01391	16.0
71.01763	0.8
73.02959	5.9
79.64899	0.4
83.01403	3.5
85.02964	9.4
87.00877	0.6
87.04519	0.4
89.02456	3.5
95.01405	0.9
96.96021	2.5
99.00888	2.2
101.02445	15.9
101.03072	0.7
106.83739	0.5
113.02446	8.0
119.03537	0.8
143.03514	0.8
159.03058	1.7
161.04559	10.1
161.05852	0.5
233.10378	0.9
251.11385	24.9
251.13966	0.9
293.12476	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05688	0.9
54.07097	1.2
59.01395	2.2
78.95906	66.3
96.96967	16.3
121.93327	1.2
152.98358	3.3
152.99593	86.3
161.91090	1.3
171.00682	1.2
223.00116	11.5
241.01256	24.3
277.21747	62.5
277.24835	2.2
280.08524	1.3
315.05127	9.5
526.84747	1.4
593.27454	100.0
594.28107	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	675.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
62.88453	0.1
67.14080	0.2
67.59937	0.2
75.12715	0.2
76.57295	0.2
81.03481	0.4
83.05014	1.2
89.03977	0.4
91.05530	1.1
93.03445	1.2
117.03458	1.8
119.04993	1.7
121.02949	12.7
132.02148	2.2
135.04579	0.7
137.02431	0.8
145.05746	0.2
147.04529	7.6
149.02437	100.0
150.02768	1.2
152.01108	0.4
160.04016	0.2
161.02415	0.2
162.05644	1.0
163.04005	1.6
164.04790	63.3
165.05106	0.9
171.06377	0.2
174.47571	0.2
179.07137	3.3
188.03589	0.3
191.48076	0.2
193.01425	0.7
206.04630	0.3
208.03780	1.7
223.06129	64.9
224.06277	1.7
224.17712	0.3
225.16127	0.9
283.34570	0.2
333.23166	0.2
334.54544	0.2
335.82971	0.2
433.31863	0.7
451.32938	13.2
452.33258	0.3
475.89838	0.2
623.35980	0.2
675.39105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82586	1.0
58.00606	1.3
59.01376	2.5
73.02927	1.5
92.65488	1.2
99.08131	4.9
113.09718	1.9
125.09697	1.9
127.11333	1.4
129.09233	1.5
137.09616	1.3
139.11275	2.2
140.17957	1.3
140.54037	1.1
141.09189	5.2
155.10793	1.7
158.23935	1.2
171.10281	24.3
185.11813	13.2
197.11873	6.3
201.11308	10.7
213.11391	3.0
213.90382	1.5
215.12912	17.0
221.30267	1.3
244.79784	1.1
309.20917	1.9
327.21829	15.0
329.23550	10.2
336.14539	1.4
345.22867	100.0
346.23346	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82586	1.0
58.00606	1.3
59.01376	2.5
73.02927	1.5
92.65488	1.2
99.08131	4.9
113.09718	1.9
125.09697	1.9
127.11333	1.4
129.09233	1.5
137.09616	1.3
139.11275	2.2
140.17957	1.3
140.54037	1.1
141.09189	5.2
155.10793	1.7
158.23935	1.2
171.10281	24.3
185.11813	13.2
197.11873	6.3
201.11308	10.7
213.11391	3.0
213.90382	1.5
215.12912	17.0
221.30267	1.3
244.79784	1.1
309.20917	1.9
327.21829	15.0
329.23550	10.2
336.14539	1.4
345.22867	100.0
346.23346	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1847
Annotation	alpha-Viniferin
Peak:m/z	Relative Intensity
59.01391	1.7
61.98841	0.4
67.76660	0.3
71.01390	1.6
73.02952	0.5
78.03485	9.5
79.62838	0.3
82.02959	0.7
84.30219	0.4
85.02913	0.5
88.51165	0.4
89.02432	0.5
89.83386	0.4
90.03486	28.8
91.01884	0.8
92.01450	0.6
101.02448	0.9
106.02986	15.2
113.02455	0.8
116.05065	7.3
118.02985	17.4
119.03465	0.5
122.02500	1.9
124.04040	100.0
125.02392	0.6
128.05049	2.0
131.03754	4.4
132.04555	0.7
134.02486	44.0
135.00883	0.4
135.04503	0.4
141.38606	0.4
144.04552	16.5
146.06126	38.0
147.06517	0.4
150.01952	3.3
152.03542	27.4
160.03981	0.7
161.02571	0.5
162.01976	92.8
162.05618	6.3
163.02354	0.7
172.04053	12.1
175.04095	0.4
180.03032	68.4
181.03267	0.5
188.03627	0.4
190.05112	33.4
214.05174	1.8
230.55457	0.4
232.06186	2.6
262.07278	0.8
266.23569	0.4
292.08261	2.4
331.91260	0.4
352.10477	2.3
394.11511	4.9
424.12552	0.8
436.12537	1.7
486.12631	15.0
487.12845	0.7
496.14725	7.1
504.13641	14.6
657.91882	0.4
677.18420	52.8
678.18781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54518	1.6
57.03197	3.1
57.03454	73.9
59.01383	100.0
61.98818	3.8
71.00988	2.4
71.01379	62.5
71.51974	1.7
72.99280	3.3
73.02940	29.6
79.05499	3.3
83.01361	4.0
84.61337	1.9
85.02950	14.7
87.00847	3.2
88.98824	2.5
89.02441	55.0
93.03426	3.2
93.20705	1.8
95.01359	7.0
99.04506	37.0
101.02427	64.1
113.02454	42.3
119.03504	19.3
119.04892	1.9
123.04492	4.4
125.02454	24.1
131.03510	3.3
133.02933	1.9
134.03712	9.6
135.04448	1.8
137.02406	3.2
143.03503	2.6
144.04512	3.1
145.02928	4.0
146.06131	3.2
147.11789	2.6
149.06213	2.5
160.01669	2.6
160.04022	13.6
161.02400	2.9
161.04591	9.5
162.05598	40.9
163.05899	10.9
175.04022	2.4
179.05577	7.8
188.03564	9.0
191.10802	23.8
193.04948	2.1
204.06604	2.0
206.04652	11.5
266.32864	1.9
353.16034	4.7
371.17084	25.8
372.17227	2.3
413.18137	4.7
483.13016	3.2
502.13126	2.0
515.21368	29.1
533.22363	48.8
575.23773	4.5
677.17029	3.3
677.26837	69.6
678.26660	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	677.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48684	66.7
54.82355	100.0
70.67988	89.1
102.85294	98.2
112.99900	80.5
138.11557	79.9
147.49875	75.5
253.75859	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73518	1.1
54.82151	1.4
59.01110	2.6
59.01390	54.1
61.98837	22.1
69.05205	1.1
71.36852	1.1
81.03465	6.2
83.05029	24.4
112.70459	1.4
119.05038	2.0
124.48506	1.4
130.88690	1.4
168.83569	1.3
209.91707	1.4
225.16139	2.5
264.82150	1.2
307.63776	1.4
313.57050	1.6
383.26740	1.3
391.29605	9.7
533.40295	2.3
599.45123	2.4
617.46588	100.0
618.46600	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	677.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91462	1.6
54.82897	1.7
62.20518	1.8
63.28019	1.6
71.90387	1.7
72.67500	1.6
78.99854	1.7
81.03455	10.0
83.05032	30.0
90.45752	1.9
111.31385	2.0
123.85253	2.0
166.33347	1.9
207.14952	2.1
224.17644	3.2
225.16154	21.2
247.78481	1.8
398.60815	2.2
451.33023	4.2
596.03259	2.3
677.49713	100.0
678.50690	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	677.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11249	1.3
58.60064	1.4
61.81721	1.2
81.03460	12.0
83.05023	27.2
84.94972	1.5
93.03454	1.5
101.32779	1.6
120.90907	1.6
124.06462	1.5
149.96376	1.5
162.05634	3.4
224.17673	3.6
225.16158	18.5
230.80095	1.5
231.59192	1.5
252.80612	1.5
450.35110	1.8
451.33038	10.2
641.41663	3.2
659.48242	2.1
677.49756	100.0
678.50226	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	678.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65430	53.1
56.36528	65.3
74.11847	56.0
95.37373	62.9
116.92825	86.4
130.91476	63.3
210.69463	68.0
262.86261	71.7
380.71716	76.4
464.72775	87.0
510.24249	76.9
678.30408	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	679.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51789	0.4
51.77258	0.4
55.45355	0.4
57.38378	0.4
59.01109	0.6
59.01384	11.2
60.95734	0.4
61.98843	0.5
71.01381	2.2
73.02954	1.9
83.01374	0.9
85.02934	1.2
87.00861	2.5
89.02441	1.2
96.96013	0.5
101.02429	2.1
113.02435	2.4
114.38259	0.5
117.03481	0.5
117.60094	0.5
132.02165	22.3
134.03728	11.6
143.03459	0.5
144.04599	0.8
149.06094	0.8
160.01656	100.0
161.02147	2.2
161.04631	0.7
162.05646	3.7
169.06195	0.4
175.03996	99.6
176.04411	2.5
178.02711	0.7
193.05061	9.8
206.04518	0.9
337.09232	1.1
341.10831	2.3
383.12054	1.1
583.17157	4.6
601.17419	2.5
643.18915	37.8
644.18994	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	679.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63192	0.8
56.49288	0.7
58.00592	0.8
59.01117	0.8
59.01387	21.2
61.98827	1.3
69.16695	0.8
71.01382	22.0
72.29035	0.8
73.02925	1.7
75.13309	0.9
76.26123	0.7
83.01390	0.9
85.02966	7.7
87.00881	9.6
89.02444	14.7
89.03967	2.0
93.03461	1.4
95.01357	1.4
96.95987	5.2
99.00869	1.3
101.02442	16.6
109.08691	0.9
113.02455	9.3
117.03458	5.4
119.03522	1.0
119.05025	1.0
121.02940	16.4
122.03290	4.5
125.02402	1.3
128.03517	0.9
131.03517	1.2
132.02171	12.3
133.02937	4.0
134.03732	91.0
135.04468	1.3
137.02417	3.2
139.04048	0.9
143.03517	1.8
149.06091	11.0
152.98848	0.8
160.01648	69.5
161.02431	2.0
161.04546	3.9
162.05623	1.2
175.03996	100.0
176.04695	5.0
178.02689	9.0
179.05634	4.2
181.79910	0.8
188.03519	1.3
191.07123	5.5
193.05060	78.2
203.05591	4.2
207.06630	3.6
209.04570	7.6
221.06613	6.3
223.06020	1.1
235.06154	12.5
265.07166	6.4
295.08255	3.9
337.09268	1.3
355.10300	3.3
397.11444	16.8
427.07227	0.9
427.12549	5.4
457.13495	5.0
485.15070	5.1
679.20990	61.3
680.20129	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	679.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38370	0.3
54.82619	0.4
55.01872	0.5
57.03452	0.6
59.01384	100.0
66.42136	0.4
71.01379	22.4
72.99302	1.6
73.02939	7.4
74.23824	0.5
81.85061	0.4
83.01388	3.1
85.02948	10.5
87.00880	0.8
89.02431	12.7
95.01387	1.7
97.02932	0.5
99.00856	3.4
101.02432	20.7
104.58811	0.4
113.02435	12.2
119.03489	4.5
131.03554	0.4
143.03568	0.9
159.03043	2.6
161.04561	14.0
179.05693	2.7
197.38132	0.4
220.39157	0.5
233.10400	2.6
241.40459	0.4
251.11357	27.8
293.12439	37.8
337.02594	0.6
337.08130	0.5
338.24115	0.5
341.10928	17.6
341.14972	0.6
433.95065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08219	0.4
53.93660	0.3
55.01884	1.9
55.77502	0.3
57.03454	2.0
58.00622	0.6
59.01383	100.0
71.01376	21.2
71.01760	0.9
72.99300	0.7
73.02930	6.1
76.57482	0.4
83.01382	4.1
85.02940	11.0
87.00874	0.8
89.01885	0.7
89.02433	15.9
89.02960	0.7
95.01390	2.6
99.00875	2.4
101.02430	22.4
110.32040	0.4
111.00887	0.7
113.02438	10.4
119.03475	5.4
131.03558	0.7
143.03511	2.2
156.07953	0.4
159.03046	1.7
161.04556	15.0
167.44569	0.4
171.86905	0.4
179.05585	3.6
192.15227	0.4
219.60696	0.4
233.10393	1.0
251.11342	27.4
293.12436	41.3
294.13025	0.6
337.07797	0.5
341.10898	18.6
341.14993	0.7
576.85217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92414	0.3
54.41227	0.3
61.98836	100.0
79.96205	0.3
94.84705	0.3
97.88869	0.3
101.07994	0.3
129.02176	0.4
162.05653	1.9
164.73259	0.4
173.50211	0.4
177.64740	0.4
206.04640	0.4
359.51816	0.4
423.99066	0.5
516.28424	0.4
680.32678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75186	0.3
55.38116	0.3
57.03444	0.4
60.75536	0.3
64.98880	0.3
67.59660	0.3
70.65128	0.3
70.66592	0.4
71.05038	0.5
75.00189	0.4
83.05037	0.7
84.02158	0.8
95.05022	0.8
99.08150	4.0
125.09703	2.7
127.11286	1.9
137.09688	0.5
139.11313	3.9
153.12885	1.8
155.14401	0.5
157.12354	0.5
160.81142	0.4
162.10487	0.8
163.11217	3.0
165.08951	1.8
165.12854	20.6
167.10484	0.4
167.14471	0.5
171.10272	8.2
176.86642	0.5
181.08514	0.6
183.13916	4.8
191.06842	0.7
193.08463	13.4
193.12265	3.4
203.10509	1.8
205.12132	6.1
207.10002	0.7
209.07932	1.6
209.11833	0.7
211.13429	25.3
213.08916	0.6
215.10593	2.2
219.10091	2.9
221.11618	14.0
229.12210	0.6
229.14456	14.4
231.10063	9.5
233.11609	100.0
234.11952	1.0
235.09439	0.6
247.09563	0.7
249.11113	17.2
251.12749	21.0
265.10635	0.6
289.26227	0.5
293.21298	0.6
329.23383	73.0
330.23557	0.9
351.21576	76.0
352.21890	1.0
417.83386	0.5
419.89243	0.5
424.73550	0.5
475.38724	0.5
681.45593	14.2
684.30554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60657	0.4
58.00608	0.9
59.01383	4.5
63.63155	0.4
95.05051	0.7
99.08168	5.1
113.09726	3.2
126.19908	0.6
129.09196	4.1
149.09647	0.6
151.11284	1.1
153.12822	4.4
165.12874	6.2
167.10652	0.8
169.12352	11.6
173.09462	0.9
181.12331	5.5
183.13989	0.6
191.10562	2.0
193.08505	0.7
193.12137	4.6
194.11926	0.5
197.11917	2.9
199.13409	11.1
203.10603	3.7
205.12126	0.7
209.11469	0.5
210.00543	0.5
211.13425	9.2
217.08682	0.7
219.10059	14.2
221.11623	29.4
227.12869	0.8
233.08005	0.7
233.11606	23.3
235.09541	3.1
237.09624	0.7
237.11229	0.6
249.11122	19.7
251.12614	2.3
265.10577	2.8
293.21301	0.9
311.22382	2.6
315.19479	2.9
329.23376	100.0
330.23688	1.1
333.19287	2.9
351.21576	52.0
352.21866	0.8
433.28787	0.5
681.44617	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	682.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67546	0.7
70.20235	0.7
71.20824	0.6
72.43697	0.6
85.66586	0.7
100.04049	1.3
139.73506	0.7
148.04378	40.0
150.96811	0.8
225.22260	3.5
225.43011	0.7
261.22272	3.3
271.22830	1.8
304.26535	16.4
318.28055	8.7
332.25803	1.1
362.27078	11.2
364.30630	0.8
410.27374	100.0
411.27478	4.1
639.04639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48531	0.4
55.01889	0.8
58.00592	2.0
59.01386	66.5
62.82695	0.3
64.33833	0.4
69.88996	0.4
71.01382	44.2
72.99296	2.0
73.02943	0.8
75.66410	0.4
83.01382	1.6
85.02953	7.0
87.00882	1.8
89.02440	62.4
92.11737	0.4
95.01375	2.7
97.02952	0.4
101.02438	23.0
113.02441	18.1
113.31988	0.4
113.32825	0.4
119.02668	0.9
119.03492	20.9
122.58698	0.4
131.03479	2.7
143.03491	4.3
149.04582	1.8
161.04561	3.9
179.05609	15.4
224.64561	0.4
341.10956	100.0
342.11362	0.6
443.95380	0.4
472.41922	0.5
508.57428	0.6
578.84583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10854	1.4
59.01398	1.6
75.45789	1.4
84.97309	1.4
111.69556	1.5
134.03734	71.9
135.04521	20.9
147.04524	2.2
149.06088	49.9
160.01674	2.9
162.05617	1.9
174.74693	1.7
175.03996	2.5
191.07164	2.8
204.06808	2.4
224.96866	1.6
237.05577	2.2
265.05090	2.2
267.03110	2.4
274.09592	7.8
277.05157	1.6
280.65524	1.6
281.04831	2.3
282.05295	3.8
289.12036	9.1
297.07755	10.5
309.07663	3.6
312.10062	17.4
327.12549	15.7
437.13330	2.6
449.13678	6.6
467.18054	3.2
479.18210	31.5
579.66650	2.1
599.20392	8.0
614.22437	2.9
617.25153	54.6
629.25165	100.0
630.24750	3.2
647.26575	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	683.3576
Annotation	14-Deacetyl-14-isobutyrylajadine
Peak:m/z	Relative Intensity
53.29087	1.9
57.49154	2.0
57.70809	1.9
65.04485	1.9
95.82422	2.3
128.47353	2.3
193.08376	4.6
448.82953	2.4
632.70062	3.1
683.35760	100.0
684.36090	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	683.5834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59937	0.1
65.86728	0.1
78.95866	0.1
116.92863	0.2
147.29503	0.1
147.57515	0.1
189.32323	0.1
253.21729	0.5
277.21704	0.1
279.23294	0.3
281.24869	100.0
282.25229	2.9
283.26248	0.2
363.25198	0.3
478.74823	0.1
585.48645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68026	0.5
54.82300	0.5
59.01378	22.4
64.91068	0.5
69.03445	1.0
70.62534	0.5
71.01374	8.4
73.02927	2.8
81.03473	0.6
83.01359	0.9
85.02933	3.7
87.00841	1.0
89.02423	8.4
92.65050	0.6
97.02917	2.1
99.00829	0.6
101.02439	6.2
113.02429	4.0
116.05053	0.6
117.03437	1.0
119.04950	0.7
125.02408	7.8
130.06598	22.9
131.03481	1.1
132.02156	26.2
133.02907	3.3
134.03719	36.8
137.02428	0.9
143.03491	4.1
144.04526	0.8
144.61644	0.5
146.06099	6.3
149.04520	3.4
149.06082	6.6
156.04507	3.5
159.04512	0.6
160.01645	100.0
161.01993	0.8
161.04536	8.5
162.05603	2.2
172.03967	1.1
174.05600	17.1
175.03990	88.4
176.04346	2.4
178.02669	3.7
179.05614	1.1
188.03531	0.8
190.05096	1.2
193.05045	24.5
206.04550	1.1
247.05966	0.7
249.90283	0.6
265.07101	2.0
293.05600	0.6
293.08795	2.7
311.09747	5.0
319.08279	1.0
337.09177	2.2
341.10895	1.2
379.10294	5.3
383.12009	0.9
450.14081	7.9
468.15112	10.5
523.14935	0.6
541.15375	2.8
559.16431	2.9
583.16760	7.5
601.17822	12.4
625.18744	7.9
643.18707	11.5
644.19202	0.7
685.19794	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	685.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.4
66.56692	0.1
69.03448	0.2
71.01381	1.7
73.02957	1.1
83.01394	0.6
85.02955	0.6
85.65323	0.1
86.52636	0.1
87.00876	1.3
88.25243	0.1
89.02451	0.9
92.12447	0.3
97.02952	0.2
101.02444	1.3
104.02686	0.2
111.64924	0.2
113.02422	1.8
117.03444	0.3
119.03508	0.5
125.02426	0.3
129.01945	0.2
132.02162	28.1
133.02899	0.8
134.03731	8.8
137.02394	0.1
143.03470	0.2
149.04570	0.1
149.06055	1.0
160.01653	100.0
161.01996	2.2
161.04559	0.5
175.03993	81.8
176.04333	1.6
177.01889	0.2
178.02585	0.2
193.05057	8.2
226.70291	0.1
323.09827	0.3
337.09387	0.5
341.10855	0.9
379.10129	0.8
383.11832	0.9
425.12958	0.7
435.36578	0.2
435.43408	0.1
541.15820	0.2
583.16803	1.4
601.18164	1.6
625.08289	0.2
625.17603	3.8
643.18811	3.6
685.19861	14.7
686.20038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39438	1.6
54.82180	2.5
119.05031	2.4
255.23387	3.5
265.61279	2.5
281.24890	9.3
518.09174	2.3
687.38922	100.0
687.50439	4.5
688.39264	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	687.4978
Annotation	PA(18:1(9Z)/17:0)
Peak:m/z	Relative Intensity
57.93985	0.4
67.75224	0.4
68.76077	0.5
71.28754	0.4
71.61588	0.4
76.05219	0.4
78.95907	9.3
82.94162	0.4
109.39090	0.4
110.50058	0.4
110.98523	9.1
152.99545	0.5
167.01149	2.9
215.45668	0.5
255.23318	44.9
256.23663	2.6
260.18686	0.4
262.37680	0.5
279.23264	2.7
280.23502	3.8
281.24866	100.0
282.25223	2.4
325.25595	0.5
405.24283	0.6
423.25186	3.6
529.56073	0.5
687.49744	16.3
688.50110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03444	2.2
59.01109	0.6
59.01383	12.2
61.98824	0.5
70.75844	0.6
71.01385	13.6
72.99296	4.3
73.02922	0.8
75.00863	14.2
77.05173	0.5
83.01389	1.1
85.02944	17.3
87.00864	7.2
89.02455	4.2
93.03400	1.9
95.01385	5.2
96.95989	1.1
99.00869	7.6
101.06068	100.0
102.06387	0.7
103.00381	0.8
108.02177	0.5
109.02845	0.5
111.00890	0.6
113.02438	15.9
115.00366	0.7
117.01930	2.5
117.51398	0.5
119.05029	1.0
129.01920	0.9
137.02432	2.9
145.02921	0.9
152.01166	1.0
157.01353	0.6
160.04022	1.0
162.05574	2.3
163.04004	0.6
167.03476	3.2
175.02472	1.0
178.25075	0.5
188.03474	1.0
203.07478	0.5
206.04662	0.9
231.05016	2.1
249.06146	10.9
267.07245	1.2
322.34869	0.5
351.12988	95.8
352.13309	2.3
431.12540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41352	0.2
57.03451	0.6
59.01383	2.3
64.90881	0.2
71.01377	2.5
72.99287	0.5
75.00854	1.8
85.02950	2.0
87.00861	0.5
89.02441	0.5
93.03448	0.5
95.01357	0.5
96.95992	0.3
99.00873	0.5
101.02418	0.3
101.75294	0.2
111.59253	0.3
113.02453	3.0
113.85542	0.2
119.04962	0.4
133.93044	0.3
137.02438	0.5
144.04654	0.3
145.02943	0.5
152.01192	0.4
155.14777	0.3
160.04013	1.1
161.02443	0.3
162.05600	2.4
163.05968	0.4
167.03595	0.3
188.03546	1.2
193.30127	0.2
206.04509	1.1
277.95602	0.3
287.20184	0.4
305.21429	0.6
333.20746	1.7
337.07849	3.1
351.21805	100.0
352.22137	4.6
441.16129	0.3
466.81625	0.2
629.35480	0.3
630.21338	0.3
689.30414	20.4
690.30597	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	689.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76503	1.5
54.65423	1.6
59.01380	14.1
59.81081	1.5
61.98824	6.6
71.01363	9.3
77.40089	1.8
84.50814	1.7
87.00911	2.1
89.02427	15.2
95.01376	1.6
101.02398	7.5
103.87360	1.7
113.02435	2.6
114.25283	1.7
119.03466	3.0
123.80063	2.0
127.11291	2.9
139.11279	11.0
155.10732	1.9
161.04529	1.8
161.13850	1.7
162.05606	3.4
171.10266	20.0
195.10286	4.1
198.96533	1.6
201.11337	14.3
293.21399	1.9
311.22260	7.3
329.23343	100.0
341.10843	23.3
353.23315	11.0
371.24393	3.0
377.38742	1.7
431.26474	8.1
491.28519	2.1
527.26331	4.1
653.33911	84.8
689.31757	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	689.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27533	6.6
59.01387	11.8
66.89182	7.6
71.01366	9.3
78.95890	31.0
116.92789	8.5
146.07539	7.8
171.54897	8.7
199.43454	8.0
249.67761	9.6
255.23340	100.0
256.23566	15.1
260.67303	9.1
279.23257	14.6
281.24896	53.9
282.25284	74.7
283.25500	9.3
287.33517	9.7
397.13470	70.6
689.35291	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78600	3.8
52.85558	3.2
59.01380	18.2
62.34928	3.3
70.42704	3.7
71.01389	4.6
76.55009	3.6
78.95876	7.7
82.95390	3.7
84.95103	25.4
85.02954	4.7
89.02447	8.8
101.02431	8.6
110.38200	4.2
110.98495	8.9
119.03477	5.5
127.26289	3.9
176.59105	4.8
232.27339	4.2
255.23337	71.4
256.23584	26.6
257.23984	5.3
281.24817	43.9
282.25153	36.9
283.25513	7.4
298.17563	4.9
354.84024	4.2
395.21146	26.2
397.13577	99.9
415.14642	21.1
521.23700	4.4
523.81384	4.6
611.39990	18.5
653.37555	9.9
689.35388	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	689.3736
Annotation	Bisnicalaterine A
Peak:m/z	Relative Intensity
59.27720	1.5
64.08460	1.7
78.95924	6.3
99.92583	100.0
100.93331	7.8
110.98547	3.5
115.35882	2.0
115.92079	68.0
115.92903	2.2
116.92856	84.3
127.44801	1.8
141.09230	2.0
255.23334	13.4
256.23712	13.9
257.23840	2.7
270.89963	2.1
281.24841	36.1
282.25214	35.2
283.25439	8.3
371.09698	2.0
373.43628	2.0
375.12811	11.0
377.14340	37.4
389.10641	3.8
391.12213	11.4
393.13873	4.3
478.68942	1.9
488.73938	2.0
653.35547	3.5
671.36389	30.0
685.34283	2.1
688.50543	7.1
689.37469	54.3
689.50409	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	689.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
83.03001	1.7
88.01560	1.7
92.11741	2.3
99.92574	90.2
110.98565	2.0
115.92066	71.7
116.92010	3.6
116.92844	100.0
189.21588	2.2
202.25288	1.8
255.23308	11.8
256.23660	6.7
257.23801	3.5
281.24875	23.0
282.25208	24.2
283.25644	3.5
288.23462	1.8
293.21265	1.9
311.22122	2.7
348.13956	2.4
375.12253	2.3
377.14346	25.5
377.76810	2.0
391.12241	9.7
671.35754	3.8
685.33173	2.7
689.37402	46.9
689.49487	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	691.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63211	0.3
58.37321	0.3
59.01381	3.1
61.98824	0.5
71.01384	3.6
85.02938	0.7
88.56953	0.3
89.02448	0.9
92.11707	0.6
96.96008	0.6
97.02936	0.3
98.11692	0.3
99.00861	0.5
99.04521	0.4
101.02438	2.2
105.02193	2.3
108.02165	1.5
113.02452	1.6
116.05066	10.2
118.06577	0.4
122.02477	63.8
123.03275	15.5
125.02415	1.4
128.05009	0.7
131.03766	3.3
132.04538	1.6
132.53670	0.4
133.01692	15.6
134.02522	0.5
138.05608	100.0
139.05975	0.8
144.04558	23.4
146.06122	47.6
147.06435	0.4
148.04039	14.4
149.01212	2.9
149.02435	1.9
150.01953	4.6
152.01193	3.5
155.02264	1.4
158.06148	1.6
160.04060	0.9
161.04616	0.4
162.05606	13.2
163.04001	0.9
163.23233	0.3
164.03589	0.9
164.04822	3.0
165.05495	0.4
166.05093	32.0
170.06113	1.4
172.04060	18.3
175.00381	0.8
175.04102	0.4
179.02232	13.5
179.07098	0.4
184.04022	0.9
186.05612	0.4
188.03545	1.4
190.02832	3.2
190.05109	31.6
191.03468	0.6
194.04593	85.7
195.04980	0.4
205.05022	4.5
206.04280	0.4
206.05988	1.4
214.05110	2.4
221.08131	1.2
223.06122	4.7
232.06134	3.2
237.07542	0.4
244.81630	0.4
250.04826	0.7
262.07227	1.5
265.07242	4.1
292.08337	3.1
352.10403	0.6
394.11624	3.4
436.12466	2.0
483.18723	0.5
496.14795	10.2
500.14035	3.2
511.18250	2.3
518.15222	4.6
529.19543	6.4
691.20050	41.5
692.20520	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	691.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60562	1.3
59.01390	20.7
61.19012	1.6
61.98818	1.8
67.15499	1.8
71.01373	26.2
73.02927	2.4
85.02940	3.7
89.02427	12.0
101.02434	4.1
108.02137	2.1
113.02434	10.3
116.05042	8.6
119.03521	1.8
122.02474	44.1
123.03284	3.9
128.04965	1.9
131.03783	2.5
133.01677	8.4
134.03743	7.3
135.04475	2.8
138.05597	63.7
144.04536	21.3
146.06116	38.8
147.06447	2.1
148.04099	7.7
149.01335	3.6
149.02444	32.7
152.01216	3.2
160.04018	8.0
161.04477	2.3
161.08162	2.7
162.05585	28.8
163.04002	11.3
164.04790	32.9
165.05550	2.6
166.02750	2.0
166.05066	18.9
172.04021	11.7
175.00374	11.7
175.03963	1.9
179.02254	9.8
179.07022	8.0
183.42857	1.9
188.03500	4.6
190.02704	49.7
190.05084	22.8
191.03453	12.5
191.69022	1.9
194.04561	51.1
205.05066	66.2
206.04173	2.7
206.06010	24.6
207.02962	10.8
208.03787	4.3
221.08232	23.8
223.06143	58.7
237.07632	12.7
248.05284	2.1
250.04782	8.2
265.07172	61.1
295.08264	3.9
323.13376	8.8
325.09500	4.5
340.90768	2.2
407.57233	1.9
483.18698	11.1
496.14648	4.1
511.18170	34.2
529.19324	100.0
577.05322	2.1
691.19916	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	691.389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94246	1.1
58.03833	1.3
60.81462	1.3
65.30415	1.5
73.05257	1.4
79.35089	1.4
92.12296	2.1
94.06186	1.4
99.92578	93.5
100.93332	5.7
115.92063	58.7
116.92847	100.0
139.11290	1.5
279.23224	6.2
285.29727	1.9
285.65768	1.7
293.04849	2.9
294.05478	2.1
303.96048	1.5
337.99420	1.4
348.74759	1.5
374.97943	1.5
375.12698	8.2
393.13773	24.3
395.15775	2.0
407.10965	1.4
411.14658	3.6
541.02069	1.7
654.89709	1.6
673.37775	3.5
691.38934	49.5
692.38617	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
84.05878	1.1
92.12062	2.1
99.92577	92.3
100.93357	7.7
114.38566	1.6
115.92071	84.2
116.92856	100.0
150.58069	1.2
264.93320	1.4
279.23364	5.4
293.04913	7.2
309.04385	1.9
311.22824	1.1
375.12576	11.9
389.10651	8.0
393.13785	23.7
407.11484	2.6
411.14548	1.5
655.36725	1.8
673.37720	14.5
691.38959	46.8
692.39618	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	691.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12529	2.2
75.57888	2.5
99.92573	100.0
115.91229	3.2
115.92065	81.3
116.92091	5.3
116.92849	91.5
139.11285	2.9
267.03217	3.0
271.02719	10.8
279.23358	10.3
375.12762	4.6
393.13849	9.5
691.38916	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47440	0.7
56.84712	0.7
57.12952	0.6
59.01382	4.8
59.29391	0.6
61.98860	0.6
62.10120	0.7
64.60535	0.6
71.01375	4.9
71.41216	0.6
72.60754	0.7
77.96215	0.6
85.02953	1.0
89.02439	3.6
96.95985	1.0
101.02449	1.8
102.35632	0.7
104.91882	0.8
113.02448	1.2
114.62809	0.9
132.04556	4.8
144.04578	8.1
147.03268	4.3
147.46458	0.7
148.04018	0.8
160.04041	31.2
161.04720	0.8
162.05615	100.0
163.05864	0.7
178.05075	4.0
188.03537	49.5
191.35107	0.8
202.05127	1.4
204.06773	1.7
206.04605	64.7
230.04581	3.5
248.05661	14.3
278.06824	1.0
290.06696	2.9
308.07709	3.1
323.13419	1.5
350.08899	1.8
355.08829	0.9
368.10001	3.8
410.11145	1.4
440.54816	0.8
470.12854	1.1
530.15204	48.0
531.15918	2.6
692.20459	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35178	0.4
58.00617	0.6
59.01384	15.6
59.01680	0.5
62.39000	0.4
68.14504	0.5
70.10112	0.4
71.01381	11.0
73.02933	0.5
75.00941	0.3
75.43309	0.4
78.95860	0.4
83.01378	0.6
85.02946	1.1
87.00865	0.5
89.02438	11.4
91.16961	0.5
92.65035	0.4
96.95990	0.8
101.02435	6.2
113.02431	5.4
119.03492	3.9
119.04990	2.1
120.04535	0.6
130.06659	0.6
132.04564	4.2
134.03749	2.3
134.06094	1.8
135.79709	0.5
141.06769	0.5
144.04544	6.8
147.03227	2.8
148.04063	0.9
149.06128	0.6
159.03246	0.6
160.04045	30.4
161.04410	1.4
162.05605	100.0
162.83865	0.6
163.06029	1.9
174.05618	2.3
178.05081	3.2
179.05621	1.1
186.05617	2.5
188.03535	51.9
189.03856	1.8
193.05057	2.6
202.05101	1.0
204.06673	1.7
206.04596	67.8
207.04942	0.8
230.04526	3.3
248.05638	10.5
263.82242	0.5
278.06702	2.2
290.06738	2.4
293.12347	0.9
308.07828	3.2
316.02148	0.5
323.13516	21.4
324.14001	0.7
350.08856	3.9
368.09964	6.5
503.41251	0.5
530.15186	57.9
531.15668	2.9
692.20483	12.5
693.21118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64361	1.2
59.01385	65.2
71.01383	27.9
72.99294	1.8
77.15453	1.3
81.11149	1.3
84.07686	1.5
85.02956	6.3
89.02431	39.7
96.95990	5.9
101.02441	21.1
103.07020	1.4
108.19553	1.4
113.02457	13.4
119.03478	14.8
160.04047	1.7
162.05591	25.4
188.03584	2.3
206.04631	18.2
323.13492	100.0
342.56766	1.6
368.09818	11.2
519.70428	1.7
652.08270	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	693.179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92852	0.5
54.21859	0.5
55.85577	0.5
58.64827	0.5
59.01372	3.2
61.98813	2.4
62.89303	0.5
69.73611	0.6
71.01364	2.4
73.02922	0.7
78.03481	5.7
85.02954	1.0
86.36372	0.6
87.00831	0.9
89.02434	1.0
90.03481	24.1
91.01893	0.8
92.62485	0.5
97.02930	0.6
101.02422	1.4
101.19875	0.5
101.54435	0.5
102.66263	0.6
106.02990	11.4
106.68413	0.5
113.02432	0.8
118.02985	15.1
119.03442	0.7
119.05005	1.1
120.04545	0.8
122.02461	1.2
124.04029	81.7
125.02472	3.9
125.90841	0.6
126.98431	0.5
132.04547	7.5
134.01459	1.1
134.02478	29.5
144.04572	9.0
146.06094	2.2
147.03235	3.0
148.04094	0.7
150.01984	2.4
152.03537	20.6
160.04037	37.2
161.02420	0.9
161.04655	2.5
162.01970	56.0
162.05598	100.0
163.02313	0.9
163.06026	2.2
174.05583	0.6
177.72943	0.6
178.05064	5.9
180.03024	37.6
186.05627	1.1
187.02742	4.3
188.03531	63.3
189.03870	0.9
190.05130	1.3
191.05588	2.7
202.05104	1.4
204.06628	2.6
206.04601	76.7
206.75737	0.6
207.04929	2.4
210.87898	0.7
230.04608	7.1
248.05663	18.3
278.06693	3.2
290.06699	0.8
308.07770	7.9
350.08759	1.4
354.17505	0.6
368.09943	3.8
410.10965	18.5
411.11804	0.7
440.12253	1.0
452.12100	1.4
470.13074	3.6
504.13760	1.4
512.14203	5.7
530.15277	1.1
638.05487	0.6
693.17920	82.1
694.18201	7.5
707.45593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2046
Annotation	Helonioside A
Peak:m/z	Relative Intensity
59.24559	0.3
61.98832	0.7
71.01381	2.2
82.95436	0.3
85.02970	0.7
85.88306	0.2
89.02406	1.1
93.03450	0.6
96.95989	1.3
101.02426	1.7
106.04204	0.3
108.02206	0.3
113.02448	0.6
117.97778	0.3
119.03518	0.3
119.05013	0.4
121.02950	1.7
132.02176	8.5
133.02977	4.3
134.03738	56.7
135.04387	1.6
137.02440	10.5
139.03986	3.1
144.04605	0.3
147.04535	1.6
148.05295	0.7
149.02365	0.3
149.06081	22.0
150.03209	1.1
150.06367	0.4
152.01207	0.5
159.77402	0.3
160.01663	52.0
161.02457	4.7
162.05586	3.1
165.01918	0.4
174.03200	0.3
175.04004	59.9
176.04802	3.3
177.01927	1.4
178.02718	41.0
179.03381	1.4
188.03539	0.4
191.07169	3.7
192.04292	2.5
193.05061	100.0
194.05452	1.7
202.02737	0.4
206.04556	0.5
207.06676	1.8
208.03786	0.3
217.05055	1.7
220.03769	0.4
235.06158	3.1
260.82217	0.3
322.07455	0.4
323.07678	2.5
337.09329	24.6
355.10257	1.5
363.27130	0.3
531.15131	69.7
532.15662	3.0
542.06488	0.3
573.15887	0.6
681.77277	0.4
693.21204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.5
71.01377	3.4
73.02946	0.9
85.02943	2.1
87.00844	0.4
89.02450	2.9
90.54157	0.3
92.11741	0.5
96.05511	0.4
96.96008	0.8
101.02408	1.9
113.02440	1.5
116.05007	0.6
119.03492	0.6
119.04980	0.4
120.04551	1.6
122.39683	0.5
132.04547	9.4
134.06094	2.5
135.06625	2.0
144.04539	18.4
146.06110	5.1
147.03249	4.5
160.04031	47.9
161.04445	1.6
162.05602	100.0
163.05951	1.7
168.41969	0.3
172.04039	1.6
178.05110	8.7
188.03526	80.1
189.03879	0.7
190.05087	4.3
206.04596	45.1
207.04718	0.5
230.04437	0.8
248.05630	3.6
254.17763	0.4
278.06500	0.4
308.07803	0.7
410.44894	0.5
422.22610	0.4
431.28323	0.5
486.16208	92.9
487.16406	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	693.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10648	0.3
55.01886	1.4
57.03457	3.8
59.01387	24.9
61.98813	0.3
63.27882	0.3
67.01895	1.5
68.99819	1.5
69.03474	0.6
70.82617	0.4
71.01380	26.2
72.99301	5.1
73.02925	1.6
74.14709	0.3
75.00870	17.3
81.03466	0.4
83.01382	1.8
85.02949	26.9
87.00874	10.3
89.02439	9.9
91.03999	0.8
91.05526	19.7
92.12375	0.7
93.03439	1.4
95.01374	6.0
99.00870	11.3
99.08144	2.9
101.02448	3.4
103.00364	2.5
109.02959	0.4
111.00858	0.8
113.02448	35.3
113.36558	0.4
115.00368	2.2
117.01945	3.4
117.03458	5.2
119.03481	0.8
123.04601	0.4
124.04060	0.9
129.01942	2.8
131.03497	0.8
135.04517	9.9
137.02487	0.6
139.00421	0.5
145.08702	10.0
149.04564	0.6
157.01407	0.7
160.04013	0.7
162.05589	2.6
165.05563	0.5
175.02498	2.2
176.18301	0.4
188.03561	0.5
189.04022	0.5
191.05583	0.5
205.07243	1.3
206.04620	0.8
207.05161	1.7
223.08260	0.5
231.05154	2.5
249.06172	25.8
267.07239	70.7
268.07620	0.8
307.14026	18.9
308.14594	0.5
385.11456	100.0
386.11823	1.7
400.44037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72599	0.1
57.03460	5.4
59.01394	0.6
63.41666	0.2
67.01913	1.3
68.66806	0.1
70.96656	0.1
73.02959	0.6
74.47287	0.1
81.39519	0.1
83.01423	0.3
85.02962	25.6
86.03303	0.2
87.00885	38.8
88.01224	0.2
96.96011	0.8
96.96927	0.2
99.00927	0.2
101.02453	0.3
103.04011	0.2
111.00886	100.0
112.01191	1.4
127.00352	1.1
129.01942	6.3
130.99896	1.3
140.58330	0.1
147.02983	0.6
154.99881	0.8
173.00935	3.8
189.00455	1.1
191.01990	66.5
192.02359	0.9
213.93288	0.1
238.50146	0.2
248.23064	0.1
302.07608	0.1
532.56763	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	695.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96241	0.8
61.98835	1.2
68.24605	1.2
68.99794	1.2
91.67230	1.0
111.97721	0.9
113.42229	1.2
119.08308	1.1
121.02953	100.0
149.02393	1.1
152.98412	1.2
181.06619	4.8
191.03528	12.1
193.12744	1.1
199.23335	1.2
225.05583	6.2
227.47604	1.0
249.22182	1.4
251.07143	1.5
265.39374	1.1
293.21255	27.9
295.06100	4.3
311.09329	5.9
311.22314	38.4
313.07135	11.9
339.08777	6.4
383.07816	57.8
565.39771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70687	0.1
59.01387	100.0
60.01725	0.5
76.28457	0.1
78.95901	4.9
80.91212	0.1
81.81347	0.1
91.38388	0.1
117.40797	0.1
149.00090	0.3
205.16032	0.7
279.23343	0.2
285.12662	0.2
355.17346	0.1
427.18985	0.2
447.13721	0.4
653.30377	0.2
695.31293	25.3
696.31726	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63751	0.9
55.01878	4.2
57.03442	1.1
59.01386	100.0
61.98824	1.3
65.36456	1.0
71.01381	35.6
72.99303	1.2
73.02950	9.8
77.46958	0.9
78.95900	14.2
79.02529	0.9
83.01378	4.0
85.02949	15.4
89.02441	16.7
95.01368	1.8
96.95997	2.2
96.96943	1.3
99.00828	5.3
99.92570	1.0
101.02428	27.6
105.64302	1.0
113.02446	14.4
115.92083	2.1
116.92867	2.3
119.03471	4.8
152.99577	4.6
159.02951	2.3
161.04544	12.1
165.09250	1.5
179.05634	1.4
179.89182	2.3
180.90044	2.1
196.89534	5.5
265.88782	1.2
279.23248	1.5
280.23737	1.1
281.25183	1.2
473.36597	7.5
499.15604	1.5
536.79016	1.0
597.29248	1.3
635.41736	87.3
636.42065	12.1
695.21204	6.1
695.44000	6.1
713.07825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
55.47046	0.8
59.01390	100.0
61.92971	0.8
61.98814	1.2
71.00985	1.5
71.01385	38.8
72.99309	1.7
73.02959	9.7
83.01383	4.8
85.02959	12.9
86.07575	0.9
87.00879	1.8
89.02445	23.9
92.61361	1.2
95.01369	4.2
99.00845	2.3
101.02432	23.0
113.02448	16.0
116.91572	1.0
118.90620	1.0
119.03521	7.8
121.02966	2.1
131.03429	1.0
150.83966	0.9
153.16931	0.9
159.03023	2.1
161.04594	10.7
179.05634	2.2
222.37672	0.9
232.23055	1.0
293.01196	1.0
314.21982	1.0
435.93448	1.3
473.36490	2.0
517.35114	1.2
545.37610	1.2
546.69135	1.0
555.90845	1.1
635.41754	88.8
636.42084	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	695.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04578	0.3
55.01888	1.8
57.03457	0.8
59.01388	100.0
59.17551	0.3
60.01719	0.5
61.98830	0.6
71.01382	17.0
71.01759	0.7
73.02932	5.1
75.00889	0.4
78.95882	0.6
83.01398	2.3
85.02946	9.6
86.00109	1.9
87.00875	5.8
87.04515	0.5
89.02458	4.0
95.01402	0.9
99.00887	2.2
101.02443	8.2
101.64044	0.3
111.00864	0.5
113.02453	9.0
114.38434	0.4
119.03489	0.6
122.72543	0.4
135.08220	0.7
143.03502	0.4
147.08157	0.6
149.06116	0.9
159.03058	1.6
161.04562	6.7
165.09229	2.2
188.94893	0.4
191.55730	0.4
209.42419	0.4
256.92365	0.4
276.69724	0.4
383.29684	0.4
427.32062	0.6
457.33521	0.8
471.34604	0.5
473.36517	3.9
499.37735	3.1
543.85303	0.4
545.38788	4.5
635.41760	77.6
636.42029	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	695.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46784	0.5
54.82991	0.5
58.02959	0.7
59.01367	2.3
61.98832	0.9
66.65531	0.5
66.65917	0.5
71.01369	2.1
79.06100	0.5
81.03451	16.2
83.05022	52.9
86.38313	0.5
89.02394	0.7
93.03431	2.1
93.60178	0.5
96.95440	0.7
96.96002	15.3
96.96955	1.0
100.07668	7.9
101.02449	1.1
106.04205	1.1
107.05016	1.3
108.02139	0.9
108.04556	0.9
113.02473	0.7
119.04976	0.7
121.02920	0.5
122.02474	3.2
123.00792	0.5
123.04535	0.8
127.04041	0.7
133.02940	3.2
134.03635	1.0
137.02417	0.8
152.01151	2.2
157.13388	0.7
160.04002	0.7
161.02385	1.0
162.05638	4.1
163.03996	0.7
165.05573	2.2
175.04044	1.1
179.15524	0.6
182.75597	0.5
188.03535	1.0
193.05058	5.1
199.18193	12.0
206.04515	1.2
207.15158	0.7
222.77370	0.6
223.06230	0.6
224.17816	3.8
225.16100	9.7
243.17128	29.9
269.14969	0.9
308.23297	0.7
326.82355	0.5
341.29105	0.8
353.20944	6.4
451.32721	1.0
469.33984	10.8
695.50812	100.0
696.21484	7.2
696.51331	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	697.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76513	0.1
59.01387	100.0
60.01706	0.3
68.79165	0.1
73.96954	0.1
83.84593	0.1
88.97674	0.2
92.12486	0.1
109.02721	0.1
121.02950	2.8
151.00298	0.1
177.49704	0.1
191.03549	0.3
209.04530	1.3
311.22391	0.3
350.33255	0.1
385.14853	0.3
431.25473	0.2
575.12177	0.2
593.13403	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82505	0.2
55.01882	2.7
55.26303	0.2
57.03454	14.2
57.28191	0.3
59.01384	9.9
62.39178	0.3
66.31936	0.3
68.99812	0.4
71.01374	4.0
72.99309	1.4
73.02936	1.6
75.00873	0.7
78.95909	0.4
83.01402	3.1
84.02154	2.3
85.02943	100.0
86.03259	0.4
87.00854	1.7
89.02443	1.6
90.04343	0.4
95.88575	0.3
96.96007	0.7
96.96955	1.6
99.00884	0.6
101.02441	1.3
103.00359	1.8
111.00859	2.0
111.17084	0.4
113.02425	0.4
115.00380	0.4
119.05009	5.9
127.00350	1.7
129.01924	4.2
133.01396	0.6
137.48854	0.4
145.02895	0.4
147.02986	7.5
163.03983	4.2
178.99777	0.3
189.00407	1.6
191.01974	30.4
209.03020	23.8
209.05023	0.6
211.03703	0.4
248.81015	0.3
261.32855	0.3
337.05637	0.4
344.57834	0.3
355.06696	24.7
355.10391	1.3
356.07303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52345	0.8
59.01384	12.2
61.98827	1.1
65.70642	0.8
67.01904	0.9
71.01379	9.8
78.88333	0.9
83.01401	0.9
85.02940	2.0
87.00864	1.2
89.02458	8.5
91.01846	1.0
93.03449	1.3
99.72802	0.8
101.02447	5.3
108.02174	30.9
113.02427	6.5
119.03488	1.8
119.04997	1.2
121.02938	1.4
123.04511	19.6
125.02440	0.9
137.02457	1.4
146.06056	1.0
149.02460	10.3
150.03203	1.8
151.00372	4.7
152.01157	77.8
152.59282	0.9
160.04071	3.6
161.02426	1.1
161.04593	0.8
162.05646	6.1
163.04047	1.1
164.04811	9.4
165.01932	1.6
165.05547	1.0
166.02701	10.3
167.03490	100.0
175.00392	14.8
176.01149	6.4
179.03534	0.9
179.07188	3.3
181.05064	6.3
183.60236	0.8
188.03482	1.7
190.02725	49.9
191.03487	10.5
193.05048	1.0
194.02245	4.0
197.04509	0.9
205.05078	53.8
206.04544	1.0
208.03871	1.3
209.04565	12.4
219.03236	1.1
223.06122	11.6
269.06519	1.1
329.08835	5.7
341.10733	1.4
353.08768	11.4
367.10352	57.0
373.18564	1.2
496.60043	1.1
535.14642	74.6
536.14630	1.9
605.08563	0.9
697.28186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.2
59.01409	0.9
59.07944	0.2
61.34941	0.2
61.98860	0.5
71.05040	0.9
96.21052	0.2
97.02999	0.2
107.02357	0.2
113.09760	0.4
114.22261	0.2
121.02999	0.9
125.09761	1.2
139.11310	1.7
151.11244	0.2
151.85161	0.2
153.09225	0.2
154.10025	1.2
155.10669	0.3
167.14450	0.4
171.10268	2.7
177.12854	2.4
185.11784	0.3
193.12447	0.9
195.13945	2.9
196.14729	1.2
211.13417	1.2
249.22305	3.3
265.21808	0.7
267.23367	0.5
275.20193	0.4
293.21240	70.9
294.21533	1.8
311.22293	100.0
312.22650	3.2
349.17020	3.1
385.14697	4.8
385.25479	0.3
593.60010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42562	0.1
59.01385	5.0
60.01723	0.6
61.01812	0.4
61.98834	100.0
66.19396	0.1
74.34316	0.1
81.74220	0.1
147.38135	0.1
476.32321	0.1
613.65179	0.1
697.32227	0.5
698.31982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07752	0.3
53.43124	0.3
59.01378	1.7
60.45601	0.3
61.98833	100.0
66.13800	0.3
74.31208	0.4
78.95901	1.9
85.54823	0.4
96.95985	0.5
102.18575	0.4
106.13384	0.4
107.97898	0.4
114.22400	0.4
152.99643	1.1
155.56476	0.4
279.23297	0.9
699.34308	0.7
719.49200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
61.98803	1.1
71.01391	4.2
72.57886	1.0
87.44665	1.1
89.02454	1.4
93.03408	1.5
93.25323	1.0
101.02412	4.7
110.00079	1.9
113.02424	1.6
116.92892	1.0
119.01405	4.1
119.05020	2.4
121.02905	2.4
124.01636	1.3
125.02421	6.1
134.03740	1.1
135.04538	1.6
137.02431	4.3
137.99594	5.6
139.00368	11.5
149.02449	18.3
150.03210	2.0
151.04033	1.2
152.01118	5.4
153.01932	83.9
154.02707	15.9
160.04070	1.4
161.02341	1.8
162.05583	6.3
163.03952	4.2
164.04773	13.5
165.01952	1.7
167.03499	5.8
168.04272	28.0
169.05028	9.9
175.00381	21.6
176.01131	7.2
179.07103	4.7
188.03503	2.0
189.02019	1.0
190.02711	57.3
190.30270	1.2
191.03493	17.0
192.73994	1.2
193.01476	1.9
193.05106	1.1
196.31752	1.1
205.03148	2.3
205.05060	60.5
206.04558	2.0
208.03764	1.8
209.04559	4.7
223.06154	11.1
281.06500	1.5
331.10196	2.5
353.08603	1.7
367.10403	19.0
502.13818	1.3
537.16205	100.0
538.16272	6.6
644.38531	1.2
699.21576	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25088	0.1
59.01387	2.9
61.01800	0.2
61.81126	0.1
61.98834	100.0
64.41130	0.1
145.82669	0.1
152.76752	0.1
172.20847	0.1
312.43277	0.2
384.68997	0.1
515.75787	0.2
706.68732	0.1
708.26971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82671	0.3
57.99175	0.3
59.01381	0.8
61.98825	0.8
65.47770	0.3
67.13237	0.3
67.43500	0.3
71.01376	0.8
74.10593	0.3
85.02943	0.5
87.00877	0.5
93.03436	0.4
96.03393	0.3
99.00840	0.7
113.02506	0.4
114.14521	0.3
118.03012	0.5
119.05035	1.3
120.04556	1.7
128.18243	0.3
132.04559	3.3
134.03770	0.5
134.06114	1.9
137.08508	0.4
144.04567	10.5
146.06107	1.6
147.03300	6.1
148.04092	3.1
154.31407	0.4
157.05313	0.4
158.02441	0.4
158.06116	2.0
159.03284	4.5
159.04517	0.6
160.04051	44.7
160.07704	0.7
161.04839	7.7
162.05623	100.0
163.05937	2.7
167.03482	0.5
167.90096	0.3
174.05605	4.7
175.02763	1.4
176.03539	0.6
176.07207	3.5
178.02777	0.5
178.05125	2.7
181.45480	0.3
184.07770	0.4
185.04773	0.6
186.01976	1.3
186.05605	7.8
187.02769	5.8
188.03548	45.9
189.03949	0.7
190.05080	3.0
198.05536	0.3
200.03511	0.5
200.07224	0.4
202.05167	7.9
203.05650	0.4
204.03062	2.9
204.06679	13.7
206.04614	36.7
207.04901	0.5
216.06659	0.5
228.06667	2.8
229.03719	0.4
230.02249	0.6
230.04602	15.7
244.06261	0.4
247.04817	2.5
248.05656	20.6
249.05867	0.5
272.05786	1.3
290.06735	9.7
350.08820	18.8
392.10107	2.4
539.13373	0.5
557.14124	6.5
599.15375	11.4
600.15094	0.6
641.16284	4.3
642.17133	0.5
690.25470	0.4
701.18475	16.7
702.18542	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
71.01367	1.2
71.49801	0.2
85.02934	0.5
87.00862	1.6
89.91509	0.3
99.00855	0.6
101.02434	0.3
113.02426	0.4
118.02998	0.5
119.04996	2.0
120.04532	1.4
132.04529	2.9
134.02489	0.4
134.06093	1.0
144.04538	9.7
146.06108	1.4
147.03275	4.9
148.04057	2.8
157.05310	0.5
158.06120	2.9
159.03244	5.4
160.04031	40.3
160.07626	0.6
161.04819	10.2
162.05600	100.0
163.05881	1.9
163.84171	0.3
174.05620	4.8
175.02762	1.6
176.03537	1.1
176.07121	3.4
178.05087	2.4
184.04065	0.4
184.07664	0.5
185.04828	1.5
186.01991	1.5
186.05606	7.9
187.02751	5.7
188.03528	42.4
189.03906	0.4
190.05106	2.8
200.07144	1.1
202.05135	7.4
204.03052	3.1
204.06651	13.8
206.04596	32.4
207.04980	0.5
214.05150	0.3
216.06628	1.3
218.04633	0.4
220.06119	0.5
228.06714	2.3
230.04579	13.7
244.06107	0.6
247.04866	2.1
248.05643	20.5
249.05800	0.3
272.05627	1.5
290.06699	8.2
291.06802	0.3
292.22852	0.3
308.07669	0.3
350.08813	19.5
351.09390	0.5
392.09610	2.1
539.13336	0.5
557.14191	7.3
581.14063	0.6
599.15234	10.4
600.15503	0.4
641.16119	4.7
642.16473	0.3
683.17310	0.6
701.18396	14.5
702.18250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34474	0.1
57.20867	0.1
58.62552	0.1
59.72849	0.1
61.98807	0.1
64.34166	0.1
105.96758	0.1
107.05019	0.2
129.31183	0.1
147.08148	3.0
163.11282	100.0
163.33072	0.1
164.11621	1.5
173.09767	0.2
202.27695	0.1
214.97325	0.1
225.28906	0.1
323.20157	4.5
339.23297	51.3
340.23651	1.9
345.18344	0.5
361.21518	33.4
362.21912	1.1
580.72601	0.1
670.06830	0.1
701.45441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
59.01383	1.2
61.98843	3.9
69.42110	0.3
71.01389	2.2
72.99337	0.4
73.02941	0.7
84.05891	0.3
85.02937	1.3
87.00883	1.2
89.02454	0.5
92.12319	0.6
95.34846	0.3
96.95949	0.5
101.02437	2.6
108.02259	0.4
113.02438	1.3
116.05077	0.6
119.04985	1.4
120.04536	1.7
121.03011	0.4
125.02447	1.7
131.03711	1.7
132.04539	3.3
133.02921	0.3
134.03755	0.4
134.06116	2.0
137.02463	0.5
144.04555	13.2
146.06122	18.2
147.03268	5.3
148.04053	3.8
158.06113	1.2
159.03220	0.5
160.04041	24.6
160.07651	0.4
161.02444	2.5
161.04610	1.7
162.05608	100.0
163.05925	1.9
167.03572	0.3
172.04070	3.6
174.05614	1.4
175.04025	0.4
176.03525	0.7
178.05074	2.5
179.03551	0.4
184.03969	0.5
186.05617	3.5
187.02730	1.5
188.03531	39.1
189.03932	0.7
190.05098	10.2
197.04514	0.3
202.05156	1.8
202.10933	0.4
204.03069	0.4
204.06702	2.3
206.04601	65.0
207.04907	0.5
214.05154	0.7
230.04575	6.0
232.06197	0.5
248.05637	13.3
262.07297	0.5
272.05469	0.5
278.06808	2.2
290.06805	0.5
292.08432	0.7
308.07816	4.9
314.44525	0.3
334.09399	0.7
350.08871	2.6
368.09930	1.9
395.83731	0.3
410.10892	1.4
434.10840	1.4
452.12015	2.0
494.13538	0.4
496.14438	0.5
512.14148	14.7
513.14209	0.4
541.14685	19.4
542.14673	0.6
583.15790	6.2
665.17059	0.4
667.18542	0.4
703.20551	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	704.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00192	1.4
54.82466	1.5
59.01396	15.4
60.30046	1.6
61.98831	8.0
65.74039	1.6
71.01398	14.5
71.70367	1.5
72.99318	2.1
74.68707	1.4
76.57322	1.8
79.71722	1.5
83.01365	1.8
84.13060	1.7
85.02958	2.5
87.00871	2.0
87.42034	1.7
89.02447	3.7
93.03464	2.5
96.95972	2.6
97.02908	3.2
101.02424	7.7
113.02438	2.7
119.01363	2.2
121.02889	3.2
125.02439	7.3
130.06587	7.7
133.02960	1.8
134.03735	33.2
135.04179	8.0
136.01680	3.8
136.76898	1.7
144.04539	8.2
145.02998	2.2
146.06126	20.0
147.00948	3.5
147.04529	2.9
149.01193	17.0
149.02437	35.8
149.06096	17.1
150.06351	4.4
151.03949	7.8
156.04613	2.1
160.01677	3.9
160.04045	13.0
161.02380	4.0
161.04559	9.1
162.05597	33.6
163.03931	2.2
164.03511	5.9
164.04787	33.8
174.05661	2.9
175.00340	32.2
175.03996	3.9
179.05650	2.1
179.07149	2.7
188.03502	15.8
190.02705	96.2
190.05040	7.9
191.03418	3.1
193.01276	2.3
204.06714	2.2
205.05067	100.0
205.50520	2.0
206.04611	12.0
208.03766	3.3
223.06105	46.8
248.05531	3.9
265.07104	3.9
274.09622	9.8
279.16821	1.9
282.05441	8.0
289.12018	7.7
297.07596	4.0
298.08084	4.4
312.10165	7.0
313.10422	6.7
327.11984	2.2
328.12558	2.7
382.44894	1.9
529.15607	44.9
547.16687	27.6
618.25616	4.1
648.26666	10.1
666.28094	7.6
704.22058	9.7
712.06268	1.9
715.37146	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	705.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00195	0.6
53.02900	0.7
56.13830	0.6
59.01386	2.7
59.30967	0.6
61.98834	1.6
71.01382	1.6
75.42113	0.7
79.15874	0.6
83.01430	0.6
89.03961	0.7
92.11681	2.1
96.96037	1.1
101.02444	1.4
117.03468	36.5
119.05009	3.0
122.23792	0.7
132.02151	1.0
133.02946	0.8
134.03757	12.5
145.02965	100.0
146.03314	0.8
146.06111	1.4
147.06487	0.8
149.06105	1.4
160.01672	9.0
160.04065	1.3
162.05635	4.3
163.04045	1.2
175.04013	11.7
188.03511	1.1
190.04994	0.7
193.05098	7.5
235.14922	0.8
244.82210	0.8
248.88762	0.7
337.09537	0.7
349.21469	0.7
377.11929	0.9
385.91519	0.8
525.10565	0.8
541.15601	2.5
559.16541	8.4
627.04181	0.8
704.60461	0.9
705.20612	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	705.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49706	0.2
54.77451	0.1
59.01389	0.2
63.47787	0.1
91.77361	0.2
91.94354	0.2
92.11765	0.2
108.04486	0.2
113.01236	0.1
118.92901	0.2
119.05000	1.2
120.04550	1.5
132.04518	0.4
133.02914	0.2
134.06100	1.8
134.80032	0.2
144.04529	1.7
147.03261	3.8
151.03935	0.2
160.04034	12.8
162.05600	100.0
163.05948	1.4
166.11359	0.2
175.02750	0.2
176.03494	0.4
178.05101	0.2
180.80177	0.2
188.03516	7.4
191.05522	0.2
206.04594	64.7
207.04936	1.5
254.50903	0.2
344.58936	0.2
354.62369	0.2
368.09860	45.4
369.10117	1.1
447.24628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
68.36773	0.1
71.01395	0.2
76.78836	0.1
89.02427	0.3
96.96027	0.2
101.02441	0.2
108.04585	0.2
113.02444	0.3
118.02995	0.2
119.05034	1.6
120.04560	2.6
132.04547	1.1
134.02477	0.2
134.03760	0.2
134.06107	3.3
144.04559	2.2
147.03276	8.6
148.03981	0.2
160.04050	10.6
162.05617	100.0
163.05942	1.8
164.26311	0.2
175.02649	0.2
176.03464	0.3
178.05128	0.3
179.02272	0.3
188.03532	6.9
206.04614	60.7
207.04958	1.2
233.29153	0.2
254.04837	0.1
288.28613	0.1
302.66718	0.2
337.15021	0.2
479.15411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54898	0.6
55.37339	0.5
69.79605	0.6
96.82829	0.5
113.60613	0.6
117.03453	1.4
119.05002	0.8
133.02924	3.5
134.03728	100.0
135.04527	25.8
139.49103	0.7
145.02905	5.4
147.04498	1.2
148.05309	2.4
149.06075	60.9
160.01608	2.9
161.02460	1.3
164.42549	0.7
175.04059	4.4
176.03569	1.2
177.20157	0.6
180.08813	0.6
190.05130	2.7
204.06671	5.9
219.86111	0.5
231.09009	2.4
247.10875	11.7
248.11510	3.4
251.55391	0.7
258.29077	0.6
263.13947	1.4
265.14459	1.2
269.18060	0.7
273.08810	8.4
274.09613	27.4
275.10089	1.0
289.11966	36.9
290.12149	1.0
414.39319	0.8
423.15826	2.5
424.16275	0.8
439.18771	79.7
440.18930	4.4
657.61011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87537	0.1
59.01387	1.0
61.98834	100.0
62.41300	0.1
63.78308	0.1
71.01409	0.3
77.39283	0.1
83.01402	0.2
87.00887	0.2
93.03450	0.3
100.98674	0.1
101.02448	0.1
113.02477	0.2
117.03455	0.1
119.05099	0.1
129.60983	0.1
132.02197	0.9
133.03035	0.2
134.03778	0.8
140.08351	0.2
144.04630	0.3
145.02980	0.2
146.03307	0.1
146.06082	0.4
146.59302	0.2
149.02480	0.2
157.04048	0.2
160.01666	5.4
160.04065	0.8
162.05594	2.2
163.04077	0.2
163.05898	0.2
175.03998	6.1
176.04405	0.1
188.03568	0.7
190.02873	0.2
191.05627	0.2
193.05125	0.3
205.05060	0.5
206.04686	0.8
208.77866	0.1
218.48758	0.2
239.38516	0.2
267.57190	0.1
500.04688	0.1
643.19165	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	706.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98833	100.0
71.01392	0.5
73.02956	0.3
74.51946	0.2
83.01379	0.4
89.02471	0.3
92.08493	0.2
92.11661	0.6
101.02418	0.3
128.74556	0.3
132.02193	1.8
132.04555	0.4
133.02946	7.5
134.03735	0.7
135.04541	0.5
144.04530	0.4
145.02908	0.3
146.06139	0.5
160.01662	6.2
160.04059	0.5
160.84273	0.3
161.02435	19.9
161.04514	0.5
162.05606	3.4
164.54527	0.3
175.00334	0.3
175.03995	5.2
188.03589	1.4
191.03271	0.4
193.05171	0.6
206.04506	2.2
383.12726	0.3
515.19611	0.4
601.17694	0.3
614.87592	0.3
629.17542	0.5
643.18872	2.5
671.18231	6.4
702.19647	0.4
706.22723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74487	0.3
59.01378	0.8
61.98843	2.4
65.99864	0.3
71.01389	2.9
72.99310	7.5
73.02928	1.2
73.53208	0.2
85.02966	1.0
87.00896	0.5
89.02447	0.4
92.12123	0.4
92.64852	0.3
97.02946	0.4
99.00883	0.6
101.02477	2.1
105.02221	0.4
112.19337	0.3
112.62710	0.3
113.02426	1.2
116.05038	4.0
120.00875	1.4
121.01681	3.0
122.02483	5.3
125.02423	1.4
128.05061	1.5
131.03760	2.8
132.04546	1.8
133.01662	1.5
136.00401	0.7
136.54024	0.3
138.05586	2.5
143.88831	0.3
144.03584	0.3
144.04546	17.3
146.06114	38.1
147.06445	0.4
148.03990	0.7
149.01176	100.0
150.01555	0.5
152.03508	0.5
155.04070	0.3
158.06157	0.7
160.04019	0.5
161.04593	0.5
162.05586	7.3
164.03529	41.8
170.06096	1.4
171.03271	0.5
172.04033	16.2
186.05586	0.6
188.03514	1.4
190.05095	40.2
192.03023	9.4
194.04523	0.4
206.04567	0.3
214.05092	1.5
232.06128	4.8
239.92882	0.3
262.04663	0.3
262.07162	2.6
292.08267	5.8
352.10391	4.2
378.08435	0.4
394.11383	5.8
424.12515	1.4
433.12540	0.3
436.12558	1.4
496.14767	3.2
514.15179	0.5
624.02527	0.3
707.19281	3.0
732.65063	0.4
735.80688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
63.42948	0.4
71.01366	3.1
73.02920	0.8
85.02961	0.8
86.09803	0.6
87.00873	0.8
96.95987	1.9
97.02976	0.6
101.02431	2.1
105.02189	2.2
113.02427	0.9
119.04997	1.1
120.04558	0.8
122.02474	41.9
123.03265	12.3
125.02427	5.5
132.04539	11.5
133.01680	7.4
134.02486	1.1
134.03685	0.6
134.06161	1.9
137.02455	0.6
138.05606	62.8
139.05957	0.6
144.04543	13.7
146.06094	0.7
147.03238	3.9
148.04045	10.9
149.01199	2.6
149.02409	1.0
150.01968	3.4
155.02254	1.0
158.06001	0.6
159.03204	0.9
160.04039	51.5
161.04626	2.6
162.05602	100.0
163.05913	1.1
164.03477	0.6
166.05095	16.7
174.05594	3.2
175.02708	0.6
178.05069	6.3
179.02242	12.6
186.01944	0.7
186.05580	3.3
187.02765	5.8
188.03529	72.2
189.03784	0.7
190.05103	0.6
194.04579	36.6
200.03506	2.7
202.05106	3.2
204.03072	0.6
204.06686	4.1
206.04594	69.1
207.05064	1.0
209.42183	0.6
223.06116	1.8
230.04576	9.3
248.05647	20.9
278.06805	4.0
308.07776	7.0
330.32193	0.5
350.08969	2.2
365.07968	0.7
368.09894	2.5
383.08731	2.0
410.10928	17.1
440.15686	2.7
452.12048	3.5
470.13113	2.1
485.12018	1.1
512.14117	11.1
518.15302	1.1
530.15497	1.0
545.14142	3.1
584.19769	1.1
587.15533	2.5
617.16718	0.9
647.17578	1.0
707.19537	63.9
708.19891	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	707.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03453	2.9
58.00583	0.3
59.01389	14.2
66.47594	0.2
67.01907	0.4
68.99830	0.5
69.03467	0.4
71.00992	0.3
71.01388	12.0
72.99313	3.9
73.02943	1.0
75.00876	14.0
75.87873	0.2
81.03442	0.3
83.01400	1.2
85.02962	18.0
87.00883	6.7
89.02442	4.0
92.12453	0.2
92.65379	0.2
93.03477	0.3
95.01395	4.2
96.96027	1.9
97.34090	0.2
99.00884	8.0
101.06086	100.0
102.06429	1.6
103.00356	1.4
111.00880	0.5
113.02456	17.1
115.00375	1.7
117.01949	3.5
117.03413	0.3
121.02874	0.3
127.00403	0.3
129.01953	1.5
131.03496	0.3
145.02968	1.4
146.06070	0.3
157.01482	0.5
160.01660	1.2
161.02463	0.3
162.05658	0.3
169.01422	0.2
170.64345	0.3
175.02480	1.9
175.04005	1.4
193.05162	0.3
205.07240	0.3
231.05215	1.6
249.06177	12.4
267.07205	1.3
291.10709	0.3
333.11911	1.2
351.13007	98.8
352.13409	2.1
355.10477	0.4
420.26370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45984	0.8
57.93642	0.9
59.01116	0.9
59.01387	26.2
61.98833	1.1
71.01037	1.5
71.01383	28.1
72.99279	1.7
73.02924	4.1
75.00893	1.4
82.69305	1.0
83.01396	1.2
85.02958	8.2
85.29751	1.3
87.00861	12.6
89.02438	22.3
91.01852	1.5
93.03445	5.0
95.01358	1.3
96.95979	5.3
97.02937	2.4
101.02431	19.3
102.34971	1.0
111.00908	1.6
113.02461	12.7
119.01365	2.2
119.03500	1.8
119.04996	1.1
121.02975	8.6
123.00867	1.7
125.02396	1.4
131.03554	1.0
133.02945	1.2
134.03691	4.4
135.04539	2.0
137.02425	4.1
143.03485	4.6
147.04515	5.0
149.02440	62.3
152.01205	1.6
160.04086	1.3
161.02444	2.2
161.04585	4.5
162.05614	4.8
163.03972	2.5
164.04791	58.2
164.06183	1.9
165.01904	1.4
165.05330	1.9
168.55260	1.2
175.00349	31.4
179.03537	1.2
179.05592	3.7
179.07123	7.4
182.02234	2.1
188.03502	2.6
190.02718	92.3
191.03304	5.1
191.05647	1.4
193.01382	1.7
193.05006	1.8
203.05629	4.9
205.05072	100.0
206.05664	5.2
208.03787	9.6
221.06590	6.4
221.08276	4.8
223.06136	69.4
224.06509	2.4
237.07692	1.8
253.10674	1.5
265.07172	12.8
295.08234	5.1
325.09338	4.4
340.37103	1.1
369.72815	1.2
385.11728	1.6
427.12527	10.6
457.13644	2.4
485.15106	2.6
487.14481	2.1
512.14813	1.3
547.16394	1.4
709.22046	62.2
710.22345	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	709.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06957	0.2
55.01880	0.5
56.71202	0.2
57.03453	0.4
58.00592	2.0
58.19122	0.2
59.01383	46.9
59.98738	0.2
60.58967	0.2
61.36858	0.2
71.01377	22.6
71.05032	0.3
72.99302	1.9
73.02952	0.9
75.00870	0.2
83.01387	1.4
85.02947	5.0
87.00890	0.6
87.09515	0.2
89.02434	33.2
90.02747	0.2
92.11716	0.4
95.01373	1.8
96.95989	0.5
101.02428	18.9
113.02438	11.7
113.35928	0.3
115.04013	0.5
119.03484	14.7
120.03889	0.2
131.03514	0.9
131.23195	0.2
133.05040	0.5
143.03508	1.1
149.04562	1.2
151.54366	0.3
159.58018	0.2
160.04027	0.5
161.04541	0.8
162.01929	0.2
162.05597	2.7
179.05641	1.1
206.04572	2.0
232.66058	0.2
295.10345	100.0
296.10602	2.2
310.06671	0.2
367.12256	0.4
368.09653	0.9
435.72931	0.2
512.17682	0.3
598.42230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94929	0.3
57.03445	0.6
59.01386	0.9
60.26998	0.3
61.98820	2.5
69.03461	0.7
71.01413	0.4
72.57651	0.4
74.65172	0.4
75.04574	0.4
83.05021	1.9
85.02908	0.4
92.12315	0.6
95.05012	7.0
95.65914	0.4
97.46053	0.4
99.08147	12.9
120.25273	0.4
121.10213	0.6
125.09724	2.8
127.11332	0.7
137.09740	0.9
139.11250	0.5
153.85356	0.4
163.11336	0.5
165.12852	0.9
171.10260	11.8
175.11333	0.8
187.11131	0.5
189.05310	1.7
193.08507	5.9
193.12332	22.7
197.15521	0.6
209.08090	0.5
211.13469	4.8
215.10564	9.0
225.14983	33.5
226.15309	0.6
227.04128	0.4
231.10016	0.8
232.10777	1.9
233.11557	3.8
237.11243	0.5
243.15993	14.1
247.13136	2.5
259.09448	1.0
264.09784	23.2
265.10315	0.6
265.14258	2.0
279.12170	4.6
279.23395	0.8
293.21341	2.1
309.13208	2.3
311.22598	0.6
343.24927	100.0
344.25241	4.1
351.74130	0.4
365.23260	4.3
409.22238	1.9
446.28644	0.5
516.73730	0.6
615.83740	0.5
709.48834	36.7
710.49054	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	711.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65308	1.4
59.01381	14.1
60.69929	1.4
65.97100	1.2
71.01381	3.7
71.25390	1.3
73.86140	1.3
78.95892	19.9
89.02443	8.9
92.12356	1.6
101.02457	3.5
101.69177	1.4
110.98544	9.9
113.02457	3.4
138.27335	1.7
167.01166	2.9
235.08272	2.2
277.21643	24.2
279.23297	98.2
280.23624	17.5
281.24857	100.0
397.13577	40.8
415.14737	11.4
675.36407	2.1
711.33905	37.9
711.48273	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33294	0.9
59.01377	20.7
71.01374	13.7
73.02928	1.4
73.04284	1.0
78.95898	15.3
85.02962	1.5
87.00845	2.5
89.02431	15.3
93.57844	1.0
97.02940	1.5
97.92908	0.9
98.71271	1.3
101.02435	10.8
110.98524	11.1
111.21426	1.1
113.02428	4.3
119.03457	2.6
125.02448	3.9
150.64120	1.0
152.99619	2.4
161.04691	1.4
167.01201	2.5
220.06558	1.1
235.08261	2.6
241.01462	1.1
253.21722	23.9
253.24097	1.9
277.21707	20.5
279.23291	96.3
280.23660	14.6
281.24850	100.0
297.15219	1.7
305.08740	1.4
397.08713	2.1
397.13556	48.7
415.14569	12.5
431.25391	1.9
447.25037	1.8
449.26846	2.5
595.28662	1.8
675.36322	4.2
682.66394	1.4
711.33936	26.5
711.47809	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	711.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04979	0.9
58.96761	1.0
59.01375	6.8
61.98820	1.5
69.22123	1.2
71.01362	5.7
73.02937	1.1
78.95896	22.2
80.47279	1.4
80.47764	1.2
89.02428	5.2
96.96006	5.5
97.79945	1.1
101.02393	5.5
110.98517	14.1
113.02425	1.4
124.54977	1.1
125.02458	1.2
150.71544	1.2
152.99590	2.2
161.04460	1.3
167.01155	3.0
235.08060	1.5
265.14859	9.9
277.21768	24.2
279.23297	100.0
280.23682	19.7
281.24863	83.3
297.15231	1.7
397.13455	25.0
415.14645	11.8
447.25143	2.3
675.36261	2.1
711.34106	21.1
711.48553	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	711.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54906	1.2
55.01884	1.4
55.80782	1.1
56.69489	1.1
59.01384	80.1
60.84116	1.1
61.98847	1.5
71.01373	38.6
72.99306	1.8
73.02941	10.8
78.95919	1.4
83.01383	5.2
85.02946	18.8
87.00880	1.5
89.02439	25.5
95.01387	2.7
97.02895	1.5
99.00854	2.4
100.27727	1.0
101.02432	31.9
102.01839	1.1
110.98529	1.9
113.02442	15.3
119.03479	10.3
159.02960	2.1
161.04507	8.4
161.55240	1.4
162.05547	2.4
179.05655	1.5
212.72714	1.3
279.23300	17.9
281.24875	14.8
320.49570	1.2
325.12061	1.2
441.33701	2.4
489.35770	2.4
651.41199	100.0
652.41193	10.4
711.49951	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	713.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48592	1.3
57.14019	1.1
59.01382	12.6
59.08295	1.2
71.01381	9.3
78.95898	10.3
79.72266	1.2
83.65451	1.3
85.02936	1.9
87.00857	1.3
89.02431	9.0
101.02435	7.4
110.98539	11.9
113.02428	5.5
119.03513	1.4
125.02461	1.7
145.95305	1.3
147.09821	1.4
167.01151	2.7
207.53835	1.6
235.08215	2.9
255.23277	2.8
279.20657	1.4
279.23291	50.4
280.23590	12.7
281.24860	100.0
282.25244	14.2
283.25485	1.6
305.08826	1.5
397.13528	49.9
415.14572	12.4
449.26703	2.9
677.37549	7.0
713.35272	34.4
713.50647	11.1
713.61786	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	713.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72996	2.1
55.76633	2.3
59.01384	29.7
59.06861	2.6
70.03815	2.8
71.01380	17.4
73.02934	2.7
78.95911	13.7
89.02430	19.1
101.02422	13.3
110.98524	4.7
113.02398	3.8
119.03493	3.1
125.02414	4.3
126.30330	2.8
161.04547	3.1
179.05623	3.5
180.14203	3.5
195.52580	3.6
279.20395	4.3
279.23325	80.5
280.23349	4.7
281.24899	97.7
282.25146	6.6
397.13556	92.4
415.14734	23.8
677.37616	13.9
713.35370	100.0
713.49188	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	713.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39604	1.7
59.01387	21.0
71.01380	14.8
72.08582	2.0
74.79005	2.1
78.95905	8.9
85.02972	3.5
85.77510	2.0
87.00871	10.1
89.02438	17.5
98.17236	2.2
101.02435	17.9
110.98543	5.2
113.02445	10.6
119.03518	4.3
125.02402	8.5
152.99503	2.6
161.04485	3.0
172.23877	2.2
178.95856	2.4
179.05701	2.3
212.42566	2.5
212.98277	2.4
227.37192	2.0
235.08180	9.2
247.83209	2.3
279.23328	90.8
280.23624	9.6
281.24875	100.0
282.25174	3.4
305.08640	3.9
397.13510	55.8
398.13376	2.9
399.29233	2.3
415.14594	47.3
677.37567	12.2
713.35449	80.7
713.50146	11.9
714.35065	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	713.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82458	0.4
55.01878	2.7
57.03456	1.1
58.00593	2.0
59.01389	42.6
62.57274	0.5
69.03462	1.2
71.01389	30.7
72.99310	1.8
73.02952	5.4
78.95901	1.9
81.03440	0.9
83.01415	3.4
84.36080	0.5
85.02950	7.9
87.00878	6.2
89.02443	29.7
91.04012	0.5
95.01391	1.8
97.02937	4.3
99.00842	2.2
101.02438	23.7
108.90199	0.5
109.02929	0.6
110.98560	0.7
113.02447	11.6
115.88901	0.5
119.03474	7.0
125.02432	8.5
131.03493	0.6
133.05069	0.6
143.03525	3.9
149.04567	0.8
161.04523	4.1
179.05588	3.0
186.40408	0.5
217.07201	0.9
221.06633	1.9
235.08269	9.8
253.09218	0.8
255.23306	100.0
256.23566	2.3
263.07852	1.0
279.23257	1.8
280.23624	0.8
281.24841	20.1
282.25192	1.2
286.56134	0.6
287.07712	1.1
305.08807	2.5
311.68115	0.6
397.13513	79.3
398.13882	0.6
415.14578	22.7
528.87988	0.5
632.05585	0.5
653.37854	5.5
713.50909	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	713.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66499	0.5
54.82662	0.4
55.01876	0.9
55.63407	0.5
57.03450	0.7
58.00586	0.7
59.01387	33.4
69.03444	1.0
71.01382	29.4
72.99299	1.1
73.02947	7.5
75.00864	0.8
78.95889	3.0
81.03455	2.6
83.01399	5.5
85.02948	9.1
87.00346	0.9
87.00870	21.9
87.04507	0.6
89.01887	1.0
89.02438	25.1
95.01366	3.3
97.02921	5.0
99.00855	2.3
101.02436	31.7
110.98524	1.1
113.02446	18.2
119.03499	6.6
121.02898	0.5
124.01602	0.7
125.02431	12.6
131.03508	0.8
143.03528	6.2
149.04657	0.6
161.04543	5.8
179.05571	4.3
199.03149	0.5
203.05592	0.7
221.06735	2.2
222.93971	0.5
235.08264	9.5
239.23878	0.5
245.06662	0.5
253.09358	7.2
255.23317	100.0
256.23688	2.6
269.24924	5.2
279.23352	5.3
280.23734	1.9
281.24866	23.0
282.25253	1.8
287.07736	4.5
305.08841	5.5
323.09885	2.2
379.17398	0.5
397.13547	66.2
398.13943	2.2
415.14621	37.6
416.14636	0.6
470.07831	0.5
653.37299	5.4
713.51056	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	713.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82660	0.7
55.01881	1.2
57.03464	0.8
57.63099	0.6
58.00602	0.5
59.01386	43.3
65.14266	0.6
67.01890	0.6
69.03448	1.1
71.00983	1.1
71.01379	27.0
72.99298	1.6
73.02948	5.5
75.00832	0.5
78.95908	3.4
80.39657	0.5
83.01377	3.6
85.02943	7.6
86.24476	0.6
87.00872	6.3
89.01884	0.9
89.02437	27.9
93.76416	0.7
95.01382	2.5
97.02921	5.3
99.00852	1.5
101.02432	25.1
109.02981	0.7
110.98515	1.1
111.04527	1.0
113.02441	10.6
119.03487	10.5
125.02435	8.5
139.04054	0.7
143.03477	2.7
154.72525	0.6
161.04593	4.3
179.05611	3.9
221.06648	2.4
235.08266	10.5
255.23297	100.0
256.23618	2.8
263.07855	0.9
279.23276	3.4
280.23575	1.4
281.24878	24.0
282.25162	1.4
287.07721	1.1
305.08786	3.8
397.13522	92.5
398.13757	2.5
415.14606	25.1
653.37653	7.1
713.50848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61633	0.1
83.05001	0.4
113.02009	0.2
160.16711	0.2
225.16142	0.3
418.03375	0.2
495.43338	0.2
677.49506	2.8
713.47485	100.0
714.47742	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	715.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43268	3.3
57.94821	3.0
59.01365	3.5
72.74865	3.3
78.95892	17.4
80.47118	3.7
87.29562	3.1
88.97805	3.1
89.02444	5.2
89.68484	4.1
92.12404	14.7
101.02448	4.7
109.69666	3.6
110.98524	6.3
152.99641	7.0
223.81398	4.0
255.23351	6.8
268.90631	3.9
281.24860	100.0
282.25266	54.7
283.25604	7.2
397.13522	31.6
415.14551	5.8
442.70163	5.7
641.91357	4.6
679.39270	5.4
714.50488	12.7
715.36841	27.8
715.51642	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	715.369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85786	3.1
52.18958	3.3
53.86131	3.4
54.18161	2.8
59.01395	44.1
61.98841	20.4
62.10627	3.2
64.43536	3.2
70.24944	3.5
71.01393	19.8
71.72125	3.8
78.95897	8.7
85.02948	5.3
87.00888	5.2
89.02434	21.3
92.11732	10.4
99.19936	3.6
101.02431	21.4
113.02422	8.6
124.04128	3.4
125.02416	4.8
149.23654	3.7
161.04575	5.0
168.16782	4.3
176.31921	3.6
223.91922	3.9
255.23357	25.8
256.23639	19.5
281.24863	100.0
282.25253	41.3
283.25784	5.3
318.99789	4.3
370.58331	4.0
397.13528	78.1
398.13940	9.3
399.14334	6.4
415.14569	20.7
652.36414	4.9
679.38477	7.5
715.37091	77.7
715.49481	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	719.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16700	0.5
53.84959	0.5
59.01379	2.5
59.17470	0.4
61.51699	0.5
62.41941	0.5
63.42047	0.5
64.28938	0.5
71.01378	1.4
73.02934	0.7
85.02946	0.9
89.02435	0.7
93.03441	1.3
96.95996	3.7
98.66154	0.6
99.00823	0.7
101.02442	0.7
113.02454	1.1
119.05042	0.8
132.04530	3.7
134.06099	0.8
137.02432	2.4
144.04561	7.6
146.06125	2.3
147.03290	4.7
148.04056	0.7
158.06000	0.6
160.04053	23.3
162.05623	100.0
163.05911	0.7
164.04791	0.7
167.03632	0.9
174.05630	1.0
177.04382	0.6
178.05069	1.0
186.05644	3.2
188.03545	49.0
190.05136	2.2
204.03038	1.1
204.06755	1.3
206.04619	68.6
207.04915	1.3
228.06650	0.8
230.04636	3.8
248.05681	16.2
278.06754	3.4
290.06833	1.4
308.07843	7.9
350.08801	7.1
368.09842	3.6
410.10986	9.5
499.85526	0.6
557.14386	2.3
641.16028	6.0
659.17542	6.5
674.27002	0.8
719.19147	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	719.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86291	0.2
59.01369	0.4
65.42755	0.2
66.27936	0.2
71.01333	0.2
87.00872	0.3
92.12269	0.4
101.02409	0.3
119.05008	1.5
120.04553	1.7
125.02449	0.3
132.04529	1.0
134.06107	2.1
144.04544	3.9
145.02907	0.2
147.03275	5.0
148.04082	1.0
158.06189	0.4
159.03230	0.5
160.04030	17.3
161.04846	1.8
162.05600	100.0
163.05959	1.4
174.05598	1.7
175.02702	0.4
176.03503	1.0
176.07162	0.3
178.05103	0.5
186.05612	1.5
187.02740	0.5
188.03522	18.2
189.03937	0.3
190.05066	1.0
202.05112	1.8
204.03033	0.4
204.06660	3.1
206.04591	45.6
207.04840	0.5
230.04639	3.2
246.94051	0.3
247.04834	0.5
248.05652	5.6
290.06747	2.5
350.08835	5.2
368.09744	1.3
410.11282	0.3
512.14203	2.3
557.14148	17.6
558.14276	0.5
599.15027	0.3
719.19348	12.0
720.19922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42664	0.1
54.61203	0.1
58.13729	0.2
59.01384	0.3
66.12241	0.2
75.00826	0.2
80.04624	0.2
83.33149	0.2
97.02909	0.2
101.02377	0.2
108.04512	0.3
113.02430	0.3
116.31511	0.2
119.05014	1.8
120.04509	1.6
125.02437	0.2
132.04510	1.7
134.06099	2.1
137.02412	0.4
144.04553	4.5
146.06071	0.4
147.03268	5.1
148.04062	1.1
151.04041	0.2
159.03276	1.0
160.04045	19.2
161.04834	2.3
162.05606	100.0
163.05971	1.1
174.05588	0.9
174.55382	0.2
175.02695	0.4
176.03577	0.7
176.07129	0.4
178.05081	1.1
186.05623	1.3
187.02811	0.8
188.03532	19.1
190.05116	1.0
200.07178	0.2
202.05217	1.6
204.03030	0.8
204.06689	3.3
206.04601	45.3
207.04947	0.7
207.66542	0.2
215.52687	0.2
228.06801	0.4
230.04607	3.3
247.04823	0.3
248.05640	5.9
249.05937	0.2
272.05698	0.4
290.06644	2.8
308.07959	0.4
350.08838	5.2
368.09845	0.9
410.11047	0.4
452.12665	0.3
512.14191	4.2
557.14160	16.9
558.14136	0.7
708.88733	0.2
719.19495	14.0
720.20111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00315	0.5
59.01107	0.8
59.01387	10.7
67.70165	0.6
71.01382	8.3
74.11728	0.5
77.80822	0.5
78.95879	1.1
85.02929	0.7
86.67652	0.6
89.02438	14.8
89.83471	0.6
90.89134	0.5
96.95972	0.8
101.02438	4.5
113.02406	4.9
119.03476	6.3
120.05267	0.6
143.03528	1.2
161.04535	1.3
179.05658	5.9
215.03319	3.6
221.60991	0.6
223.81422	0.6
341.10886	24.2
377.08572	100.0
378.09219	1.1
651.93671	0.7
683.87964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60677	0.3
57.35396	0.3
59.01106	0.6
59.01383	9.9
61.88732	0.4
71.01376	7.3
85.02935	0.6
89.02440	15.3
101.02448	3.5
113.02431	4.2
119.03481	5.6
131.03470	0.5
143.03510	0.7
149.04515	0.6
161.04585	0.7
179.05583	6.9
187.56406	0.5
195.01466	0.4
196.37300	0.4
215.03314	4.9
233.77670	0.4
341.10941	22.4
377.08600	100.0
378.08926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3818
Annotation	fumonisin B6
Peak:m/z	Relative Intensity
52.97533	0.3
56.48531	0.3
57.16706	0.4
59.01373	0.7
61.98836	4.3
62.59044	0.3
64.34418	0.3
69.03453	56.8
71.01377	9.8
74.62530	0.3
85.02935	3.6
87.04516	2.8
113.02441	25.4
115.00344	1.7
131.03470	1.6
134.03706	0.6
146.06146	0.7
157.01414	100.0
158.01811	0.8
175.02470	1.8
175.03905	0.5
179.33383	0.4
187.50072	0.5
188.03508	0.5
375.35220	0.4
501.19458	0.4
562.36023	22.1
562.44958	0.7
563.36450	0.8
572.76373	0.4
702.37067	1.6
720.38226	18.6
720.50488	0.7
721.38867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69067	0.4
53.03689	0.4
55.81171	0.4
65.93522	0.4
93.27141	0.5
97.93116	0.5
99.92586	100.0
100.92602	3.0
115.92075	9.2
116.92878	2.2
131.61813	0.4
131.91557	0.7
149.04333	0.6
151.64302	0.5
156.17805	0.5
392.20453	1.8
394.21878	2.6
410.21735	0.8
412.22900	26.8
412.28268	0.9
413.23218	1.9
426.20859	5.6
436.10904	0.5
460.48535	0.5
683.25732	0.6
702.48566	1.6
720.50427	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	720.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49093	0.7
79.35659	0.7
81.03449	3.6
83.05021	13.3
86.99419	0.8
92.12126	1.0
102.12291	0.8
133.02896	1.0
144.04596	1.9
146.06114	6.6
148.19083	0.8
160.04016	0.9
162.05586	4.3
176.51924	0.8
190.05170	4.7
207.14948	1.6
225.16121	10.7
342.62723	0.9
354.82010	0.9
433.31775	1.4
450.34769	1.2
451.32916	9.3
524.43396	0.8
677.49744	100.0
678.49713	12.0
720.49530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76065	0.3
55.81044	0.3
57.99227	0.3
59.01391	2.4
62.82187	0.3
64.16340	0.3
65.11556	0.3
67.51246	0.3
71.01385	2.5
89.02438	1.6
101.02425	2.6
104.05045	0.6
108.00672	0.3
113.02478	0.5
116.05014	0.3
117.03459	3.3
119.05029	0.4
120.04546	0.6
125.02441	0.3
131.03741	1.3
132.04558	4.7
134.06114	0.6
135.04527	3.7
141.23454	0.4
144.04576	3.4
146.06117	8.6
147.03287	1.8
158.06129	0.4
160.04044	100.0
161.04416	2.8
162.05611	27.1
162.89879	0.3
169.01476	0.3
172.04039	3.4
178.05101	8.2
188.03580	2.2
190.05121	11.0
206.04599	14.1
222.04076	5.1
232.06190	0.7
248.23233	0.3
262.07254	0.5
291.95544	0.4
292.08328	1.6
320.99686	0.4
337.15167	1.8
338.15536	0.5
352.10342	2.4
393.31671	0.3
394.11490	1.7
499.38019	0.3
514.15649	5.7
539.10229	0.4
639.47656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45359	2.3
53.98652	1.8
55.77972	1.8
59.01381	2.6
61.98814	3.5
62.04551	1.7
62.93041	1.6
71.01374	8.3
73.02946	2.6
79.79616	2.0
85.02924	2.5
88.97324	1.9
92.11746	4.5
96.95985	9.2
97.27188	1.9
116.05049	10.9
122.02357	2.9
128.05054	2.4
131.03606	3.0
134.03726	4.1
138.01958	27.3
144.04555	29.4
145.02931	2.5
146.05052	3.7
146.06128	70.8
148.00409	14.3
149.66287	2.2
152.03572	16.8
152.29066	2.0
153.04329	60.6
158.06155	2.3
160.04057	11.7
161.02344	2.6
162.05598	46.5
163.02765	14.6
165.00677	38.3
168.05354	3.7
168.06668	56.3
172.04086	20.0
178.05078	12.5
180.03043	52.7
181.03758	9.5
186.05580	2.6
188.03506	14.3
190.02708	2.6
190.05147	38.1
194.04616	3.0
196.06168	27.6
205.05089	2.8
206.04573	15.7
209.03316	29.2
210.04022	2.7
224.05678	100.0
232.06073	2.5
436.12961	2.5
496.14850	14.8
530.14893	3.7
548.15802	3.2
643.76703	2.9
721.20886	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70891	1.6
57.03453	2.3
59.01397	17.6
61.65662	1.6
69.03458	1.8
71.01370	3.0
78.95901	3.7
97.02943	9.8
104.54066	1.6
105.75928	2.0
113.16996	1.9
119.05067	9.2
134.03790	2.9
139.11250	8.2
163.11333	1.9
171.10287	9.5
185.11858	2.0
192.44649	2.0
211.13441	11.4
225.04652	2.9
227.06036	7.6
237.04617	2.2
241.07634	3.1
263.05948	4.6
265.07559	20.0
267.09113	21.2
269.04410	1.9
269.07050	14.2
293.21304	2.5
294.05676	1.7
309.06848	3.3
309.10223	36.1
311.08389	2.3
311.22363	4.2
321.10712	2.0
347.15485	3.0
349.17090	7.9
381.15833	2.8
391.18173	3.8
409.19153	50.5
421.19028	23.7
431.22107	2.3
433.22937	2.7
461.22406	25.6
521.27948	3.8
543.30121	9.3
561.31250	16.3
617.40356	3.7
643.38721	2.4
661.40076	100.0
662.40277	6.8
721.40802	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	722.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
58.67282	0.3
58.72140	0.3
58.94554	0.3
59.01373	1.6
59.54202	0.2
67.61483	0.3
68.94920	0.3
71.01373	0.4
71.05008	1.2
83.05047	0.6
89.02408	0.5
90.11262	0.3
93.03471	0.4
95.04985	0.6
97.02930	0.3
104.26821	0.3
105.07091	0.5
107.05044	0.4
107.83445	0.3
109.02946	2.8
109.06586	1.5
111.00839	0.5
111.04507	0.7
119.08639	0.5
121.06591	0.5
122.03699	1.3
123.04561	0.3
124.05269	4.0
125.06059	5.5
133.02927	4.6
133.06621	0.3
134.03734	0.6
135.04503	12.4
137.02438	0.6
139.07643	6.2
147.08151	32.1
148.08427	0.4
149.06049	1.9
149.09679	2.0
151.07634	3.9
155.10767	0.3
157.06613	0.5
158.07350	4.5
161.02426	19.2
161.06064	1.9
162.05592	0.6
164.08426	9.8
165.09193	41.2
166.09554	0.5
173.08311	0.5
173.09712	11.1
175.07617	3.2
176.08382	1.3
179.03479	3.0
182.05879	1.5
189.09081	0.5
191.10777	47.0
194.09413	0.4
200.64749	0.3
207.10291	0.6
208.07396	0.5
209.11838	37.1
210.12302	0.7
216.26039	0.3
253.07173	22.9
253.10796	100.0
254.11275	1.3
577.87964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85487	0.3
59.01382	2.1
61.98827	0.8
63.67691	0.3
69.03472	0.4
71.01382	3.9
72.99303	8.7
73.02946	1.4
81.29120	0.3
83.01415	0.6
85.02945	2.2
87.00860	0.8
92.12402	0.7
97.02908	0.7
99.00869	0.5
100.27560	0.3
101.02434	1.9
105.02177	0.6
110.67373	0.3
113.02463	0.7
119.01424	0.4
119.05006	1.6
120.00887	1.4
120.04517	0.6
121.01682	3.7
121.02459	0.3
121.02950	0.6
122.02480	6.9
123.03281	0.7
125.02446	5.5
131.03598	0.5
132.04536	6.5
132.69292	0.3
133.01663	1.8
133.02914	0.6
134.03725	7.1
134.06099	1.8
135.04520	0.6
136.00403	0.7
137.02379	1.4
138.05626	2.7
139.04001	0.3
144.04552	10.2
146.06094	0.8
147.03267	3.9
147.04424	0.8
148.04071	3.6
149.01186	76.0
149.06075	2.7
150.01608	0.7
150.90388	0.4
158.06174	0.6
159.03224	2.0
160.01694	3.3
160.04036	39.8
161.02457	1.4
161.04686	2.9
162.05608	100.0
163.05923	2.6
164.03528	23.8
172.04022	0.6
173.03529	1.2
174.05577	1.3
175.00375	1.8
175.02736	0.4
175.04005	3.8
176.03464	1.2
176.04800	0.8
176.07166	0.5
178.02759	4.6
178.05084	5.7
186.02017	1.3
186.05597	1.8
187.02766	7.2
188.03535	62.3
189.03897	1.6
190.02748	4.8
190.05107	2.0
191.03508	0.5
191.07158	0.6
192.03044	2.3
193.05052	12.9
202.05133	1.7
204.03003	2.3
204.06639	3.5
205.05093	3.4
206.04596	76.1
207.04979	1.5
223.06187	0.7
230.04587	6.5
235.06168	0.8
248.05644	21.6
249.05934	0.6
260.78162	0.4
278.06699	6.5
290.06720	1.5
308.04257	0.5
308.07803	15.2
325.08243	1.5
350.08728	2.0
353.08722	0.5
355.09592	0.4
367.10284	3.4
368.09882	8.8
369.10159	0.5
410.10953	23.2
411.11404	0.5
440.12131	3.4
452.11993	4.9
462.63275	0.4
470.13184	7.4
494.12802	0.4
512.14178	12.2
513.14526	0.7
530.15118	5.3
561.16144	8.9
586.13947	0.4
723.19067	8.8
724.18695	0.5
741.32373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40815	0.4
53.00705	0.3
59.75957	0.3
60.33459	0.3
72.99300	2.2
81.03473	4.5
83.05035	16.4
95.16894	0.3
108.04559	0.4
122.02497	0.5
125.07181	1.8
127.61021	0.4
132.04602	0.4
137.01250	0.4
138.05603	1.6
139.55270	0.4
143.08243	0.4
144.04553	0.5
146.06128	2.5
152.03546	1.3
162.05563	0.6
172.04112	0.4
190.02705	0.4
190.05142	3.4
194.04675	0.4
207.14990	1.6
223.06213	0.4
224.17664	3.4
225.16132	12.2
242.18721	0.6
309.21799	0.8
324.26590	0.5
333.23068	0.5
341.29251	0.6
367.27295	0.6
385.28592	0.7
394.11539	0.4
433.31689	1.4
450.34811	0.8
451.32959	7.5
550.43201	1.4
593.44659	0.4
659.48987	2.4
677.49792	100.0
678.50134	9.8
680.50854	0.7
723.49951	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55865	0.5
56.05384	0.5
59.01390	4.5
61.98831	7.4
63.02399	4.8
64.68616	0.5
65.00325	11.1
70.48058	0.6
71.01366	3.5
74.43857	0.5
75.00855	2.5
83.01389	9.8
85.02936	1.5
87.00870	0.7
87.19347	0.6
89.02393	0.7
92.11685	0.8
92.12199	3.2
95.01340	0.7
96.95978	0.8
99.00802	0.9
101.02457	1.1
107.01382	20.8
108.02159	3.0
111.00945	0.6
113.02419	2.7
123.04489	1.5
125.02438	5.9
133.02934	1.2
134.03734	25.9
135.04500	1.5
136.01608	2.6
137.02431	1.0
144.04530	0.9
145.02937	1.0
146.06070	1.4
149.06061	17.5
151.00363	66.5
152.01093	0.9
160.04010	3.0
161.02377	3.2
162.05597	8.1
163.05971	0.7
164.01132	7.4
165.01759	1.8
167.03499	0.7
169.01436	4.5
174.03232	2.4
175.03938	1.5
177.01927	5.4
188.03503	5.1
190.05103	2.5
191.07050	0.6
196.00197	4.5
199.03914	1.1
206.04573	4.1
213.05396	0.8
215.03505	1.2
215.07056	0.9
217.04938	1.1
242.05888	1.3
248.05345	0.9
252.93263	0.7
257.08124	1.2
286.04852	4.4
301.07184	100.0
302.07455	1.5
330.53995	0.8
379.08826	0.8
681.16742	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71456	0.2
57.03455	0.9
59.01381	0.9
67.06733	0.2
67.12315	0.2
69.03456	0.2
71.05024	0.4
78.95886	0.4
83.05032	0.4
97.02937	0.8
97.06576	0.5
99.08133	0.9
113.09720	4.9
116.92830	0.4
121.10213	1.6
125.09670	1.1
127.11274	1.5
137.09711	0.9
139.11278	16.1
140.11517	0.2
149.09691	0.3
151.11328	0.3
153.09206	0.9
153.12827	0.4
155.10764	1.2
163.11316	1.0
165.12859	0.5
167.10741	0.5
167.14333	0.4
170.51709	0.3
171.10258	19.2
177.12837	0.4
179.10713	0.4
181.12286	0.3
183.13895	0.9
185.11818	1.0
193.12317	1.0
195.13908	1.1
197.11856	0.4
201.11330	0.3
211.13412	4.1
225.14899	0.4
249.22235	2.7
265.21716	0.9
275.20163	1.0
279.22998	0.3
293.21228	32.3
294.21619	1.0
311.22278	100.0
312.22690	2.3
533.13141	0.3
562.84546	0.2
665.43158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92381	0.6
54.82930	0.7
58.00597	0.6
59.01111	1.0
59.01394	19.9
60.89669	0.6
62.40165	0.6
64.05772	0.7
68.64140	0.6
70.30356	0.7
71.01389	9.3
72.99296	3.2
73.02976	0.7
75.00871	3.5
77.09747	0.6
81.30585	0.6
85.02946	1.7
87.00856	0.9
89.02454	9.0
94.70072	0.6
95.01387	1.2
96.95992	5.2
101.02441	7.7
113.02444	4.0
116.05056	8.6
119.03478	1.3
142.06627	91.8
143.06967	1.5
144.04587	0.8
144.98672	0.9
146.03786	1.3
146.06102	1.5
158.06097	11.5
162.05597	2.6
167.03496	1.2
179.10710	1.1
186.05605	48.9
187.05821	1.0
190.02800	1.2
204.06682	30.7
205.05118	1.2
218.02243	1.0
223.09811	0.9
233.04488	1.4
234.93645	0.7
246.07532	1.1
265.10791	1.2
357.00400	0.8
366.11969	100.0
367.12344	5.8
381.34076	0.8
652.46265	0.8
726.24451	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92727	0.3
55.01867	0.6
57.03440	0.7
58.00586	0.7
59.01384	42.7
60.99308	0.4
62.09855	0.4
66.81692	0.4
71.01379	17.6
72.99299	1.8
79.05517	0.6
83.01392	0.8
85.02947	5.1
88.95093	0.4
89.02437	23.2
93.03432	0.5
95.01365	0.7
96.95989	0.7
101.02433	13.1
107.94634	0.4
113.02438	7.3
119.03479	8.9
119.04971	0.5
130.42043	0.4
131.03572	0.4
137.02425	0.5
147.11803	2.9
153.89282	0.4
161.02492	0.5
163.04015	0.6
167.03470	0.6
171.89119	0.5
179.05606	1.7
191.05647	1.7
191.10753	1.0
201.13403	0.4
209.11836	22.5
210.12233	1.0
216.64488	0.4
224.28160	0.4
333.04721	0.4
375.26355	0.5
389.18192	100.0
390.18597	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	727.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71079	0.2
70.65089	0.2
78.95902	0.5
92.11581	0.5
93.03441	1.4
96.96007	5.3
117.03467	15.7
119.05022	100.0
120.05329	1.7
121.02937	1.1
132.05824	0.5
138.03241	0.3
145.02963	35.1
146.03384	0.4
162.03229	0.4
163.04015	57.5
164.04329	0.6
177.05620	1.1
200.08105	0.3
201.05630	0.5
203.03452	0.4
204.95015	0.3
277.08884	0.3
293.04510	0.5
299.05756	0.6
307.05853	0.3
323.09085	0.3
324.06790	0.4
335.05789	0.3
339.08810	3.3
351.08762	0.6
354.11200	1.7
369.09711	0.4
397.09549	0.3
398.10312	0.6
413.12238	0.6
440.94638	0.3
441.26843	0.3
485.12402	1.4
500.14456	0.4
515.17584	1.2
531.16638	0.4
533.17999	1.2
545.18280	28.5
546.18695	1.3
563.19324	0.5
636.42053	0.3
679.22638	0.4
701.93610	0.3
709.23108	3.4
727.24109	16.7
728.24738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03960	0.4
93.03453	1.4
107.05017	0.3
117.03466	40.2
118.03777	0.2
119.05020	100.0
120.05362	1.1
121.02982	1.6
123.00893	1.6
123.04519	0.8
124.01653	0.3
131.05016	0.3
133.02950	0.3
138.03244	0.5
139.00377	0.3
139.03993	0.3
145.02959	72.2
146.03308	0.8
147.04562	0.3
151.00385	6.5
152.01158	7.7
153.01868	0.9
159.04521	0.2
162.03206	0.4
163.04013	51.8
164.04385	1.0
165.01929	0.5
166.01297	0.4
166.02711	10.7
167.03491	4.2
175.03967	0.9
177.01915	0.4
177.05588	2.1
178.02675	0.4
179.03526	0.4
180.04286	0.3
181.05064	5.7
189.05597	0.3
195.06575	0.9
201.20125	0.2
203.03476	0.9
218.05785	0.3
241.45277	0.3
287.05823	0.3
302.08002	1.1
317.10388	0.4
323.09357	0.3
357.10049	0.3
369.09448	0.3
563.19244	1.4
581.20190	2.8
650.11530	0.2
712.21405	0.4
727.24066	76.7
728.24121	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	727.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05677	0.1
56.86521	0.1
68.89491	0.1
78.59060	0.2
78.89807	0.1
87.18556	0.2
91.05538	0.2
93.03436	1.1
96.96011	0.3
117.03455	7.4
118.01205	0.1
119.05015	100.0
120.05367	1.2
121.02937	1.7
123.04537	0.6
133.02957	0.6
145.02956	15.3
146.03328	0.2
149.02498	0.2
162.03209	1.3
163.04010	48.4
164.04355	0.6
177.01953	1.3
179.03415	0.2
192.04309	1.0
194.05841	0.2
195.06673	0.2
203.32869	0.1
207.06668	0.4
240.08896	0.2
245.28123	0.2
352.21689	0.2
357.59464	0.2
371.11389	0.3
581.20398	2.3
727.24017	8.2
728.24359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04784	0.3
54.82253	0.3
58.00586	2.2
58.99715	0.3
59.01373	0.4
61.98813	1.2
64.23071	0.3
68.25198	0.4
80.03675	0.3
97.06577	0.4
99.08141	13.3
103.30856	0.4
127.07586	2.7
129.09200	16.9
157.14665	0.3
163.57501	0.3
165.12885	0.4
183.13884	32.6
184.14204	0.7
195.13951	2.8
201.11188	0.6
211.13388	0.7
277.21698	3.4
281.24860	0.4
293.21219	0.5
294.21555	0.6
295.22815	8.8
311.22284	5.2
312.22626	4.8
313.23859	100.0
314.24091	2.1
337.34787	0.3
478.02643	0.4
666.43256	0.5
667.43561	0.8
739.52112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08169	0.1
55.21127	0.1
61.98819	0.1
62.41004	0.1
65.00867	0.1
67.46144	0.1
78.95901	48.6
92.12401	0.6
96.96339	0.2
96.96956	5.9
106.79310	0.1
133.45853	0.2
137.70509	0.1
142.15096	0.1
150.98016	1.8
152.99591	100.0
153.99965	1.0
163.19919	0.2
171.00652	2.9
206.25740	0.2
212.28192	0.2
279.23257	1.2
433.23654	33.2
434.23776	1.9
439.02567	0.1
478.43054	0.2
498.56717	0.2
504.32468	0.2
565.44727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97442	0.2
59.01381	0.3
61.98835	100.0
62.68832	0.2
67.28602	0.2
78.00639	0.2
92.12458	0.4
96.96017	1.3
112.50380	0.2
122.02488	0.3
134.03754	0.3
144.04576	0.2
145.02948	0.2
146.06139	0.5
149.06142	0.3
160.04016	0.8
162.05609	2.3
175.00256	0.2
175.04083	0.3
188.03644	0.4
190.05211	0.3
193.05052	0.3
206.04633	0.9
206.07095	0.2
223.06129	0.3
239.77708	0.2
277.24139	0.2
391.61624	0.2
746.50757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62038	0.3
60.99295	1.7
63.74940	0.3
66.56333	0.3
78.95884	1.7
92.11715	0.7
154.89853	0.4
173.01140	0.3
269.19150	1.8
271.20645	3.8
279.73376	0.4
281.24792	0.5
289.21753	6.5
315.19681	100.0
316.20105	2.6
406.77325	0.4
431.17786	0.6
442.74957	0.4
565.81000	0.4
703.05066	0.4
729.36908	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	729.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67930	0.1
54.82843	0.1
55.95249	0.1
60.13260	0.1
78.95900	55.0
80.96318	0.1
85.01427	0.1
96.96954	7.3
112.16807	0.1
128.04561	0.1
150.98022	2.3
152.99588	100.0
153.99939	1.0
155.00000	0.3
171.00647	3.7
200.56726	0.1
279.23297	1.6
297.97406	0.1
433.23642	30.7
434.23911	1.6
435.24628	0.4
580.60730	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	729.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
77.45824	0.2
78.95899	54.6
87.28400	0.2
90.84268	0.2
92.17284	0.2
95.06542	0.2
96.96954	7.0
146.93654	0.2
150.98010	1.7
152.99585	100.0
153.99922	0.7
156.10208	0.2
171.00650	3.1
180.53441	0.2
229.32547	0.2
281.24771	1.6
423.66693	0.2
435.25211	30.5
436.25513	1.7
541.22705	0.2
748.02496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
59.06533	0.3
71.01385	0.3
72.26540	0.3
84.14542	0.3
91.41650	0.3
93.03472	0.4
96.95993	1.1
107.05022	0.5
108.04527	0.3
119.04992	1.3
120.04552	2.4
132.04517	0.6
134.06096	2.9
144.04549	2.5
147.03265	7.5
153.99055	0.7
159.03110	0.3
160.04031	13.5
162.05605	100.0
163.05965	1.4
169.01392	4.2
169.87999	0.3
184.03763	3.9
188.03534	5.8
199.06096	2.3
206.04596	52.6
207.04895	0.5
221.96367	0.3
308.46722	0.3
464.51266	0.3
523.16803	0.6
555.55286	0.3
612.39624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82551	0.8
61.19648	0.8
61.98808	1.3
64.44717	0.9
67.85880	0.9
69.43980	0.8
70.80691	0.9
85.65997	0.8
89.06798	0.9
92.12392	1.1
106.04142	1.0
117.03459	21.5
119.05014	68.1
121.02962	1.0
121.40488	0.9
133.92049	0.8
134.03720	1.1
145.02950	100.0
198.11320	1.4
352.22516	1.3
352.55557	0.9
438.80771	1.0
464.34637	1.7
584.40491	10.7
610.39020	5.0
730.44440	51.8
731.45007	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82695	0.8
59.01383	2.5
59.22779	1.0
59.52151	0.8
60.60683	0.9
60.99316	1.0
61.98822	0.9
62.76262	0.9
65.53681	1.0
71.01376	2.2
72.99312	3.9
75.00847	1.1
85.02930	2.2
88.98800	7.1
92.12381	1.6
93.03453	74.9
95.01345	1.2
95.18940	1.1
96.95977	2.0
113.02453	4.3
121.02971	8.9
136.01608	1.3
137.02443	100.0
137.94604	0.9
138.02734	1.4
162.05637	4.5
170.68983	1.1
179.03496	10.3
249.06177	5.7
281.06586	6.6
337.81924	1.1
371.09872	10.5
419.09686	2.3
455.12186	1.4
593.14661	1.6
610.67029	1.2
635.15936	1.5
695.18359	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74585	1.0
56.86631	1.2
57.03437	1.8
59.01367	2.2
61.98822	1.8
69.03439	1.4
75.77544	1.1
80.08618	1.3
85.02940	10.3
93.00169	1.3
97.06587	2.2
97.16239	1.3
109.47976	1.3
119.05016	2.5
134.03773	1.3
137.09738	2.5
147.47032	1.5
157.96646	1.4
162.05597	2.7
171.10246	17.7
211.13454	18.9
213.09296	2.1
229.14532	11.5
239.12901	2.4
251.66068	1.4
291.19727	2.8
291.55847	1.4
321.21991	1.5
327.21802	100.0
328.21863	4.6
350.71112	1.4
439.18842	1.6
582.18500	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	733.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22759	0.5
59.93824	0.4
66.38824	0.5
68.09130	0.4
72.20185	0.4
78.95907	4.4
84.77070	0.5
85.94407	0.4
99.34960	0.4
99.87393	0.4
103.91206	0.4
108.71493	0.5
110.98513	2.6
152.99588	0.9
167.01097	0.8
185.02275	2.0
237.03273	0.5
253.21724	100.0
254.22093	2.7
255.23141	0.5
311.16937	2.4
315.16077	0.5
421.23685	25.3
421.29416	0.9
456.54694	0.5
609.50043	0.5
641.90631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26110	0.5
65.44523	0.4
67.54754	0.5
69.74767	0.5
78.95898	55.2
80.46271	0.5
88.79765	0.6
96.96942	6.4
150.98019	1.3
152.99579	100.0
155.94806	0.5
171.00642	3.4
255.23357	4.7
281.24768	2.0
423.25067	1.1
435.25204	34.5
436.25732	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96575	0.5
56.16736	0.6
59.01388	6.6
61.98835	12.3
71.01374	1.3
72.93298	0.6
73.02930	0.6
77.29230	0.5
78.95939	0.7
83.01400	0.9
87.00888	0.6
88.98811	2.7
89.03941	0.6
101.02454	1.2
105.16653	0.6
107.88127	0.6
122.02517	0.7
132.02156	1.3
133.02954	38.1
134.03767	0.7
135.04533	4.0
137.02385	1.2
144.04547	2.9
146.06168	1.5
157.11458	0.7
160.01692	1.0
160.04034	2.9
161.02452	100.0
162.02798	1.4
162.05635	7.5
169.01456	1.0
172.04071	0.9
175.04025	0.7
179.03545	0.9
188.03529	2.6
190.05060	1.2
206.04588	2.8
235.67723	0.8
303.59662	0.8
341.10904	1.0
383.12042	1.2
629.17328	2.4
671.07507	1.3
671.18341	27.5
672.19147	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	735.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.4
62.99326	1.1
71.01373	2.2
71.64966	1.0
85.63650	1.1
89.02427	1.7
101.02407	2.0
101.73970	1.2
117.03431	1.6
132.02165	22.7
133.02985	1.7
134.03723	23.1
140.02963	1.2
145.02995	2.6
146.06110	1.5
149.06082	2.4
160.01654	100.0
161.02390	2.2
162.05595	6.2
175.03984	98.9
188.03458	2.0
190.05016	1.4
193.05075	16.8
206.04605	2.6
472.62601	1.3
517.15753	1.8
541.15717	2.0
559.16675	5.3
591.55463	1.6
675.19440	4.9
693.20337	2.2
735.21246	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	735.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.2
61.98814	4.2
71.01369	5.4
73.02920	0.9
80.98569	0.8
85.02930	2.0
89.02412	5.1
90.27882	0.9
93.03439	1.0
101.02402	5.1
113.02464	1.2
117.03449	22.7
119.05010	11.7
122.02436	1.7
132.02176	9.3
133.02924	3.5
134.03729	8.5
135.04492	1.2
137.02390	1.5
144.04539	1.8
145.02948	100.0
146.06105	1.7
149.06090	1.2
160.01645	59.9
160.03987	3.9
161.02348	1.5
162.05586	8.8
163.04015	12.4
175.03989	69.9
179.83578	1.1
188.03487	4.9
190.05185	1.3
193.05016	10.9
206.04547	5.1
229.12462	1.2
251.25842	0.9
267.76413	1.1
283.10361	1.2
307.08337	8.0
337.09259	5.0
397.15015	16.7
427.16074	19.1
542.21149	1.1
735.25098	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.6
57.03458	2.3
58.00605	1.3
59.01390	60.4
68.99836	0.3
69.03468	2.5
71.01382	40.3
72.99297	2.7
73.02947	8.2
75.00879	0.4
78.95904	1.8
81.03455	1.9
82.95401	0.4
83.01376	5.0
83.05019	0.6
83.23071	0.3
85.02943	9.8
86.00118	0.4
87.00863	8.3
87.93513	0.3
89.02436	34.2
92.12425	0.3
95.01381	3.5
97.02932	6.7
99.00858	2.2
99.04512	0.4
101.02429	29.8
103.00359	0.4
109.02903	0.5
111.00864	0.7
111.04545	0.7
113.02440	13.5
115.03975	0.5
116.92860	0.4
119.03484	9.2
121.02977	0.5
123.00909	0.3
124.01627	0.3
125.02440	11.2
127.07661	0.4
128.29185	0.3
131.03497	1.4
133.05096	0.7
135.58580	0.3
137.02449	0.3
137.18109	0.3
139.04028	0.5
143.03482	4.6
149.02556	0.4
149.04549	0.6
152.99606	1.6
161.04543	5.2
169.05183	0.5
179.05646	4.3
185.04636	0.4
203.05580	0.4
205.23700	0.3
221.06654	3.1
235.08202	10.9
239.98695	0.4
241.01167	1.1
253.09312	2.1
259.20700	0.4
263.07745	1.2
277.21719	100.0
278.22101	2.2
279.23325	1.4
287.07645	3.4
305.08856	3.7
323.09839	1.6
337.38269	0.3
377.11731	0.4
379.12546	0.3
383.55240	0.3
385.19266	0.4
397.13522	85.3
398.13892	1.3
415.14615	28.4
482.62445	0.3
543.24329	0.4
595.28693	0.7
675.35870	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	735.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03448	1.5
58.00586	1.9
59.01385	55.5
69.03458	1.8
71.01379	35.5
72.99296	2.2
73.02948	7.1
74.29854	0.3
75.00871	0.8
78.95916	0.7
81.03456	1.6
83.01392	3.8
83.36545	0.4
85.02948	8.1
87.00871	7.8
89.02440	36.2
91.04046	0.5
95.01382	2.8
96.96008	0.4
97.02953	6.5
99.00873	2.7
101.02439	30.3
103.04014	0.4
107.78597	0.4
109.02966	0.5
111.00904	0.5
111.04544	0.7
112.01632	0.4
113.02456	14.3
119.03498	8.1
121.02932	0.5
124.01691	0.4
125.02434	12.3
131.03474	0.7
133.05064	0.6
139.03990	0.7
143.03526	3.1
149.04518	0.5
152.99591	2.0
161.04549	4.6
167.03520	0.4
179.05629	4.2
185.04538	0.4
221.06660	2.4
235.08260	11.2
235.56963	0.4
253.09277	2.1
263.07669	0.9
265.14734	0.6
275.20059	0.6
277.21732	100.0
278.22040	2.8
279.23227	1.5
287.07574	2.5
288.39221	0.4
305.08701	2.5
323.09775	0.7
361.11417	0.5
379.11990	0.6
397.13516	85.5
398.13818	2.0
415.14597	30.1
434.98099	0.4
483.17291	0.4
595.28809	2.3
675.35522	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	736.211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05270	0.6
59.01376	1.2
60.00758	0.7
61.98824	1.1
63.74157	0.6
71.01382	3.0
73.02934	3.4
75.00890	0.8
85.02968	1.1
87.00887	0.8
92.12431	0.8
94.84448	0.7
97.02927	1.3
99.00862	0.8
101.02439	3.4
107.84499	0.7
113.02428	3.1
119.05007	0.7
120.04524	1.0
125.02419	2.9
132.04573	5.6
133.03030	0.9
134.03790	1.0
134.06052	0.8
137.02454	0.9
139.97427	0.8
144.04539	11.4
145.02888	1.0
146.06102	4.1
147.03256	4.3
148.04094	0.8
149.02438	3.5
155.72589	0.9
159.03270	3.3
160.04036	33.3
161.02437	1.5
161.04697	5.2
162.05606	100.0
163.05920	1.1
164.04778	3.0
167.03503	0.9
172.04074	1.0
174.05600	1.8
175.00278	0.7
178.05113	3.3
186.05603	3.8
187.02721	4.6
188.03537	46.1
190.02739	3.4
190.05249	1.3
202.05121	3.6
204.06625	5.3
205.05101	1.5
206.04608	58.7
223.06213	1.6
230.04642	9.3
248.05666	18.0
278.06747	3.4
290.06613	1.5
308.07748	7.8
350.08780	7.5
368.09937	1.6
401.14563	1.1
410.10944	2.7
434.11050	3.9
452.12012	4.4
512.14160	29.2
701.18329	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10283	0.3
59.01384	2.6
60.20547	0.4
71.01376	4.4
71.97746	0.3
73.02937	2.9
75.00849	0.5
83.01389	0.7
85.02948	2.8
87.00864	0.7
91.81553	0.4
93.03471	0.5
96.96041	1.4
96.96950	0.5
97.02916	1.6
99.00834	0.5
101.02422	3.6
103.66588	0.4
111.18336	0.4
113.02420	1.7
113.05254	0.4
119.04992	0.8
120.04549	0.7
121.02932	0.7
123.04501	2.5
125.02409	1.8
128.55498	0.4
131.03616	0.7
132.04536	5.6
133.02951	2.0
134.03743	0.6
134.06126	1.5
137.09160	0.4
144.04550	10.1
145.02985	0.4
146.06136	1.5
147.03287	5.0
148.04037	2.5
149.02452	5.4
158.06100	1.5
159.03264	2.4
160.04031	37.3
161.02486	0.6
161.04739	4.9
162.05605	100.0
163.05928	0.7
164.04774	3.1
174.05591	2.5
174.40752	0.4
175.00340	1.5
175.02754	0.4
176.03500	0.7
176.07126	1.8
178.05101	3.2
186.05563	4.7
187.02768	5.5
188.03528	50.5
189.03879	0.9
190.02689	3.5
190.05086	1.8
193.04842	0.4
202.05099	3.6
204.03018	1.9
204.06682	7.8
205.05057	3.0
206.04590	56.1
207.04961	0.8
223.06148	2.0
228.06662	0.9
230.04564	9.6
232.03242	0.4
247.04889	0.5
248.05644	20.0
267.24362	0.5
271.47009	0.4
278.06625	3.7
290.06638	4.6
308.07739	11.3
320.07706	0.5
349.09323	0.4
350.08862	9.2
368.09912	3.9
392.10251	0.5
410.10977	5.4
434.10886	4.4
452.12018	6.3
484.12527	7.0
494.12689	0.6
512.06390	0.8
512.14130	25.7
513.14380	0.9
574.15503	2.6
736.24609	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	737.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08574	0.1
57.69753	0.1
59.01371	0.2
64.34256	0.2
79.64040	0.1
101.05906	0.1
107.05018	0.2
119.05016	0.9
120.04543	1.2
132.04529	0.1
134.06108	1.3
144.04605	1.4
147.03252	2.9
151.03934	0.3
160.04036	12.4
162.05603	100.0
163.05951	1.8
167.94063	0.2
175.02892	0.2
176.03548	0.3
178.05267	0.2
179.11101	0.1
182.89882	0.2
188.03531	7.1
205.62288	0.1
206.04596	60.6
207.04903	1.3
368.09875	43.9
369.10184	1.4
651.75348	0.2
676.11230	0.2
719.60669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
56.14939	0.2
57.03444	1.1
58.00592	1.5
59.01386	42.9
63.86446	0.3
69.03456	1.9
71.01382	28.5
72.99296	1.6
73.02950	5.9
75.00867	0.5
79.46952	0.3
81.03437	1.5
83.01389	3.5
85.02950	7.3
86.00043	0.3
87.00870	7.4
87.04520	0.3
89.02441	28.4
90.46024	0.3
91.03999	0.4
92.11692	1.1
94.23395	0.3
95.01382	1.9
97.02945	4.9
99.00854	2.2
99.04514	0.4
101.02433	23.7
103.03992	0.4
109.02949	0.3
111.00875	0.3
111.04525	1.1
113.02447	10.1
115.04008	0.3
119.03500	6.6
124.01665	0.3
125.02441	10.1
126.35585	0.3
131.03520	0.5
133.05081	0.6
139.03970	1.2
141.01935	0.5
143.03513	3.7
149.04559	0.5
161.04538	4.9
179.05632	3.8
185.04489	0.5
203.05649	0.3
217.07285	0.5
221.06729	1.6
235.08229	8.5
253.09277	2.5
261.22504	0.3
263.07663	1.1
277.09229	0.4
279.23315	100.0
280.23669	5.3
287.07788	2.7
305.08835	3.8
323.09946	1.1
370.34570	0.3
379.12656	0.3
397.13544	73.4
398.14026	2.9
415.14636	26.1
416.14880	1.4
677.37415	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	737.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03442	1.7
58.00584	1.6
59.01386	36.9
66.47169	0.3
68.99805	0.5
69.03438	2.0
71.01380	29.5
71.68694	0.2
72.99281	1.7
73.02942	8.6
75.00853	0.7
81.03452	1.8
83.01384	4.2
83.05023	0.3
85.02467	0.6
85.02945	12.1
86.00095	0.3
87.00346	0.7
87.00870	17.0
87.04498	1.2
89.02437	24.9
90.36447	0.3
91.04004	0.5
92.11742	0.9
95.01381	2.7
95.05040	0.3
97.02943	5.6
97.98593	0.3
99.00877	2.5
99.38730	0.3
101.02428	28.6
109.02933	0.5
111.00882	0.4
113.02434	16.4
116.92878	0.3
119.03479	5.8
121.02918	0.4
124.01625	1.2
125.02425	11.7
127.03984	0.4
131.03522	0.7
137.02441	0.6
138.33713	0.3
139.04056	0.4
141.01901	0.5
143.03497	5.6
149.04561	0.5
161.04550	4.7
171.02965	0.4
175.91191	0.4
179.05598	3.6
185.04611	0.5
203.05672	1.3
221.06705	1.5
235.06013	0.4
235.08255	8.4
253.09283	6.6
261.22180	0.4
263.07748	0.6
279.23291	100.0
280.23590	2.0
287.07764	3.3
293.25037	1.2
305.08783	3.8
323.09885	1.5
331.07300	0.3
397.13525	51.4
398.13809	0.6
415.14597	35.4
492.43762	0.3
517.83685	0.4
677.37451	1.9
746.12317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34650	0.2
54.97765	0.3
55.01864	1.8
57.03429	1.3
58.00581	1.3
59.01386	49.1
60.01696	0.4
61.05554	0.3
69.03435	2.0
71.01377	29.5
72.99281	1.6
73.02929	5.9
74.78012	0.2
75.00834	0.4
81.03425	0.5
83.01377	3.1
85.02473	0.3
85.02946	6.0
86.00057	0.4
87.00867	5.2
89.02438	30.3
91.03940	0.4
93.03435	0.3
95.01352	2.0
97.02943	4.7
99.00834	2.0
99.04496	0.5
101.02431	22.3
109.02936	0.3
111.00826	0.4
111.04537	0.3
113.02441	11.6
115.03996	0.7
119.03483	7.9
121.02923	0.3
125.02433	8.3
133.05081	1.2
139.04002	0.4
141.01862	0.3
143.03502	2.8
143.63498	0.3
149.04567	0.5
161.04541	4.3
167.03506	0.4
169.05078	0.5
179.05606	3.3
185.04541	0.7
196.27634	0.3
203.65428	0.3
217.07018	0.4
221.06653	1.8
235.08240	8.5
245.06677	0.5
253.09267	2.0
253.21736	7.1
262.35797	0.4
263.07666	0.5
263.73465	0.4
279.23294	100.0
280.23633	7.4
287.07700	2.1
305.08792	2.5
323.09949	1.5
397.13525	78.1
398.13950	3.9
415.14606	25.7
415.20251	0.6
416.14987	0.7
421.23489	2.4
491.38925	0.3
677.37585	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	737.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33543	0.1
52.68139	0.1
53.66463	0.1
54.82808	0.1
58.02956	0.2
59.01388	18.1
67.95829	0.1
74.30712	0.1
80.05052	0.1
81.03004	0.2
81.03460	7.1
83.05034	24.5
85.33691	0.1
92.11667	0.3
100.07689	0.3
103.99860	0.1
107.06167	0.6
108.04568	0.8
112.67348	0.1
125.07188	1.9
126.05568	0.6
127.05744	0.1
140.56879	0.1
143.08237	0.8
146.06117	0.2
163.99840	0.3
169.13376	0.2
179.02226	0.6
185.05411	0.1
194.04625	0.2
199.18222	0.2
207.15025	2.3
222.16283	0.2
223.82497	0.2
224.17717	4.1
225.16115	18.0
242.18813	1.0
268.16614	0.2
291.20871	0.2
309.21707	1.2
313.39505	0.1
324.26617	0.9
333.22937	0.9
339.27716	0.2
341.29224	1.3
351.23975	0.2
367.27151	1.9
385.28305	0.5
433.31839	1.7
450.34589	1.8
451.32956	11.6
452.33008	0.2
517.37994	0.2
550.43317	1.6
555.02527	0.2
559.39697	0.7
565.44470	0.7
593.43939	0.8
659.48737	3.1
677.49792	100.0
678.50006	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	738.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06738	0.1
53.66650	0.1
59.01395	1.3
60.01709	0.1
61.36019	0.2
61.98841	100.0
62.94608	0.1
68.34526	0.1
71.01392	0.7
72.01711	0.2
73.02928	0.1
78.95905	1.4
80.96420	0.1
85.02990	0.2
87.00902	0.2
89.02478	0.6
96.96014	0.2
101.02460	0.8
105.02957	0.1
110.22279	0.2
119.03503	0.2
136.94983	0.2
143.03607	0.1
177.55766	0.1
178.96083	0.2
199.66985	0.2
265.14816	0.2
277.21671	1.0
278.22171	1.1
279.22650	0.7
280.99283	0.2
281.88879	0.2
397.13672	0.4
398.14142	0.8
399.13992	1.1
400.14413	0.2
416.15179	0.2
417.15225	0.3
452.82053	0.1
457.93701	0.2
731.85522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
60.01737	0.3
61.98840	100.0
71.01388	1.0
73.79419	0.2
78.95919	2.0
85.02927	0.3
89.02454	0.6
101.02466	0.9
119.03489	0.4
277.21878	0.9
278.21979	1.7
279.22989	1.0
280.99377	0.4
355.03220	0.4
356.03378	0.4
398.14114	1.5
399.14325	1.2
400.14493	1.0
417.15176	0.5
618.26575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
59.48676	0.6
60.45440	0.7
61.98827	3.3
62.02801	0.6
69.50107	0.6
71.01386	3.1
72.99308	1.3
87.00871	0.9
89.02447	1.0
93.03446	1.2
96.96000	0.9
101.02445	3.0
108.02199	0.8
113.02438	1.0
119.05039	0.9
120.04555	1.1
121.02975	0.9
125.02419	1.8
131.03682	1.0
132.04543	3.7
133.02910	0.8
134.06117	1.3
135.04558	1.2
137.02444	1.5
144.04543	13.2
145.02988	0.9
146.06105	14.1
147.03333	2.9
148.04036	3.2
152.01181	0.9
152.03697	0.9
160.04033	26.8
161.02452	2.8
161.04648	1.1
162.05606	100.0
163.05969	3.8
167.03500	1.2
172.03963	2.9
174.05626	2.6
178.05176	1.5
186.05573	3.3
188.03539	42.6
189.03854	1.5
190.05087	10.0
197.04517	0.7
204.03047	1.5
204.06659	1.2
205.05199	0.8
206.04601	63.8
207.04878	1.5
230.04597	5.4
232.05934	0.8
246.82680	0.7
248.05655	16.5
256.19812	0.8
278.06686	1.0
308.07736	3.0
350.08795	1.7
368.09930	3.1
410.11017	1.8
512.14136	10.7
541.14642	29.3
542.14984	1.7
583.15948	8.9
613.16467	1.1
643.18170	1.2
703.19604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.8
58.01247	0.9
58.42258	0.6
59.01114	1.1
59.01392	27.5
63.09446	0.8
63.74627	0.7
67.25060	0.6
69.03460	1.1
69.29428	0.6
71.01386	24.6
72.99301	1.3
73.02943	7.5
77.96613	0.9
81.03433	1.1
83.01376	3.3
85.02502	1.2
85.02959	10.7
87.00872	17.8
89.02437	20.9
95.01368	1.3
97.02921	3.9
99.00872	1.0
101.01772	1.0
101.02437	27.8
113.02447	15.2
119.03485	4.2
125.02433	8.9
131.03400	1.0
134.89420	0.8
143.03505	5.3
161.04556	6.1
179.05655	3.9
185.04477	0.8
235.08235	8.3
253.09259	5.7
263.07709	0.9
277.21686	1.2
278.22134	1.1
281.24866	100.0
282.25201	2.0
287.07660	1.7
295.26401	1.6
305.08740	3.7
397.13525	60.6
398.14142	1.5
415.14597	33.7
416.15100	1.1
679.39270	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	739.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03457	1.0
58.00604	0.9
59.01394	46.6
62.80652	0.3
64.34750	0.4
69.03456	2.5
71.01389	29.3
72.99297	2.3
73.02950	5.4
75.00900	0.8
81.03445	0.8
83.01389	4.3
83.05006	0.4
85.02957	7.6
87.00876	6.1
89.02444	29.7
91.03993	0.5
93.03445	0.4
95.01381	1.9
97.02937	5.4
99.00867	2.1
101.02435	22.5
109.02935	0.8
110.38829	0.3
111.04522	0.7
113.02440	11.6
113.33420	0.4
116.92799	0.4
119.03505	7.6
121.02955	0.6
125.02438	9.1
131.03510	0.7
133.05037	0.8
134.89436	2.0
143.03506	3.2
161.04543	4.1
179.05585	3.8
185.12160	0.4
187.42444	0.4
217.07362	0.5
221.06677	2.1
224.15520	0.4
235.08250	9.0
245.06735	0.5
253.09181	1.6
263.07767	0.6
281.24863	100.0
282.25220	4.1
287.07727	2.4
305.08856	3.2
323.10034	0.8
379.12573	0.5
393.50375	0.5
397.13541	74.7
398.13953	2.8
415.14594	23.6
490.30615	0.4
667.86798	0.5
679.39331	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	739.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07853	0.4
55.01873	0.9
57.03461	0.6
59.01385	39.3
69.03458	2.3
71.00987	1.0
71.01380	28.9
72.99299	2.1
73.02946	7.3
75.00842	0.7
78.95905	0.7
81.03478	0.9
83.01379	3.9
85.02948	8.0
86.22655	0.4
87.00856	6.5
89.02438	26.3
91.04002	0.9
95.01367	2.2
97.02937	5.6
99.00848	0.9
101.02430	20.5
103.04778	0.5
109.02936	0.7
113.02442	10.7
114.39512	0.6
116.92859	1.1
117.10938	0.5
119.03482	6.7
125.02435	8.4
131.03481	0.6
133.05081	0.7
139.03947	0.8
143.03505	2.9
148.75053	0.5
161.04568	4.8
166.97179	0.6
179.05637	3.2
185.04599	0.7
221.06699	1.1
235.08221	8.2
253.09286	0.9
255.23305	4.3
263.07684	0.6
281.24863	100.0
282.25189	4.9
287.07800	2.0
305.08856	2.7
397.13531	80.1
398.13760	2.3
415.14661	26.4
416.14978	0.7
423.25238	1.0
675.78278	0.6
679.39642	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	740.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.9
60.01742	0.3
61.01830	0.3
61.98840	100.0
71.01392	2.3
73.18851	0.3
82.21448	0.2
85.02977	0.3
87.00880	0.4
89.02444	1.7
94.87588	0.2
101.02434	1.3
102.02831	0.3
113.02458	0.4
114.02731	0.3
119.03519	0.4
125.02489	0.3
147.83211	0.3
262.75247	0.3
279.23260	4.9
280.23569	4.5
281.23978	2.3
282.24155	0.8
342.26511	0.2
378.12064	0.3
397.13675	1.7
398.14029	1.8
399.13986	3.0
400.14340	1.5
415.14658	0.3
416.15012	0.5
417.15143	1.0
418.15805	0.3
434.38727	0.3
465.34631	0.2
614.47559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97971	0.3
59.01384	2.2
61.98832	100.0
71.01384	1.6
72.39659	0.3
73.02940	0.4
73.46506	0.3
78.95875	0.3
85.02957	0.7
87.00880	1.0
89.02448	1.7
91.91927	0.3
97.02991	0.4
101.02443	1.4
113.02448	0.6
114.02840	0.4
114.39421	0.3
125.02427	0.4
181.06215	0.3
189.76929	0.3
242.32813	0.3
255.47678	0.3
271.42572	0.3
279.23276	3.0
280.23608	3.7
281.23892	2.1
282.24237	0.3
283.46262	0.3
294.11938	0.3
330.26212	0.3
354.59274	0.3
366.95724	0.3
397.13770	1.2
398.13904	0.6
399.13977	2.4
413.93027	0.3
416.15018	0.5
417.15347	1.3
418.15701	0.5
435.19922	0.4
748.64587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.1
59.01384	2.8
60.01712	0.2
61.98837	100.0
67.06277	0.1
71.01389	1.9
72.01721	0.1
72.99320	0.1
73.02938	0.3
78.95905	0.3
83.01398	0.2
85.02996	0.2
87.00856	0.2
89.02432	1.4
90.02804	0.2
97.02957	0.3
101.02457	1.4
105.92619	0.1
112.78958	0.1
113.02486	0.5
119.03510	0.3
125.02442	0.5
185.08981	0.1
194.28116	0.1
206.70280	0.1
235.08321	0.2
236.08862	0.1
277.21790	0.3
279.23334	2.8
280.23639	3.1
281.23990	1.6
282.24133	0.2
397.13474	1.2
398.14059	1.3
399.14035	1.7
400.14478	1.0
415.14377	0.2
416.15021	0.3
417.15344	0.9
445.23853	0.2
655.04340	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.1
61.98845	100.0
64.34381	0.1
64.68427	0.1
81.03486	0.4
83.05038	1.1
84.05366	0.2
85.01772	0.1
159.75841	0.1
193.10472	0.1
225.16168	0.7
226.16475	0.6
351.02954	0.1
353.15509	0.1
374.34781	0.1
452.33469	0.2
453.33743	0.2
454.34320	0.1
677.49524	0.1
678.49872	0.9
679.50311	2.4
680.50623	4.1
680.61475	0.2
740.49359	2.7
741.50110	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	741.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35985	0.3
61.98837	6.9
67.43540	0.4
74.01888	0.5
77.03975	3.1
78.95886	0.5
121.02946	100.0
122.03300	0.9
150.99945	0.4
164.86397	0.5
165.01930	35.4
166.02292	0.5
180.05806	0.4
181.06606	3.1
191.03494	0.8
223.70642	0.4
225.05562	2.0
313.07321	0.7
347.62329	0.4
350.95486	0.4
357.06161	5.8
456.28210	0.6
538.20728	0.4
562.36975	0.5
741.14923	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	743.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89031	0.6
58.49125	0.5
59.01397	5.2
59.01662	0.9
61.98821	4.3
71.01372	1.6
73.02932	0.6
83.01398	0.8
85.02943	1.2
89.02422	0.9
96.96010	1.1
101.02460	1.5
107.20754	0.6
113.02453	1.2
122.02482	4.1
132.04549	10.4
133.02925	1.0
134.03831	0.9
134.06117	0.8
144.04541	15.0
145.02962	1.1
146.06116	1.1
147.03236	1.2
153.01933	1.5
160.01959	1.1
160.04037	44.0
161.02428	3.0
161.04434	0.8
162.05606	69.3
163.05963	3.5
175.04021	1.5
178.05089	8.3
182.18881	0.8
188.03531	100.0
189.03856	3.4
190.05115	0.9
193.05162	1.2
206.04616	24.8
207.04933	3.0
230.04678	0.8
248.05511	0.7
258.54266	0.7
337.09247	0.8
348.08987	0.8
422.14423	1.0
440.15677	62.7
441.15897	4.4
515.51563	0.8
521.17133	1.2
544.14514	1.6
545.16980	4.6
584.20044	11.0
603.61023	0.8
621.40234	0.8
707.23309	10.1
708.22198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79436	0.2
53.08963	0.3
55.01868	0.4
57.03437	0.5
58.00592	1.5
59.01383	45.8
71.01378	32.3
71.61331	0.3
72.99292	1.4
73.02919	0.7
74.96056	0.3
75.63669	0.3
76.20415	0.3
78.14584	0.3
79.75467	0.3
83.01377	0.7
85.02945	5.2
87.00856	1.9
89.02435	57.9
95.01366	2.1
95.65476	0.3
97.02886	0.3
97.59982	0.3
101.02431	19.8
102.46455	0.3
110.33781	0.3
113.02437	15.9
119.03481	19.0
131.03502	2.7
143.03491	4.0
149.04518	2.0
161.04561	4.4
179.05608	15.0
341.10898	100.0
342.11240	2.0
755.76001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88538	0.2
55.01865	0.2
59.01372	0.3
73.02948	0.2
78.95898	13.3
80.45117	0.2
88.17649	0.2
104.97448	0.8
110.98526	12.0
117.71954	0.2
128.23639	0.2
137.00066	0.3
152.99669	0.2
167.01141	12.3
184.75937	0.2
185.02170	3.0
240.92148	0.2
261.22208	0.3
272.87027	0.2
279.23294	100.0
280.23642	3.5
293.52771	0.2
402.01788	0.2
447.25220	48.8
448.25577	2.4
475.87350	0.2
479.67453	0.2
518.73816	0.2
637.72052	0.2
673.98328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83274	0.1
70.49636	0.1
78.95904	53.0
79.95733	0.1
96.95982	0.5
96.96952	6.9
98.95655	0.2
115.41364	0.1
125.76847	0.1
150.98009	1.9
152.99585	100.0
153.99904	0.9
171.00644	3.5
183.01210	2.8
184.01988	0.4
216.00952	0.2
279.23343	1.6
280.23553	0.1
309.17343	0.2
310.17651	0.2
311.16898	9.5
312.17188	0.7
433.23642	27.1
434.23938	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	747.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31066	1.2
56.75481	1.3
57.03485	1.3
59.01366	3.0
61.98828	2.9
71.01360	1.8
82.95414	1.9
85.08349	1.3
96.90432	1.3
101.02376	2.0
117.03439	24.2
119.04996	20.4
132.02173	2.5
133.02950	2.6
134.03717	76.3
135.04491	27.9
144.04544	1.8
145.02934	100.0
146.06137	3.1
149.06050	42.4
156.13309	1.3
160.01653	12.9
161.06004	2.0
161.51299	1.6
162.05602	8.5
163.03966	8.7
175.04007	13.7
188.03519	6.0
190.05153	2.7
191.08089	1.6
201.86972	1.3
204.06508	2.4
205.05017	2.0
206.04619	1.8
231.08998	1.7
247.10883	3.3
263.14209	1.5
273.08713	8.3
274.09592	23.0
289.11938	28.7
307.08188	28.0
322.43588	1.5
391.36301	1.3
409.17648	3.1
439.18814	24.5
597.20947	5.8
747.27808	40.1
748.27173	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	747.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
61.98813	4.4
64.17853	1.0
68.98668	1.1
71.01366	2.4
76.57249	1.1
92.11717	2.5
113.02348	1.3
114.38639	1.2
117.03394	1.2
119.04989	100.0
132.02115	8.6
133.02901	2.4
134.03703	62.2
135.04500	29.4
136.77003	1.1
144.04543	2.3
145.02950	7.4
146.06119	2.5
149.06035	34.8
160.01627	46.7
160.03918	2.0
161.02451	2.8
162.05597	10.8
175.03964	50.3
178.02748	1.4
179.03407	1.2
188.03542	2.7
190.05061	2.7
193.05023	11.2
193.06561	1.4
204.06636	1.9
206.04559	2.3
216.10277	5.5
231.09058	1.4
247.10843	4.9
259.10815	24.7
260.70895	1.2
273.08820	5.5
274.09497	20.5
280.14078	1.3
289.11884	25.6
337.09268	46.2
409.17627	57.7
417.17938	1.3
433.11899	1.2
627.22528	2.0
747.27325	11.3
765.77563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89537	0.2
59.01387	0.3
60.47248	0.2
61.98832	100.0
62.93607	0.2
69.72457	0.2
72.16193	0.2
76.02550	0.2
114.96174	0.2
132.02231	0.3
134.03761	0.9
138.05623	0.3
145.02979	1.1
146.06160	0.2
160.01711	1.8
162.05644	0.9
175.04004	1.6
188.03551	0.4
193.05148	0.3
194.04654	0.4
194.92909	0.2
241.84009	0.2
256.15042	0.2
685.20013	0.3
744.04901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04747	0.1
55.23993	0.1
59.01382	0.6
61.98838	100.0
62.04131	0.1
62.98530	0.1
64.44943	0.1
69.00576	0.1
80.08640	0.1
87.00884	0.1
97.56102	0.1
101.02424	0.1
122.02624	0.1
132.02179	1.8
132.03105	0.1
133.02928	0.1
133.72316	0.1
134.03766	0.7
146.06230	0.1
160.01662	7.5
161.02118	0.1
162.05681	0.4
162.87286	0.1
163.77783	0.1
175.04004	7.2
176.04369	0.3
188.03613	0.2
193.05078	0.6
206.04597	0.1
219.49057	0.1
226.58702	0.1
257.37582	0.1
383.12054	0.1
643.18884	0.3
685.20074	3.6
686.20673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56483	0.2
59.01387	2.9
61.98824	0.5
68.33026	0.3
71.01382	1.6
73.02933	0.7
82.95413	0.5
83.01406	0.3
85.02949	0.7
96.96000	0.8
101.02418	2.1
105.03484	0.4
113.02435	1.5
121.03022	0.4
123.04553	0.4
132.02173	2.3
133.02950	42.5
133.42821	0.4
134.03645	0.6
135.04521	33.0
136.04848	0.8
137.02446	0.6
144.04503	0.6
146.06165	0.5
149.02434	0.4
149.06160	0.4
160.01605	0.6
160.04066	0.8
161.02444	100.0
162.02763	1.9
162.05594	3.4
163.05894	0.4
175.04059	0.6
177.05574	0.7
179.03505	27.5
188.03613	1.5
188.76460	0.3
193.05052	0.5
203.03545	0.7
206.04572	0.6
215.10733	0.4
221.04436	1.0
233.04527	0.5
251.05661	2.3
323.07520	2.5
527.14093	0.7
545.15033	1.9
587.16235	14.8
588.16882	0.5
689.15936	0.5
749.19403	17.8
750.19604	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18867	0.1
55.29065	0.1
57.84489	0.1
69.86938	0.1
70.28889	0.1
78.95906	46.1
87.82407	0.1
92.12511	0.3
94.40646	0.1
96.96960	6.2
150.98004	2.2
152.99583	100.0
153.99925	0.8
171.00620	3.3
177.76791	0.2
179.94191	0.1
193.21936	0.1
265.21768	1.1
279.23206	1.0
433.23602	29.8
434.23932	1.2
587.52930	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	750.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.3
63.43054	2.0
68.09953	2.0
68.57330	2.1
108.02166	27.7
108.38274	2.2
109.02941	3.2
109.10649	2.4
119.05033	5.4
121.02930	12.5
123.04527	3.1
134.03741	84.6
134.06007	2.1
135.04541	10.1
149.06050	27.2
160.01704	3.5
162.05602	3.1
175.03989	5.2
190.05046	2.5
204.06615	2.4
211.07555	3.1
239.07202	9.0
249.05609	3.5
251.03374	3.7
251.07306	2.8
252.07976	2.5
264.07758	3.0
267.06647	34.1
268.07339	5.3
273.08838	4.0
274.09686	20.5
280.07117	3.8
281.08160	10.8
282.09045	28.1
283.09775	15.1
283.31000	2.1
289.11951	14.2
294.07675	3.3
296.10547	21.1
297.11346	37.0
298.10858	9.7
326.10529	2.9
338.10336	3.2
402.13480	19.8
413.12610	3.8
416.14536	3.2
428.15048	3.3
430.12985	44.2
432.18341	21.1
445.15295	32.5
460.17789	44.8
486.15625	4.5
568.20685	15.3
587.24072	7.6
600.23785	35.6
750.30353	100.0
751.30682	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	751.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
64.38575	0.7
64.83928	0.7
65.43908	0.7
70.80662	0.7
71.01385	6.9
73.02949	1.1
81.03458	1.6
83.01352	0.9
85.02944	1.1
91.01906	0.9
96.96021	1.1
101.02444	2.0
108.02184	5.8
113.02454	1.2
123.00889	1.7
123.04539	8.6
124.20309	0.8
125.02421	2.1
132.02135	1.3
133.02937	4.1
134.03743	100.0
135.04543	30.7
145.02931	1.5
147.04576	1.1
148.05327	1.6
149.06088	50.7
151.00398	4.8
152.01173	7.6
153.01976	1.5
160.01668	1.8
160.04103	1.5
161.02441	3.4
161.06119	1.3
162.05690	5.9
167.03499	25.9
175.04018	4.8
190.05196	2.8
204.06676	3.8
230.08223	1.1
231.09056	1.7
247.10875	10.3
248.11615	4.7
263.14178	1.6
273.08847	9.1
274.09637	33.5
275.10333	1.5
289.08698	1.0
289.11969	37.7
296.05386	5.1
311.07785	39.3
408.82736	0.8
439.18823	52.1
440.19009	1.8
601.20770	6.3
751.27228	34.2
752.27386	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	751.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07706	2.0
59.01367	3.2
59.18556	2.3
65.70864	2.6
81.10947	2.8
86.51438	2.4
89.71632	2.4
109.77932	2.6
110.74113	2.6
119.05013	5.8
133.02942	4.9
134.03735	100.0
135.04523	27.2
137.05908	2.7
147.04533	6.6
148.05316	4.8
149.06076	54.0
151.11272	6.7
160.01674	4.5
161.02380	3.1
161.06149	2.9
166.62117	3.0
171.10274	18.2
174.06741	19.6
175.03996	3.9
175.07654	5.2
187.07666	3.8
189.09172	5.0
190.05118	4.0
204.06674	6.6
211.07739	2.7
213.09204	6.8
230.08220	3.7
234.98485	3.1
247.10815	10.6
256.14746	12.5
257.15512	3.7
261.12503	3.1
271.17249	3.3
273.08810	12.1
274.09540	40.6
289.11993	41.6
289.18143	6.4
311.16486	5.9
343.18985	4.3
361.20175	5.5
385.31747	2.7
439.18851	4.6
443.28455	4.9
461.29041	17.4
501.25662	3.0
579.30585	23.2
601.35669	5.0
651.32782	4.2
657.60822	3.1
751.41840	75.3
752.42834	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	751.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43916	0.1
64.07976	0.1
64.34992	0.1
78.95904	3.9
80.12067	0.1
84.23518	0.1
88.08445	0.1
92.11781	0.2
110.98532	3.9
114.39995	0.1
116.92833	0.2
144.15590	0.1
152.99574	0.6
167.01146	2.0
185.02238	2.4
281.24881	100.0
282.25269	3.7
312.22693	0.1
333.40475	0.1
449.26794	23.8
450.27280	1.0
571.21271	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	752.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	13.5
61.98859	0.7
65.48251	0.8
65.85322	0.7
71.01386	12.1
71.10901	0.7
71.91379	0.7
73.02956	1.9
78.02729	0.8
85.02956	5.1
87.00868	1.1
89.02439	12.9
92.12396	4.3
99.00847	1.3
101.02441	9.6
106.04244	1.0
107.05019	4.7
113.02452	7.0
116.05057	12.0
119.03506	2.1
119.05024	1.7
121.02921	1.4
121.05088	6.8
123.04515	10.5
128.05061	4.1
131.03757	6.2
132.04536	1.5
133.02937	6.5
144.04543	41.2
145.05069	0.9
146.06120	100.0
147.06425	1.4
151.04021	7.5
158.06192	3.1
160.04018	3.8
161.04538	4.4
162.05626	15.5
163.04039	0.9
165.05539	1.4
170.06168	1.6
172.04037	25.5
175.04027	1.2
179.05527	1.3
186.05681	0.9
188.03589	3.9
190.05110	76.0
191.05475	1.0
201.20721	0.8
205.05103	3.8
208.03850	1.4
214.05154	2.1
223.06061	3.5
232.06177	5.3
258.03165	0.8
274.07288	2.1
283.10342	13.4
315.10010	3.4
319.30258	0.9
334.09308	14.3
377.53122	1.0
417.14005	25.7
468.12952	4.0
486.14182	1.0
590.18427	2.7
591.16974	1.8
671.75293	1.0
752.24078	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	752.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50755	0.1
59.83405	0.1
61.41447	0.2
65.63919	0.2
67.03711	0.1
69.26800	0.2
105.03441	0.9
106.04234	0.2
107.04980	0.4
119.05018	1.0
121.02936	0.2
132.02170	0.3
133.02950	5.1
134.03737	100.0
135.04527	30.7
136.04897	0.7
137.02449	0.7
145.03032	0.2
147.04527	2.1
148.04118	0.4
148.05307	6.3
149.06082	60.4
150.06450	1.1
160.01660	2.7
160.27884	0.2
161.02473	2.0
161.06085	1.8
162.03236	0.7
162.05579	0.8
164.04749	0.3
168.94073	0.2
175.02690	0.9
175.04016	3.6
176.03525	1.6
178.05055	1.7
181.83894	0.2
190.05113	4.5
194.02185	0.7
202.05234	0.2
204.06639	4.5
218.08269	1.0
219.11421	0.3
229.09784	0.7
230.08253	1.5
231.08995	2.3
232.09666	0.9
245.09103	0.2
246.09790	0.3
247.10890	10.2
247.13461	0.3
248.11630	4.3
249.12488	0.2
260.46240	0.2
261.12451	0.3
263.13959	2.0
273.06345	0.2
273.08832	6.7
274.09613	26.4
275.10260	2.6
278.22296	0.2
282.08243	0.2
282.93436	0.2
289.11972	39.1
290.12341	1.4
297.10156	0.4
312.12473	1.5
370.86914	0.2
423.15570	2.6
424.16385	0.8
439.18796	73.4
440.19107	3.8
459.55728	0.2
494.37860	0.2
512.53833	0.2
577.16565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92932	0.5
59.01388	5.1
62.97140	0.6
71.01398	4.8
72.99313	8.7
73.02959	1.3
85.02947	3.0
86.93713	0.5
87.00892	1.2
89.02434	2.4
93.03487	0.9
93.49743	0.6
97.02914	1.2
99.00845	0.8
101.02431	3.8
107.05010	4.2
112.01423	0.6
113.02441	2.4
117.22782	0.7
119.04959	0.6
120.04573	0.8
121.02966	0.7
123.04491	3.1
125.02438	8.1
131.03574	0.6
132.04555	6.8
133.02933	2.7
134.02528	0.8
134.03757	0.7
134.06084	0.9
136.00369	4.0
137.01218	0.7
137.02376	1.0
138.01968	7.9
143.03546	0.7
144.04535	12.0
145.02985	0.9
147.03262	2.9
148.00401	3.0
148.04019	2.3
149.02513	0.8
151.03986	4.1
152.01161	1.1
153.04355	3.2
156.08714	0.6
158.06175	0.6
159.03210	1.2
160.04036	33.5
161.02423	1.1
161.04581	2.5
162.01947	2.6
162.05606	100.0
163.02690	0.8
163.05927	2.9
163.99892	62.5
165.00389	0.8
167.03587	1.0
168.06683	0.9
174.05611	1.1
175.03998	1.0
178.05180	5.6
179.02238	50.5
186.01901	0.7
186.05577	2.6
187.02705	5.0
188.03525	60.1
189.03920	1.3
194.04587	20.6
202.05185	1.4
204.03014	2.3
204.06667	3.8
206.04599	71.8
207.04918	1.4
213.32603	0.6
222.04185	1.2
224.05579	0.6
230.04659	5.8
248.05656	19.6
278.06708	8.1
303.55722	0.6
305.87326	0.6
308.07773	18.4
350.08801	2.4
368.09836	6.4
388.56506	0.6
393.53470	0.7
393.58469	0.7
410.10938	20.8
440.11957	0.8
452.12027	5.0
470.13196	5.4
512.14197	10.0
513.14130	0.9
530.15076	2.6
531.14246	0.7
753.20892	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	753.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06938	2.5
53.45497	2.3
55.01870	3.7
59.01153	2.7
59.01385	54.3
61.98825	4.8
65.97246	3.2
69.03471	2.8
71.01375	73.8
73.02931	7.7
74.45992	2.7
79.90312	3.0
83.01379	7.2
85.02948	36.0
87.00854	7.1
88.98804	3.7
89.02440	37.5
91.01844	3.6
93.03466	5.6
95.01372	4.3
96.95982	3.6
97.02914	13.2
99.00857	17.3
101.02439	43.4
106.04238	10.9
107.05016	85.4
108.02107	4.5
113.02435	40.3
119.03474	15.2
119.04971	4.9
120.15877	2.9
121.02938	6.0
123.04522	54.6
124.01630	5.4
125.02451	34.2
131.03506	6.1
131.04988	21.1
132.02122	12.9
133.02937	60.2
134.03708	5.1
137.02451	4.1
143.03467	16.0
144.57686	2.9
149.02432	5.8
149.06067	5.3
151.03989	100.0
160.01561	3.2
160.04071	4.4
160.53682	3.1
161.02429	13.8
161.04590	26.5
162.01910	24.9
162.05550	23.2
164.04744	3.7
167.03502	3.7
173.06015	3.9
175.03966	23.1
188.03537	16.9
190.02689	4.2
193.05054	18.6
203.07179	3.7
205.05087	4.4
206.04579	14.1
221.06647	5.7
223.06165	4.2
235.06367	4.1
245.06662	18.8
248.05661	4.9
263.07608	4.2
275.65265	3.7
295.08212	16.5
301.07159	6.5
323.09534	4.8
356.01465	3.1
429.11160	3.2
457.13443	21.1
499.14709	5.3
591.17120	6.7
609.18225	13.3
633.16516	3.6
651.19495	4.8
693.49207	6.3
753.22437	86.4
773.91833	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	753.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82917	0.1
57.93300	0.1
73.02956	0.1
89.83509	0.1
92.12379	0.1
94.28376	0.1
99.92578	12.1
100.92581	0.2
109.99125	0.1
114.93417	0.4
116.92853	100.0
117.01941	0.2
117.92864	1.8
219.99402	0.1
307.14627	0.1
335.40555	0.1
404.22012	0.1
439.48944	0.1
520.71680	0.1
578.86151	0.1
669.18176	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	753.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	7.8
71.01376	2.3
71.27724	1.3
85.02942	1.7
88.64290	1.3
89.02467	2.4
96.96055	1.4
101.02441	2.5
106.30351	1.2
113.02453	1.9
114.40754	1.4
119.05013	1.9
122.02512	4.4
132.04564	13.9
134.03682	1.6
137.02466	2.0
144.04559	21.6
147.03378	1.6
149.02554	1.4
160.04039	60.4
160.05348	2.4
162.05605	96.0
163.05980	1.6
176.03586	1.9
178.05093	7.9
188.03540	100.0
206.04597	42.6
248.05577	1.8
468.15308	8.6
486.16217	80.7
487.16547	2.6
591.17590	2.3
630.20288	12.1
648.01135	1.5
753.22638	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	753.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95516	0.2
54.82161	0.2
56.58952	0.2
62.91018	0.2
72.99323	2.6
73.81616	0.3
75.00876	100.0
76.01189	0.5
78.60996	0.3
92.12370	0.7
97.31606	0.3
107.53230	0.3
144.04536	0.4
146.06163	0.5
154.70584	0.2
160.04089	0.6
162.05644	1.6
172.04141	0.3
182.19958	0.3
190.05164	0.5
203.08189	0.3
206.04617	0.4
213.25458	0.3
213.79955	0.3
225.16121	0.4
252.18088	0.3
252.97061	0.3
677.49750	5.9
678.50317	1.2
679.50763	0.3
703.75385	0.3
753.51715	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	755.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15620	0.4
59.01369	1.8
71.01380	0.8
73.02931	0.4
85.02929	0.8
89.02431	0.5
93.03457	0.6
101.02412	1.8
113.02451	0.7
119.05004	2.2
120.04542	0.6
132.04539	0.8
134.06154	0.7
137.02417	1.6
144.04565	6.3
145.02956	0.5
146.06102	0.9
147.03276	3.9
148.04077	1.7
159.03227	0.7
160.04031	22.5
161.04733	2.2
162.01950	2.5
162.05594	100.0
163.05948	2.5
174.05574	2.2
175.02647	0.5
176.07132	1.8
178.05055	0.7
186.05649	3.1
187.02754	1.0
188.03520	26.0
189.03833	0.6
190.05121	2.0
202.05093	3.0
204.06677	4.5
205.05086	0.6
206.04587	58.6
207.04871	1.0
230.04582	4.7
247.05006	0.7
248.05612	11.3
278.06677	0.6
290.06656	4.6
308.07809	0.5
350.08795	4.0
368.09918	0.5
412.14163	0.5
512.14166	2.5
550.10663	0.5
557.14166	29.1
558.14539	1.7
599.14917	3.4
719.19348	9.6
720.19574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05099	0.3
59.01393	0.8
60.11250	0.3
61.98827	0.6
68.69913	0.3
69.03455	0.3
71.01383	1.8
72.99318	4.3
77.76180	0.4
78.64641	0.3
80.09646	0.3
85.02919	0.6
87.00870	0.6
92.65890	0.3
93.03455	96.5
94.03800	0.7
101.02452	1.5
105.03454	0.7
107.05029	0.5
109.01169	1.7
113.02453	1.6
119.05009	1.4
121.02941	1.7
122.22757	0.3
125.03547	0.4
128.03522	0.6
133.02966	0.6
134.03725	2.4
135.04549	0.5
136.01639	1.9
137.00691	3.8
137.02443	100.0
138.02766	1.3
140.87103	0.3
143.04648	0.5
145.02946	2.8
151.03955	0.6
152.01173	0.5
160.04059	2.2
162.01974	0.4
162.05605	5.6
163.99385	0.6
164.03503	0.4
165.00171	7.7
167.01727	2.3
169.02531	0.8
173.04572	2.2
175.04033	0.7
178.03383	0.4
179.03511	8.3
188.03545	2.3
191.05595	6.9
192.05969	1.9
193.05078	1.6
206.04581	3.8
208.99139	0.5
249.05759	0.5
281.06680	6.6
316.16626	1.6
336.13885	1.8
338.15500	0.5
350.08609	0.4
367.10284	1.6
369.11038	0.6
381.18884	1.5
382.19513	1.7
413.10776	0.6
419.09656	2.7
454.56247	0.4
455.12106	0.8
482.17599	7.9
484.19434	0.6
551.13721	0.7
593.15210	1.7
635.16040	1.9
673.72894	0.4
695.18335	29.2
696.18475	1.7
719.19519	0.5
755.26459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03452	2.6
57.25054	0.3
59.01111	0.6
59.01386	12.9
61.98836	19.9
62.22716	0.3
66.39370	0.3
67.01888	1.1
68.99808	2.2
69.03448	1.4
71.01381	14.7
72.99307	5.6
73.02941	2.3
75.00867	15.4
81.03465	0.4
83.01395	1.7
85.02945	18.1
86.03278	0.3
87.00859	7.1
88.85884	0.3
89.02430	4.6
91.04012	0.6
92.11713	0.7
93.03453	7.3
94.03793	0.7
95.01371	4.1
96.95959	0.3
99.00878	9.6
99.05641	0.4
101.02449	0.6
103.00365	0.8
107.04985	0.4
109.02937	0.5
111.00861	1.3
111.04491	0.6
113.02449	20.2
115.00355	2.0
117.01933	3.4
119.05044	0.7
121.02946	90.3
122.03278	0.7
128.03539	1.4
129.01907	1.6
132.02940	0.4
133.02951	4.0
134.03719	0.5
135.04550	0.8
135.05563	0.3
137.02440	6.8
138.02763	1.6
139.02234	1.7
143.04642	2.3
144.77173	0.3
145.02985	1.5
149.01213	0.5
150.47972	0.4
150.74110	0.3
157.01404	0.6
160.04126	0.4
162.05594	2.2
165.00177	0.7
166.99617	0.6
167.01729	17.3
168.01933	0.4
169.01231	0.3
171.56036	0.3
175.02486	1.7
179.03436	0.4
188.03622	1.2
189.04060	1.7
190.02681	0.4
191.05373	0.3
206.04602	1.9
231.05124	4.4
239.93504	0.3
249.06166	43.1
250.06586	0.6
272.08896	2.4
289.08182	0.5
304.16711	0.5
311.07910	0.4
338.15494	6.8
369.84711	0.4
371.09869	100.0
372.10141	3.6
430.82748	0.4
483.17987	0.7
484.19147	15.0
485.19772	0.7
697.19110	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	757.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67066	1.3
73.34040	1.3
74.40310	1.4
75.56373	1.5
96.96953	2.6
119.05065	3.6
129.60229	1.5
139.11293	32.6
146.06111	6.4
162.05612	7.5
163.04053	6.0
167.65710	1.5
171.10291	8.0
190.05029	2.0
206.04492	1.9
225.04510	3.2
227.06004	24.0
242.04738	3.1
265.07559	3.2
267.09235	14.0
269.07117	17.1
271.04959	2.0
335.15543	3.0
349.17020	100.0
365.16162	6.1
367.17932	18.7
381.15976	40.3
381.20459	3.1
421.19275	3.5
427.20160	20.0
439.89081	1.7
539.28711	2.5
542.66571	2.2
697.42157	87.6
698.42505	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	757.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64534	1.5
61.90310	1.1
106.81888	1.5
113.09696	2.3
115.66969	1.6
117.50426	1.4
134.03778	1.5
163.42032	1.3
201.45700	1.5
213.08131	1.8
239.05966	2.8
241.07610	60.4
253.07455	2.3
255.09167	5.2
257.07089	21.0
267.09235	2.7
268.06296	2.4
269.07086	3.0
271.05032	2.2
283.08704	2.6
285.06650	5.6
299.08084	1.7
328.08441	9.3
328.81082	1.4
329.23428	2.4
349.17059	27.5
367.18112	12.1
411.17004	2.4
427.20065	11.8
697.42194	100.0
698.42017	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	757.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31852	0.2
59.01395	0.8
60.24434	0.2
78.91883	0.3
78.95911	10.6
95.00331	0.2
95.92077	0.3
110.98534	7.8
127.07671	0.3
144.76443	0.3
152.99571	0.5
167.01137	5.7
167.02466	0.3
185.02235	4.0
233.22780	0.5
234.56946	0.3
275.19952	0.4
277.21738	100.0
278.22037	4.4
311.16977	1.3
426.83893	0.3
445.23645	42.1
446.24020	2.3
777.77118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45242	0.3
55.93563	0.4
56.11301	0.3
59.01390	0.4
67.95586	0.3
71.01375	0.5
93.97781	0.4
96.96000	0.9
101.53927	0.4
111.95677	0.4
119.05021	0.8
120.04541	0.9
134.06133	0.9
144.04501	0.9
147.03285	3.0
160.04031	20.7
161.04706	0.4
162.05605	100.0
163.05943	2.1
176.03464	0.6
182.02217	4.8
188.03500	6.8
200.03313	7.9
206.04601	66.6
207.04903	1.6
228.02800	39.7
229.03201	0.7
231.75189	0.4
246.03804	0.7
251.86667	0.4
368.09888	38.3
369.09888	0.6
390.07993	2.3
414.87521	0.5
454.05807	0.5
732.75891	0.5
759.18524	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	759.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51107	0.3
58.62344	0.3
67.37470	0.2
71.94106	0.3
73.30960	0.3
78.95893	10.7
87.46220	0.3
92.11783	0.4
99.92535	0.3
109.91701	0.3
110.98515	8.4
116.92844	3.4
142.06473	0.3
152.99567	1.7
167.01155	6.2
183.01161	0.5
185.02213	2.6
207.67909	0.3
219.17224	0.3
232.88629	0.4
279.23285	100.0
280.23618	4.0
311.17026	1.5
315.61093	0.3
325.18515	1.5
434.17081	0.3
447.25195	37.9
448.25476	2.0
759.44574	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69748	0.2
58.78365	0.2
59.01375	0.2
59.05483	0.2
69.47528	0.2
74.67394	0.2
78.35478	0.2
78.95481	0.3
78.95902	5.5
85.00146	0.1
85.81541	0.2
89.83588	0.2
92.12385	0.2
96.12649	0.2
110.98523	3.8
116.92827	0.3
140.84116	0.2
152.99515	1.4
167.01100	1.6
183.01195	2.2
185.02158	2.6
197.02635	0.2
212.94313	0.2
213.84923	0.2
261.22266	0.8
264.64966	0.2
279.23282	100.0
280.23654	3.5
281.24829	0.4
311.16916	2.2
325.18430	4.8
326.18845	0.3
447.25195	26.4
448.25543	1.1
617.74921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03680	0.1
66.95920	1.5
80.28857	0.2
80.91697	0.3
82.95417	100.0
83.02510	0.3
121.02975	0.4
144.04594	0.2
145.34799	0.2
149.02423	0.2
160.04030	0.2
162.05598	1.0
165.01958	0.4
188.03616	0.2
190.02695	0.2
200.54260	0.2
256.43484	0.2
271.02399	0.2
299.01981	0.3
318.67529	0.2
329.06689	0.4
370.42355	0.2
678.50159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.59287	0.1
70.50015	0.1
71.01362	0.8
73.02922	0.5
75.00922	0.1
77.03930	0.2
82.95421	0.2
83.01373	0.2
85.02930	0.2
87.00862	0.3
89.02409	0.5
89.03936	0.3
92.11766	0.2
95.04996	0.1
96.95961	0.1
101.02426	1.1
105.03429	0.6
108.02162	0.1
113.02408	0.8
115.01836	0.3
117.03442	1.4
119.04988	0.2
123.04508	0.5
132.02144	4.0
133.02925	43.1
134.03737	9.3
135.04518	3.5
137.02412	0.7
144.04532	0.2
146.06119	0.3
149.06033	1.7
153.30510	0.1
160.01625	7.5
160.03854	0.5
161.02412	100.0
162.02768	2.6
162.05569	1.4
175.03972	9.3
175.07355	0.1
176.04468	0.2
177.05685	0.1
178.02711	1.1
179.03459	2.5
188.03517	0.6
189.05627	0.2
193.05011	6.8
206.04556	0.5
214.59953	0.1
265.07123	0.6
319.08240	0.2
334.30258	0.1
337.09128	0.3
400.61182	0.2
435.83951	0.1
472.85056	0.1
488.40826	0.1
499.12747	0.3
505.84238	0.2
541.15594	0.7
559.16412	1.0
587.15826	1.0
601.17578	2.0
602.68341	0.1
635.33466	0.2
703.18927	0.3
721.19855	0.8
763.20831	9.6
763.70575	0.2
764.20215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
61.98837	0.4
65.76571	0.3
67.97971	0.3
67.99036	0.3
71.01379	0.9
73.02934	0.5
85.02935	0.5
87.00889	0.4
87.07275	0.3
101.02409	0.8
105.03493	0.4
109.02868	0.4
111.82807	0.4
113.02447	0.5
117.03465	1.5
123.04539	0.4
132.02200	3.5
133.02950	42.5
134.03748	9.2
135.04549	3.7
137.02455	0.6
144.04556	0.8
146.06131	1.5
149.06073	1.3
158.36089	0.4
160.01666	8.9
160.03999	0.5
161.02446	100.0
162.02805	2.2
162.05649	3.5
175.03999	9.2
178.02744	1.4
179.03477	2.7
188.03552	0.6
193.05049	7.5
206.04552	1.4
242.67603	0.3
265.07288	0.5
299.90643	0.4
337.09314	0.4
541.15723	0.6
559.17108	0.6
587.16193	1.3
601.18146	1.9
763.20654	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	763.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54604	0.2
75.98239	0.3
81.33997	0.2
87.17293	0.2
93.03443	0.5
95.89091	0.2
117.03469	32.8
118.03825	0.4
119.05030	100.0
120.05379	1.4
121.02990	2.2
123.00922	1.1
123.04562	0.5
137.02466	0.3
138.03226	0.5
145.02969	80.5
146.03308	1.9
146.24800	0.3
151.00378	4.9
152.01163	7.1
153.01974	1.1
153.05528	0.4
162.03224	0.5
163.04019	63.5
164.04420	0.6
165.01956	1.1
166.02725	10.7
167.03516	4.5
175.04002	0.5
175.42351	0.3
177.05630	2.0
178.02739	0.4
180.04327	0.4
181.05078	6.4
183.57578	0.2
188.04909	0.3
193.05049	0.3
195.06676	1.1
203.03484	1.1
217.89436	0.3
218.05849	0.3
221.62746	0.3
237.78223	0.3
290.70590	0.3
302.08069	1.1
317.10345	0.4
381.13672	0.3
563.19531	0.6
581.20142	1.5
727.24066	88.8
728.24225	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	764.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14275	0.8
57.03455	23.1
59.01109	1.1
59.01387	24.7
59.47833	1.0
71.01375	9.9
85.02934	2.3
89.02435	2.0
99.00871	1.5
99.04524	17.4
101.02439	13.3
104.38985	1.3
113.02438	4.7
125.02436	7.6
131.07162	1.6
143.03539	1.3
144.04520	1.3
147.03220	2.0
160.04041	11.5
161.04552	5.2
162.05602	100.0
163.05913	2.1
188.03540	8.8
206.04594	61.4
207.04951	1.7
251.11464	12.0
268.69635	1.1
293.12521	10.0
333.15530	1.3
368.09885	43.5
369.10339	1.4
395.15652	30.8
613.53253	1.1
761.99237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
71.01393	3.6
73.02957	0.6
89.02390	0.6
101.02433	2.8
113.02456	1.0
117.03431	0.5
119.04996	0.5
132.02165	12.8
133.02939	5.0
134.03735	21.6
135.04553	0.5
137.02455	1.6
139.04008	0.7
144.04523	0.6
146.06071	0.5
149.06059	3.2
160.01656	84.9
160.03926	2.3
160.18105	0.4
161.02258	1.8
161.04500	0.8
162.05574	3.7
169.01338	0.5
175.04002	100.0
176.04387	1.8
178.02748	2.3
179.03442	0.6
188.03560	2.5
190.02780	0.6
193.05067	15.4
205.05083	0.7
206.04633	0.9
214.85857	0.4
294.34137	0.5
295.08688	0.6
337.09293	9.8
412.13989	1.9
427.16101	37.1
428.16425	0.9
714.57581	0.4
765.26184	27.2
766.26721	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05872	0.2
54.41840	0.2
54.82665	0.2
59.01378	0.3
63.11130	0.2
63.54163	0.2
68.22849	0.2
75.10275	0.2
78.95899	9.7
93.02715	0.2
108.37202	0.2
110.98529	8.2
124.00325	0.2
137.00075	0.2
141.48018	0.2
167.01143	5.6
171.10371	0.2
185.02199	3.3
261.22214	0.4
277.21793	0.3
279.23309	100.0
280.23703	3.1
295.22766	0.8
397.55713	0.2
410.81830	0.2
447.25214	41.4
448.25592	1.8
449.06006	0.2
592.43536	0.2
597.44666	0.4
640.17841	0.2
765.47064	3.5
766.47253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03735	0.5
61.97923	0.6
78.95888	7.9
93.02495	0.7
96.29969	0.7
99.08139	4.4
125.76125	0.6
144.96835	0.6
152.99658	1.3
155.14354	5.0
164.61336	0.5
168.04269	1.2
224.06865	4.1
225.22290	7.0
255.23308	47.1
256.23596	1.4
269.21359	0.7
271.22800	100.0
272.23181	3.5
274.57721	0.6
289.37988	0.7
302.90762	0.6
323.60638	0.7
480.30994	39.6
481.31702	1.0
542.02814	0.6
618.27179	0.6
669.98578	0.6
768.59613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87923	0.3
65.19238	0.3
66.23412	0.3
70.86926	0.2
72.18010	0.3
78.95905	6.3
79.01215	0.3
90.79956	0.3
110.98533	4.2
120.58047	0.3
152.99527	0.3
167.01152	4.1
185.02197	2.6
192.20708	0.3
205.83017	0.3
251.25012	0.3
281.24872	100.0
282.25262	5.2
295.22879	0.5
313.89694	0.3
449.26797	34.2
450.27161	2.1
529.68121	0.4
767.48969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17945	0.2
54.82491	0.3
59.01840	0.3
74.71761	0.3
78.95904	9.5
104.97422	0.4
110.98526	8.1
116.92818	0.5
120.73193	0.3
152.99556	0.3
167.01140	6.7
185.02219	2.6
254.71834	0.3
272.74646	0.3
279.23328	0.4
281.24884	100.0
282.25211	3.5
316.52884	0.3
336.77048	0.3
377.85217	0.3
449.26813	42.5
450.27390	2.2
767.48700	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.4
59.08664	0.3
60.99313	17.3
62.60919	0.2
68.80139	0.3
71.01370	0.3
83.05032	0.4
87.00876	7.2
88.00401	4.2
88.01218	0.6
88.04034	1.7
88.98804	100.0
89.02441	48.8
92.12345	1.2
93.68060	0.3
105.61938	0.3
114.27012	0.3
138.17548	0.3
162.05603	0.5
360.34726	0.3
430.28876	0.4
451.32916	0.4
523.53674	0.4
577.19379	0.4
677.50073	4.0
678.50159	1.8
692.56372	0.4
767.52728	0.4
769.60663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39957	1.0
57.63497	0.8
59.01390	8.8
61.16988	0.9
69.29984	0.9
71.01381	6.0
85.02962	1.2
87.00902	1.2
89.02441	4.2
96.95993	1.8
99.00880	1.3
101.02445	2.3
105.17469	0.9
113.02442	1.7
119.03484	1.1
120.04507	1.1
120.50308	0.9
121.05038	2.1
123.04507	5.8
132.04538	6.6
133.02953	5.9
134.06081	1.1
135.04620	1.2
137.02380	1.7
144.04536	9.2
145.08698	5.1
146.06099	1.5
147.03265	2.2
148.04066	1.8
151.04076	1.5
158.06116	2.1
159.03256	6.2
160.04028	47.8
161.04768	10.3
162.05598	100.0
174.05598	4.3
175.04044	1.5
176.03513	1.2
176.07161	1.6
178.05089	5.6
186.05623	6.3
187.02727	4.7
188.03531	54.2
190.05090	5.3
193.05040	1.7
202.05038	7.9
204.03050	2.3
204.06602	11.9
206.04582	35.7
228.06667	2.4
230.04561	13.2
247.04776	1.9
248.05701	15.1
283.10547	1.4
290.06790	16.0
307.13916	4.4
308.14301	1.8
350.08853	15.3
431.82513	1.3
484.12561	23.6
587.49554	1.3
690.62714	1.1
698.29962	1.1
768.23590	33.5
769.24213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82862	0.9
59.01366	6.4
61.98836	27.1
66.36196	0.8
71.01369	6.0
83.01368	1.1
85.02951	1.5
85.63542	0.9
87.00879	1.0
89.02408	1.9
93.28979	0.9
96.96001	1.5
101.02421	5.1
108.02212	1.4
113.02408	3.9
116.92784	1.1
121.02989	1.0
122.02441	1.7
123.04505	2.2
130.23698	0.9
131.03630	1.2
132.04591	1.1
134.06133	1.0
136.01646	13.3
137.02396	1.0
144.04539	5.3
145.02946	5.1
146.03737	61.3
147.03267	1.3
147.04521	1.0
148.05290	7.7
149.99132	1.0
151.04041	12.9
159.04515	1.0
160.01749	2.3
160.04048	19.8
160.05315	1.6
161.02438	1.8
161.04709	2.6
161.06081	16.4
162.05595	37.0
163.03958	1.7
163.05980	4.5
167.03418	1.8
174.03197	5.8
174.05554	1.6
175.04021	5.4
178.05037	1.6
188.03542	25.4
189.03897	4.4
189.05565	5.8
202.05098	1.1
204.06702	1.2
206.04573	15.2
207.06633	3.5
217.01395	4.1
218.02217	73.0
220.25743	1.1
230.04677	1.8
232.03737	1.7
233.04565	100.0
234.04829	3.8
248.05756	1.3
290.06787	1.3
297.11374	1.7
341.10443	1.2
350.08798	2.1
367.08197	2.2
403.10303	5.6
440.15659	5.6
441.15875	5.3
442.16241	2.1
500.15112	1.2
544.15155	3.3
557.15082	9.4
709.19873	21.3
769.22339	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	769.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
59.01385	100.0
69.85792	1.0
71.01382	15.5
73.02944	5.8
78.84248	0.9
83.01392	2.1
85.02942	9.4
85.36237	0.9
86.72598	0.9
89.02430	5.6
93.03444	45.3
96.95969	2.1
99.00867	5.6
101.02444	18.2
113.02441	10.2
128.96669	0.9
137.02431	68.9
138.02696	1.2
161.04530	14.2
179.06622	0.9
233.10452	1.6
251.11383	26.9
293.12445	29.5
299.07758	1.1
431.12042	33.3
432.12405	2.2
436.47952	1.2
525.14429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
63.39503	0.4
67.14712	0.4
76.57559	0.4
78.95892	0.5
89.21660	0.4
99.08077	0.5
113.09703	2.2
156.86633	0.5
183.13934	3.4
195.13901	17.4
224.93314	0.5
237.33827	0.5
277.21729	18.0
281.24927	6.5
282.25281	3.9
283.25598	2.7
293.21164	0.6
295.22794	100.0
296.23120	3.0
430.13495	0.6
438.39661	0.6
449.26959	0.6
450.27118	1.8
451.27390	1.8
457.95593	0.6
657.80414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82782	0.3
55.01879	1.3
57.03458	2.5
58.00586	0.6
59.01387	32.4
59.10783	0.2
61.98817	1.6
65.25092	0.2
69.03436	0.3
71.01382	16.9
72.99288	1.3
73.02942	1.8
77.49850	0.3
78.55091	0.3
83.01379	2.1
83.05036	2.8
85.02943	7.1
87.00893	0.4
89.01881	0.5
89.02440	13.8
94.04210	0.3
95.01368	2.0
96.96011	0.6
97.02961	0.5
97.06591	0.6
99.00883	0.5
99.04523	0.3
101.02436	12.1
107.05011	1.8
109.02921	0.6
109.06564	1.8
111.04514	0.7
113.02448	6.4
119.02717	0.4
119.03496	4.3
122.03712	1.4
123.04539	0.3
124.05295	3.6
125.06057	1.6
132.02145	0.3
133.06590	2.2
134.03722	0.5
135.04550	0.5
136.05305	0.5
137.02466	0.5
137.06078	2.1
138.03242	0.7
138.06866	10.6
139.07655	18.3
141.06683	0.3
147.08180	0.4
149.09711	1.1
151.07637	7.0
154.40825	0.3
158.07347	0.7
160.01646	5.0
161.02328	0.6
161.04517	0.3
163.04007	0.5
173.09685	1.3
175.04007	5.7
175.07623	7.0
175.11275	0.4
182.05884	1.1
190.10039	0.3
191.10789	42.1
192.11104	1.3
193.05112	1.1
205.12100	0.4
209.11783	1.2
233.11830	0.5
234.53963	0.3
234.59918	0.3
235.09760	0.3
253.07336	0.6
257.32980	0.3
265.04895	0.3
355.10312	2.3
367.08221	0.5
415.16150	100.0
416.16534	5.2
447.72876	0.4
583.72406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
61.98834	28.0
71.01382	4.8
73.02933	2.8
81.90724	0.5
85.02939	1.5
87.00883	0.7
89.02450	1.3
93.03465	0.6
96.96008	1.2
97.02941	1.5
97.59727	0.7
99.00845	1.0
101.02442	4.1
113.02443	2.4
119.05038	1.2
121.02941	1.3
123.04476	1.1
125.02425	2.7
131.03531	0.8
132.04581	5.1
133.02917	2.6
134.03699	0.6
142.59052	0.6
144.04553	11.4
146.06120	1.0
147.03270	2.8
148.04031	1.1
149.02397	6.0
150.68608	0.8
159.03275	1.5
160.04036	37.5
161.04788	6.7
162.05603	100.0
163.05943	3.2
164.04816	3.3
174.05626	2.3
175.00325	1.0
175.04025	0.7
176.03592	0.9
176.07076	1.0
178.05107	2.8
186.05609	4.1
187.02718	4.8
188.03528	56.3
189.03909	1.2
190.02721	4.0
190.05101	1.0
202.05118	4.5
204.03123	0.8
204.06673	8.3
205.05087	3.1
206.04593	62.9
207.04921	1.5
223.06180	3.3
228.06635	1.0
230.04582	12.4
233.04660	0.7
248.05658	27.1
250.48425	0.7
272.05624	1.1
278.06641	4.8
290.06750	5.6
294.14566	0.8
308.07751	9.9
321.63040	0.6
350.08798	9.0
368.10007	5.3
392.09521	0.8
399.69308	0.7
410.11163	4.3
423.94128	0.7
434.11096	3.4
452.12134	5.1
484.12671	2.5
512.14154	41.0
513.14435	1.3
530.15234	3.0
574.15546	1.4
736.24481	8.7
757.38116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29889	0.7
57.82878	0.8
58.72613	0.7
60.07018	0.8
61.19018	0.8
64.81558	0.8
75.56510	0.9
84.44984	0.9
116.05061	1.3
117.41171	1.0
132.04472	1.0
133.02951	4.2
134.03728	100.0
135.04517	28.3
144.04541	14.2
146.06105	27.2
147.04570	1.4
149.06075	57.6
160.01659	5.4
160.04030	4.4
161.02399	2.2
161.06157	1.2
162.05554	11.2
172.03949	7.0
175.03975	6.2
188.03540	4.1
190.05092	20.0
197.18980	1.1
202.05191	1.1
204.06668	5.1
206.04578	4.3
231.08928	1.6
232.06104	4.2
232.09622	1.1
247.10858	9.5
248.11761	2.3
263.13828	1.5
273.08762	8.2
274.07257	1.8
274.09683	27.4
275.10043	1.2
289.11966	40.8
334.09409	13.5
423.15854	1.1
439.18762	78.2
440.18951	2.1
457.56580	1.0
560.17633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78803	1.2
59.01376	7.4
61.98833	2.1
71.01379	6.4
73.02948	2.8
74.43789	1.2
78.95915	1.5
87.00848	1.3
96.96001	32.1
101.02422	6.4
113.02460	2.2
116.05018	2.1
119.05006	1.8
120.16245	1.2
128.05063	1.7
131.03764	2.8
132.04555	12.6
134.03680	1.5
144.04576	33.2
146.06119	27.5
147.03291	3.2
160.04037	55.6
161.02440	2.2
162.05618	85.2
172.04057	6.4
173.06133	2.7
178.05109	11.4
188.03534	100.0
190.05101	14.8
200.01195	13.5
206.04591	24.1
217.02469	1.4
228.00662	24.5
229.01418	43.0
236.04686	1.6
237.05602	2.6
243.02979	36.0
249.05406	1.6
264.04187	1.6
265.05112	9.5
265.69644	1.6
266.05792	2.0
267.06741	2.6
279.06577	2.8
280.07379	7.9
281.08319	1.5
282.09042	2.1
283.06171	1.8
293.04303	1.9
295.09790	2.1
339.08884	1.6
341.10669	1.8
343.39105	1.4
351.05081	8.3
352.05896	7.4
367.08182	42.8
368.08499	1.7
379.23120	1.5
440.15640	61.8
584.20056	3.5
602.20813	2.0
775.21057	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70011	0.7
58.08868	0.8
59.01384	2.1
61.98842	2.0
63.47311	0.8
67.81581	0.9
68.63235	0.8
70.70330	0.9
71.01383	3.9
73.71025	1.0
76.18309	1.0
82.95440	4.1
85.02949	1.5
93.03472	1.3
96.95995	2.2
101.02462	4.0
113.02448	1.2
116.05076	1.9
119.05056	7.9
124.09924	0.9
131.03763	1.5
132.04576	11.5
134.03748	1.3
137.02481	1.0
141.06487	1.1
144.04555	25.7
145.02977	2.1
146.06139	21.8
147.03357	1.5
160.04042	55.8
161.02496	1.2
161.04507	1.4
162.05608	74.4
163.05940	1.8
167.03607	1.4
172.04042	4.4
175.04051	4.2
178.05095	11.9
188.03549	100.0
189.03911	1.6
190.05127	10.2
193.05032	1.7
206.04622	23.2
230.04779	1.1
245.88098	1.4
260.37466	1.1
388.26840	1.0
440.15707	67.5
441.15906	1.9
584.19806	4.3
602.21509	5.1
775.25214	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	775.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46198	0.2
57.03448	1.4
59.01369	0.4
60.05320	0.3
62.46576	0.3
64.52051	0.3
71.05006	0.3
73.89272	0.3
75.71723	0.3
83.05029	0.5
99.08152	5.8
106.54226	0.3
121.02953	8.5
125.09689	1.2
127.11297	2.5
129.09145	0.5
134.04730	0.6
139.11313	2.3
155.10733	0.4
155.14406	1.2
163.03915	0.4
165.12857	0.5
167.10741	0.3
167.14391	1.2
171.10269	7.1
179.03215	0.3
181.06587	0.6
183.13872	5.3
190.05247	0.3
193.12326	2.0
209.11833	1.5
211.13412	38.1
212.13782	1.2
229.14458	22.4
293.21274	1.2
310.39331	0.3
311.22260	0.5
313.07199	0.7
329.23370	100.0
330.23700	3.5
389.08990	0.3
445.11349	4.8
785.81665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.1
76.31999	0.2
78.95899	11.6
79.95729	1.8
81.20148	0.2
85.02980	0.2
94.79494	0.2
94.98093	0.3
96.00938	0.2
96.96003	100.0
96.96919	15.7
101.02419	0.2
116.05121	0.2
132.04549	1.0
144.04550	2.2
146.06114	1.8
160.04033	4.3
161.04408	0.3
162.05595	6.7
162.06941	0.3
163.05975	0.4
178.05132	0.7
188.03523	8.6
189.03874	0.7
190.05156	0.4
193.04918	0.2
204.17680	0.2
206.04570	2.0
227.44395	0.2
381.05350	0.2
406.19046	0.2
440.15707	4.2
441.16144	0.8
462.04126	0.2
541.83795	0.2
775.25977	0.8
775.47571	0.7
776.26080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2251
Annotation	2',6'-Diacetyl-3,6-diferuloylsucrose
Peak:m/z	Relative Intensity
54.37894	0.2
59.01387	3.2
65.24227	0.2
65.52265	0.2
71.01376	1.6
73.02942	1.0
83.01378	0.8
85.02974	0.3
87.00885	0.7
90.82459	0.2
92.12395	0.3
101.02399	1.7
102.73734	0.2
113.02428	1.0
117.03484	0.7
119.05043	0.2
121.02963	0.2
125.02432	0.2
125.58979	0.2
132.02167	26.8
133.02885	1.2
134.03734	19.6
135.04501	0.5
137.02419	0.9
149.06079	3.1
157.54485	0.2
160.01659	100.0
161.02252	2.2
161.04387	0.2
162.05569	0.4
175.04002	93.3
176.04358	1.7
178.02722	2.7
179.03452	0.8
190.05086	0.3
193.05066	13.9
219.40424	0.2
232.03685	0.2
240.72961	0.2
247.06065	0.5
265.07181	1.1
307.08356	0.2
319.08267	0.8
337.09396	1.4
356.77451	0.2
358.39789	0.2
513.14203	1.4
523.14868	0.3
541.15607	3.0
559.16791	2.7
583.16473	1.3
594.86536	0.2
601.17810	7.0
717.20386	3.2
735.20850	1.3
777.22424	5.9
778.22003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00673	0.3
59.01387	3.2
61.98847	0.5
64.76226	0.3
66.65234	0.4
67.19045	0.3
71.01385	1.6
73.02952	0.7
85.02981	0.7
87.00853	0.5
89.02449	0.4
92.52035	0.3
96.96028	0.5
101.02421	1.3
109.65974	0.3
113.02420	0.8
117.03503	0.5
121.02875	0.4
132.02162	27.3
133.02982	2.5
134.03728	19.7
135.04449	0.7
137.02426	1.6
139.04091	0.5
142.31929	0.4
146.06128	0.5
149.06047	2.6
160.01648	100.0
161.02432	4.5
162.05606	2.1
175.03990	96.9
176.04448	0.7
178.02669	2.5
179.03487	1.3
188.03561	0.5
190.02623	0.5
193.05043	12.5
205.05003	0.4
207.06787	0.4
221.08177	0.4
247.05902	0.5
265.07108	1.7
319.08362	0.7
337.09235	1.4
513.13971	1.2
541.15704	3.1
559.16656	3.2
583.16437	1.7
601.17810	4.0
624.57416	0.4
717.20477	4.5
735.21350	3.9
777.22223	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	777.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44849	0.2
59.01363	0.5
65.07205	0.2
66.30196	0.2
70.39740	0.2
71.01376	1.7
73.02934	0.2
81.65304	0.2
83.01373	0.3
85.02917	0.8
92.09724	0.2
101.02435	0.5
105.03472	0.2
106.04243	0.4
107.04979	0.4
109.42633	0.2
113.02422	0.8
115.00939	0.2
117.03403	0.4
119.05014	0.8
121.02900	0.5
132.02141	7.4
133.02937	4.5
134.03716	100.0
135.04510	26.9
135.05594	0.4
136.04822	0.2
137.02431	0.8
139.03979	0.3
139.75385	0.2
144.04544	0.3
146.06125	0.3
147.04529	1.3
148.05290	2.8
149.06056	52.9
150.06416	0.4
160.01633	41.2
161.02437	2.7
161.04704	0.3
161.06070	1.7
162.03204	0.4
162.05534	1.5
175.03973	44.1
176.03372	0.4
176.04724	0.4
177.01897	0.2
178.02730	0.4
178.05014	0.2
179.03426	0.3
186.09137	0.3
188.03503	0.3
189.04218	0.2
190.05063	2.5
191.07170	0.4
193.05035	8.7
204.06610	3.7
206.04553	0.2
217.05057	0.5
218.08183	0.8
229.09866	0.4
230.08195	1.9
231.09013	2.7
232.09831	0.3
235.06281	0.3
245.09340	0.2
246.11298	1.0
247.10866	7.5
248.11592	3.8
249.08112	0.2
261.12332	0.2
263.13962	2.7
273.08777	8.7
274.09576	29.5
275.10184	1.8
277.07364	0.3
289.11932	32.5
290.12277	0.5
322.06897	0.4
337.09286	32.7
338.09564	0.9
423.15762	1.6
424.16202	0.3
439.18726	39.8
440.19025	1.2
601.23871	1.5
627.21948	3.5
631.27515	0.3
777.28766	28.6
778.28851	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	777.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33087	0.3
60.82978	0.3
62.96413	1.2
78.95905	30.6
96.96950	1.4
117.82060	0.3
119.05064	0.4
149.00092	17.8
152.99608	0.4
158.92534	1.3
179.01151	1.9
205.16022	1.2
374.38895	0.3
417.12704	0.5
431.10556	2.1
447.13492	100.0
448.13849	4.9
720.90106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83094	0.8
55.01867	0.8
58.00587	1.0
59.01113	1.7
59.01389	32.6
61.98828	0.9
62.19613	0.8
71.01381	17.5
72.99287	1.0
78.86049	0.8
85.02922	4.5
89.02436	21.7
96.45545	0.7
96.95985	1.1
99.08180	1.1
101.02460	7.9
113.02433	3.3
119.03450	1.3
127.07607	1.1
130.08714	100.0
131.03511	4.3
134.03706	1.0
144.04533	4.6
146.06117	3.5
153.01903	0.9
160.01662	1.9
160.04022	13.2
161.02391	1.4
161.04436	1.5
162.05600	31.7
163.05856	1.5
174.05603	1.0
175.03938	1.2
177.27975	0.9
178.04987	1.1
188.03525	17.1
190.02568	1.2
190.05130	1.5
193.05133	1.0
206.04562	12.4
207.04764	1.2
229.25307	0.9
230.04471	0.9
248.05591	1.1
252.02286	1.1
304.19208	6.9
323.13388	1.6
350.09152	1.3
402.65863	0.9
410.21844	1.3
440.15674	4.2
454.24466	29.9
472.25568	18.0
509.55594	1.0
778.26672	2.3
778.38666	63.8
779.39453	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	779.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82648	0.6
59.01370	2.7
61.98834	1.1
71.01363	2.7
81.98350	0.6
86.98772	0.6
89.02430	0.6
96.95971	0.9
101.02412	1.1
102.84222	0.6
108.21249	0.6
122.02475	3.5
122.60001	0.6
132.04494	1.2
134.06175	0.8
144.04552	6.5
145.03008	0.8
146.06131	1.1
147.03232	2.9
148.04008	3.6
160.04028	21.0
162.05602	100.0
163.05919	3.4
172.04001	0.6
174.05605	1.4
178.05069	0.8
186.05583	4.1
188.03526	52.7
190.02605	1.5
190.05150	0.9
202.05127	1.3
204.06676	1.1
205.63931	0.7
206.04594	65.0
207.04860	1.6
230.04573	5.8
248.05617	25.0
249.05934	0.7
269.04626	0.8
308.07544	1.0
350.08722	0.8
473.11777	2.8
512.18103	5.9
515.12848	1.2
779.25043	37.1
780.25299	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	779.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.3
60.08807	0.5
62.53258	0.5
64.34314	0.4
71.01385	2.1
76.56998	0.6
85.02943	0.8
87.00854	0.9
89.24284	0.4
91.59251	0.5
96.95971	2.6
101.02439	0.9
113.02422	0.6
119.05006	2.0
120.04564	0.9
122.02463	6.8
125.26112	0.5
132.04521	0.7
134.06053	0.9
136.97006	0.6
144.04550	8.8
145.02968	1.2
146.06090	0.8
147.03259	4.5
148.04060	3.3
160.01813	0.6
160.04031	20.8
161.02446	0.9
161.04398	0.7
162.05598	100.0
163.05971	3.3
167.03542	0.7
174.05583	2.1
175.03987	1.2
178.05109	1.1
179.70856	0.6
186.05624	4.9
188.03525	43.1
189.03896	0.9
190.05138	0.8
193.05104	1.0
202.05110	0.7
204.06659	1.2
206.04596	65.0
207.04895	2.1
230.04552	6.4
248.05652	22.2
270.07776	0.6
350.09103	2.0
473.11945	2.8
512.17767	5.2
515.13086	0.8
694.20581	0.6
779.25201	36.4
780.25531	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	779.4583
Annotation	Depressoside C
Peak:m/z	Relative Intensity
57.03455	100.0
59.01383	62.0
71.01378	25.9
73.02929	8.6
75.40267	2.2
78.95902	3.9
83.01366	4.9
83.78089	2.4
85.02946	14.0
86.00066	2.6
87.00869	5.7
99.00833	3.3
99.04516	49.7
101.02431	31.1
113.02433	4.5
116.92825	14.2
125.02403	14.4
139.28372	2.2
139.52298	2.6
149.06076	3.6
152.68680	2.4
152.99532	2.3
161.04625	3.0
165.09186	4.6
199.30681	2.2
245.02670	2.5
277.45920	2.4
285.05637	5.6
385.14752	4.8
473.36679	4.9
580.12817	2.7
617.40643	14.9
635.41925	28.4
677.43109	3.2
717.45850	2.8
779.46149	97.2
780.45251	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	781.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55213	0.1
59.82542	0.2
66.27311	0.1
74.60159	0.1
78.67948	0.2
78.95901	42.4
96.95955	2.6
96.96957	100.0
127.92130	0.1
190.58008	0.1
192.18922	0.1
439.08594	21.4
440.08887	1.2
440.41684	0.2
587.72760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38313	0.4
57.91111	0.4
59.01386	0.9
61.98820	0.4
63.03611	0.3
63.95596	0.4
67.25265	0.4
74.46162	0.4
78.02635	0.4
83.86955	0.4
102.81210	0.5
111.00818	0.4
112.70673	0.4
117.03469	7.9
117.81881	0.5
119.05018	100.0
120.05394	1.7
121.02952	1.8
129.15015	0.4
133.02985	0.6
134.03729	10.3
135.04550	5.7
145.02951	13.7
146.06108	1.8
149.06117	6.3
160.04086	0.8
162.03262	2.1
162.05609	6.0
163.04007	28.8
165.01923	0.7
181.05135	0.5
188.03534	2.9
190.02779	0.5
192.04272	0.6
204.06674	1.0
206.04602	1.9
216.10371	1.0
235.98871	0.5
247.10913	1.7
259.10858	5.6
273.08942	0.6
274.09583	6.0
289.12018	6.1
371.11102	0.6
408.17145	0.7
409.17865	7.6
463.18927	0.9
599.24213	2.2
635.26331	3.5
649.01703	0.7
661.24329	4.8
781.29968	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	781.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
55.94135	0.2
57.03457	0.4
57.13897	0.2
58.00609	0.5
59.01388	26.2
61.98803	0.2
63.72355	0.2
66.84502	0.2
71.01387	12.0
72.99299	1.9
73.02944	1.2
75.00860	0.4
79.33582	0.2
83.01379	1.6
85.02957	3.6
87.00885	1.0
89.02441	17.9
95.01357	1.1
96.95979	1.1
97.03008	0.3
99.00816	0.3
99.08151	15.4
100.08446	0.3
101.02436	11.6
113.02448	6.6
113.09705	0.4
115.90101	0.2
119.03476	7.7
127.07638	3.6
129.09192	1.6
131.03453	0.4
134.03734	1.5
137.02437	0.3
141.09236	1.6
143.03499	0.5
144.04526	0.4
145.08701	54.0
146.09062	0.4
149.04512	0.3
160.01671	1.5
161.04515	0.5
162.05623	1.6
167.03400	0.3
175.04010	1.5
179.05602	0.3
187.09743	1.5
188.03423	0.3
193.05038	1.3
206.04590	1.1
226.22462	0.3
249.06021	0.3
266.14285	0.2
267.07281	1.1
307.13989	100.0
308.14273	2.8
313.58289	0.3
323.10327	1.3
385.11469	1.1
404.94495	0.3
473.16763	1.1
541.14600	0.5
802.27448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92064	0.2
61.81721	0.2
70.23075	0.2
78.95897	4.3
79.69144	0.2
110.98525	3.2
113.29691	0.3
152.99564	0.3
167.01158	1.5
169.49190	0.3
185.02248	2.2
281.24863	100.0
282.25290	2.5
326.39185	0.3
393.05954	0.2
449.26767	28.7
450.27213	1.0
462.66595	0.3
715.02020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98813	0.4
62.38728	0.2
71.01363	1.1
73.02937	0.2
85.02959	0.4
89.02432	0.3
93.03450	3.8
96.32236	0.3
96.95967	1.2
101.02445	0.5
108.41850	0.3
112.03008	0.2
113.02472	0.3
117.56137	0.2
119.05016	2.0
120.04550	1.8
122.02510	0.4
132.04530	0.5
134.06154	2.0
137.02449	7.1
144.04572	2.1
147.03267	5.4
151.03960	0.4
160.01668	0.4
160.04027	13.0
161.04657	0.4
162.05598	100.0
163.05940	1.6
175.02507	0.3
175.03946	0.4
188.03513	8.2
204.06697	0.3
206.04591	36.6
207.04958	0.6
281.06696	2.1
314.67963	0.3
350.08582	0.4
381.18930	0.4
782.21552	26.1
783.21802	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	783.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	0.2
59.01395	4.9
70.52771	0.2
71.01390	3.2
81.62025	0.2
85.02953	0.2
88.35873	0.2
89.02441	4.9
105.03447	0.8
106.04226	0.2
107.04993	0.8
113.02473	0.3
117.03496	0.2
119.05014	0.7
121.02962	0.2
129.99225	0.2
131.03502	0.3
133.02957	3.9
134.03734	100.0
135.04527	29.9
136.04852	0.4
137.02446	0.7
140.30524	0.2
147.04512	1.2
148.04167	0.4
148.05286	2.6
149.06079	66.4
150.06416	0.4
160.01643	2.3
160.04071	0.4
161.02422	2.2
161.06067	1.9
162.03212	0.4
162.05603	0.8
175.02699	0.7
175.04007	3.2
176.03555	1.0
178.05078	0.2
186.09254	0.2
188.03482	0.2
190.05130	3.1
193.12332	0.3
195.61720	0.2
204.06686	4.1
204.09909	0.2
205.11246	0.2
218.08270	0.8
219.11497	0.2
229.09882	0.4
230.08237	2.0
231.09016	2.2
232.09764	0.9
246.11211	0.9
247.10883	11.4
248.11613	3.8
261.12448	0.4
263.14050	2.5
273.08817	7.3
274.09607	27.5
275.10172	2.7
282.10095	0.2
289.11951	37.4
290.12231	0.9
303.12762	0.2
339.10550	0.2
343.17566	2.2
343.21057	0.2
423.15750	2.7
424.16422	1.6
439.18781	82.7
440.19278	3.0
463.10663	0.2
642.48865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69606	1.0
57.03455	2.0
59.01389	13.0
71.01382	6.6
73.02952	1.0
75.71851	0.9
83.05019	1.9
85.02965	1.8
86.04945	1.0
87.04534	1.9
88.04041	2.4
89.02444	12.1
95.04983	1.5
97.06534	1.2
101.02472	1.4
109.06635	1.3
121.06516	1.5
125.09711	1.5
133.02960	5.6
134.03735	99.3
135.04535	30.5
145.03026	1.4
147.04559	1.4
149.06079	63.5
151.11238	1.2
160.04056	1.6
161.02567	2.0
162.05603	4.5
171.10320	11.7
175.04044	2.5
190.05060	1.6
199.13417	4.6
201.11369	7.2
204.06705	5.0
209.11841	8.7
211.13472	8.6
229.14461	5.7
237.15007	2.7
247.10997	10.6
248.11633	5.8
263.14127	1.6
273.08920	7.4
274.09592	27.4
275.10080	2.0
289.11963	36.9
291.82834	1.4
325.20227	2.5
343.17657	10.2
343.21298	100.0
344.21600	4.6
358.32724	1.3
409.23730	1.2
423.15506	2.4
431.47046	1.6
439.18802	82.0
440.18991	5.4
565.67804	1.4
586.86542	1.4
736.57642	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04406	0.5
59.01379	2.4
59.23260	0.4
69.80924	0.5
71.01378	1.0
73.02955	0.7
78.95907	100.0
80.08823	0.5
85.02953	0.6
86.79741	0.5
89.02434	1.3
93.03491	0.5
95.01447	0.6
96.95966	1.8
96.96954	68.4
101.02431	0.6
103.51966	0.6
106.59508	0.6
113.02508	0.5
120.92838	0.5
134.04706	6.5
150.98064	2.3
151.99864	0.5
158.92543	9.8
160.04103	1.0
162.05638	1.2
162.98030	4.0
165.05537	4.9
174.98032	0.6
177.96703	0.5
180.99081	9.2
195.00705	3.4
198.06737	1.0
206.04623	0.8
211.00089	0.7
212.08417	2.5
241.07336	4.4
244.50427	0.6
255.08908	4.1
272.95847	1.1
337.15344	0.9
346.05582	19.3
408.01224	1.2
437.08701	25.4
437.14545	0.9
459.15390	1.2
460.15842	0.7
460.47220	0.6
517.05499	0.8
609.58582	0.5
784.15051	11.5
784.28131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	29.4
61.98859	0.8
71.01391	14.2
72.99303	3.8
78.86955	0.7
78.95920	7.8
83.01406	0.7
85.02950	4.0
87.00864	0.9
87.06873	0.7
89.02439	18.1
93.27020	0.7
96.95986	3.2
96.96956	8.4
100.29244	0.7
101.02429	9.6
102.17432	0.9
112.57604	0.6
113.02437	7.2
119.03520	6.4
119.05035	1.7
146.06107	1.1
147.04521	80.2
165.05583	13.7
167.03447	1.3
227.85091	0.9
289.97705	0.8
327.10889	100.0
328.11243	3.8
332.18887	0.7
437.08859	1.1
456.15540	0.9
607.70801	0.9
714.67639	0.9
784.15387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95548	0.1
56.39638	0.2
56.53416	0.2
63.45795	0.2
64.34772	0.2
64.58813	0.2
69.86358	0.2
69.98820	0.2
71.61689	0.2
91.01884	0.2
115.95673	0.2
120.02155	1.0
121.02942	100.0
122.03246	1.4
136.01591	0.4
165.01906	2.0
170.44026	0.2
180.05811	0.4
181.06566	3.0
191.03445	1.8
209.04564	39.1
209.70596	0.2
210.04834	0.3
225.05617	2.3
313.07242	5.3
325.99203	0.2
357.06027	1.3
363.34259	0.2
401.08826	7.6
549.10681	0.3
741.14520	0.4
785.17126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.3
58.19266	0.4
59.01376	1.8
59.42242	0.4
60.91636	0.3
64.12684	0.4
78.95901	10.7
88.75394	0.3
96.96004	2.0
96.96958	0.4
97.06576	0.5
109.06555	0.5
113.09724	17.5
131.53192	0.4
139.11282	2.2
149.09758	0.5
152.99605	2.7
167.10762	2.2
168.04291	2.0
171.10281	1.7
177.12802	0.5
179.10779	1.7
195.13968	2.8
224.06932	3.9
242.07857	0.8
249.22253	2.5
255.23317	53.5
256.23654	2.1
275.20282	1.7
279.23267	0.5
293.21246	100.0
294.21552	3.1
469.57346	0.4
480.31012	36.5
481.31155	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.1
61.98824	0.4
63.71251	0.2
64.89590	0.2
67.51390	0.2
71.01378	0.5
73.02943	0.6
89.03962	0.4
101.02395	1.1
109.57348	0.3
113.02453	1.1
116.05011	0.3
117.03460	40.9
118.03763	0.4
119.05019	7.5
121.02998	0.3
130.27409	0.3
132.02164	3.9
133.02914	1.1
134.03735	7.9
137.02370	0.3
144.04578	0.4
145.02959	100.0
146.03325	1.6
146.06137	0.6
149.06076	1.3
160.01657	20.2
161.02399	1.3
162.05605	1.2
163.04010	5.7
175.03996	18.9
178.02716	0.6
188.03558	0.5
193.05072	6.1
205.04976	0.3
206.04617	0.4
235.06174	0.3
241.15256	0.2
248.05832	0.3
252.70361	0.3
263.13638	0.3
265.07205	0.5
337.09625	0.3
429.58463	0.3
483.13205	1.3
571.16516	0.5
583.16974	0.3
601.17792	1.5
613.18170	0.4
643.19257	1.1
687.18506	0.4
705.20203	0.4
729.20264	1.9
747.21411	4.2
748.22101	0.4
789.22504	11.5
790.22638	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	789.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32159	0.5
61.98833	3.4
82.02869	0.5
85.11633	0.6
85.61153	0.5
111.28146	0.7
117.03457	5.5
119.05019	100.0
119.89871	0.6
120.05318	1.4
121.02943	1.2
123.00878	0.9
128.77805	0.5
140.05661	0.5
145.02948	8.4
151.00386	3.5
161.30936	0.5
163.04015	42.2
166.02687	6.4
172.50513	0.5
177.01923	2.4
177.05571	5.8
178.02773	0.6
181.05042	6.2
181.60916	0.6
193.05042	0.9
221.08228	0.7
327.79202	0.8
371.11218	1.0
387.10760	2.8
403.14136	1.3
417.15585	1.4
558.84198	0.6
759.27075	1.0
789.27759	16.0
790.28387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33471	0.3
61.98844	2.6
91.91738	0.4
92.81078	0.4
93.03440	1.5
101.73267	0.4
117.03462	3.0
119.05019	100.0
120.05366	2.0
121.02917	0.9
134.04723	0.6
137.02429	0.5
145.02948	2.5
151.00345	2.5
151.38667	0.4
152.14088	0.4
163.04015	41.5
164.04393	0.7
166.02699	5.6
167.50354	0.4
177.01965	0.8
177.05577	5.2
181.05095	4.3
191.19693	0.4
192.04288	1.9
193.05429	0.3
257.37680	0.4
371.11328	0.5
372.12411	0.5
387.10696	0.8
402.13110	0.6
403.14001	2.4
417.15707	0.8
789.27686	10.6
790.27820	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	100.0
62.98570	0.2
67.30880	0.2
71.69601	0.1
83.55518	0.1
119.05025	2.3
120.05363	0.2
124.04039	0.2
131.84323	0.2
145.02979	0.3
162.05731	0.2
163.04008	1.7
169.86127	0.2
235.10339	0.2
291.86484	0.2
545.18463	0.3
727.24200	1.1
783.14655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.17358	0.2
117.03481	1.1
119.05018	8.4
130.11882	0.3
145.02985	2.9
163.04025	5.6
176.04823	0.2
204.89360	0.3
416.13593	0.3
581.20654	0.3
586.04285	0.3
727.24133	3.3
728.24194	0.3
824.26984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.1
61.98835	100.0
65.80809	0.1
72.68684	0.1
87.31173	0.1
89.18050	0.1
92.07419	0.1
117.03448	1.0
119.05013	3.2
129.02809	0.1
145.02957	2.1
146.03302	0.1
163.04022	2.4
166.02754	0.2
167.03497	0.1
197.33054	0.1
222.18442	0.2
283.08395	0.1
446.59238	0.1
581.86646	0.1
727.23975	4.1
728.24463	0.5
729.24213	0.2
730.25360	0.2
781.55994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01379	1.1
60.70414	0.1
63.67358	0.1
69.03455	0.3
78.95898	5.5
83.04185	0.2
83.05031	0.3
85.94421	0.2
92.11674	0.3
94.74546	0.1
99.08159	0.3
115.38792	0.2
125.09715	1.3
127.11261	0.3
137.52463	0.1
141.12840	1.0
152.09122	0.1
152.99591	1.8
168.04347	1.4
171.10262	34.8
172.10588	0.4
185.11778	0.3
195.13972	0.3
205.78740	0.1
214.79619	0.1
224.06982	0.7
233.22762	0.3
242.07999	1.9
251.23906	0.2
255.23302	92.2
256.23630	2.4
259.20596	0.7
275.20346	0.3
277.21722	44.3
278.22089	1.3
279.23236	0.3
280.23654	0.2
295.22791	100.0
296.23148	2.6
447.25354	0.2
448.25659	0.2
480.30981	37.2
481.31348	1.3
719.35791	0.2
731.48608	0.3
737.27344	0.2
790.56378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.3
61.98806	1.7
71.01389	3.4
89.02448	4.1
90.29818	2.0
93.03461	39.2
96.96004	4.4
113.02464	2.2
136.01634	9.8
137.02435	100.0
142.07269	1.9
149.93880	1.8
174.04706	1.9
177.41454	1.8
179.03511	54.4
191.03482	1.7
200.08791	1.9
202.60741	1.8
209.04605	2.2
281.06705	2.8
431.12115	13.8
456.47705	2.1
461.12906	3.3
473.12805	17.0
503.14499	2.5
533.14972	8.2
671.48645	2.1
755.22614	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	791.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93363	1.3
59.01397	5.2
64.04039	1.4
71.01381	3.7
87.32275	1.5
88.64309	1.3
89.02434	1.8
93.03460	43.1
96.95989	3.6
99.00868	1.7
113.02514	2.0
127.05798	1.6
135.04562	2.3
136.01703	11.3
137.02443	100.0
151.04016	1.7
152.25713	1.4
161.70667	1.5
179.03502	59.5
179.04990	2.8
209.04593	2.2
239.05620	6.2
265.05475	1.6
281.06537	6.0
299.07458	1.7
431.11990	18.2
461.13019	6.4
473.13141	18.5
522.09650	1.5
533.15253	6.0
755.22632	23.8
787.16498	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	791.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
61.98846	0.3
71.01373	1.1
73.02937	0.4
85.02972	0.3
89.02406	0.6
101.02438	1.5
105.03455	1.1
109.02918	1.2
113.02479	1.0
117.03462	0.6
122.02464	0.6
125.02458	0.3
132.02171	3.2
133.02950	44.9
134.03497	0.6
135.04518	27.8
136.04817	0.5
144.04541	0.4
146.06088	0.6
149.02361	0.3
149.06087	0.3
153.11945	0.3
160.04019	1.3
161.02444	100.0
162.02795	2.3
162.05586	4.6
163.05945	0.5
164.04861	0.3
165.38597	0.3
179.03502	22.7
188.03535	1.7
190.05089	0.4
198.57291	0.3
203.03622	0.3
205.05219	0.4
206.04604	1.9
207.06674	0.4
233.04642	0.4
248.05513	0.3
251.05655	1.8
269.55869	0.3
283.61401	0.3
323.07581	2.1
349.36539	0.3
527.13690	0.4
545.15234	0.4
587.16510	2.0
629.17291	7.9
695.00366	0.3
731.31287	0.4
749.19434	1.5
771.96948	0.4
780.03217	0.3
782.22998	0.3
791.20361	18.0
792.20306	2.1
806.36420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03426	0.4
59.01372	2.9
60.99298	0.8
61.98825	1.8
64.34360	0.4
65.84461	0.4
71.01373	2.4
72.99319	0.4
73.02930	0.9
73.50630	0.3
83.01378	0.4
83.09534	0.4
85.02946	1.0
87.00837	0.6
87.80608	0.4
88.98795	7.0
89.02438	0.6
91.01870	0.7
92.11655	0.9
96.96001	1.9
101.02444	2.9
113.02420	1.8
116.05048	0.5
119.04978	0.9
120.04545	1.0
131.03796	0.9
132.04532	11.9
134.06126	0.9
137.02386	0.6
144.04549	20.6
146.06096	3.8
147.03218	3.4
148.04088	0.7
158.06107	0.8
159.03212	2.3
160.04031	60.4
161.02377	0.7
161.04767	4.3
162.01976	4.4
162.05595	100.0
163.05914	2.0
172.04140	0.7
174.05560	1.8
176.03450	0.6
176.07135	1.7
178.05098	10.2
186.01956	0.5
186.05569	2.8
187.02766	2.6
188.03523	98.2
189.03885	0.8
190.05080	3.7
202.05118	4.5
204.03011	2.1
204.06696	5.0
206.04588	27.6
207.04892	0.7
211.05490	0.4
228.06606	0.7
230.04594	6.6
235.08316	0.4
248.05632	10.9
250.52982	0.4
262.07202	0.5
290.06802	5.0
350.08841	16.0
440.15634	39.6
441.16116	0.8
456.15295	3.0
502.56787	0.4
539.13123	0.9
557.14691	0.6
595.27167	0.4
616.85797	0.5
629.16852	0.5
791.25140	20.4
792.25525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57495	0.2
67.49892	0.2
78.95903	7.5
113.09711	0.4
142.08377	0.3
152.99554	2.0
168.04346	1.3
169.12306	0.6
183.13896	42.5
184.14174	0.4
224.06909	2.9
255.23308	37.8
256.23645	1.3
279.23309	8.5
280.23718	0.3
281.24875	0.3
295.22693	0.4
296.23068	0.3
297.24368	100.0
298.24707	3.3
402.65829	0.3
480.31018	22.9
481.31271	1.3
771.45251	0.3
772.98871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	3.8
69.02102	0.3
70.08202	0.3
82.26810	0.4
91.01282	0.4
93.03455	1.0
94.20313	0.4
94.69770	0.4
117.03458	2.7
119.05021	100.0
120.05344	0.6
123.00851	0.6
124.01667	0.4
124.54549	0.5
133.02937	0.7
134.03737	52.6
135.04533	12.7
138.03236	2.3
143.05051	0.8
145.02971	4.4
147.04544	0.6
148.05328	1.7
149.06084	23.9
153.05557	2.0
155.18855	0.4
158.03781	0.5
160.01709	2.4
161.02498	1.6
163.04018	41.7
164.04327	0.8
171.04523	5.1
175.04004	2.1
186.06921	1.0
190.05124	0.7
210.06895	0.8
218.05835	0.5
229.07556	0.7
231.09029	0.8
237.05666	0.9
238.06512	1.6
247.10756	1.0
248.04887	0.8
249.05623	2.3
250.06451	2.2
265.05029	4.1
266.05878	6.7
270.10089	0.6
273.08856	2.8
274.09616	9.3
276.04395	0.8
277.05032	4.2
278.05917	2.2
279.06500	0.6
280.07623	0.4
281.08264	1.9
289.11972	5.3
291.06775	0.8
292.07507	0.9
293.04593	5.2
293.08032	0.9
294.05402	12.5
295.06091	1.0
298.09595	1.7
308.07013	2.0
309.04425	0.9
309.07733	17.4
310.08197	1.4
311.10034	0.6
313.11963	0.6
323.09232	5.3
324.10062	20.6
325.10684	1.8
339.12418	7.2
343.13806	0.4
382.67905	0.4
389.11139	0.5
421.14508	0.8
434.11185	0.7
436.17554	2.5
449.13614	4.5
463.14764	1.4
464.15817	5.6
479.18292	35.4
480.18472	1.9
491.85818	0.4
599.20978	0.7
614.22729	0.8
615.23785	1.5
629.25159	68.3
630.25470	4.3
643.22821	1.7
647.26392	1.0
793.30023	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	793.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.2
78.40318	0.4
79.13804	0.3
93.03461	0.5
117.03452	0.7
119.05019	96.1
120.05365	2.0
121.02951	0.8
124.28744	0.4
132.02118	0.5
133.02939	1.6
134.03737	100.0
135.04538	18.5
145.02931	0.7
147.04530	0.9
149.06079	45.6
150.06433	0.4
160.01630	2.0
160.04166	0.5
160.78409	0.4
161.02420	2.5
161.06067	0.7
163.04015	47.2
164.04349	0.6
175.02701	1.4
175.04065	2.0
176.03491	0.7
190.05074	0.8
204.06625	1.9
209.05997	0.7
210.06857	0.8
211.07712	2.4
221.05966	0.6
222.06920	0.6
223.04059	0.5
223.07697	0.4
224.08429	0.8
237.05553	1.6
238.06285	2.0
239.07112	0.5
247.10869	1.8
248.11510	0.4
249.05556	2.6
250.06380	2.0
251.07063	2.0
254.92271	0.4
263.06964	0.6
264.07742	0.8
265.05069	1.5
265.08063	0.5
266.05762	0.9
274.09464	0.6
277.05099	0.6
278.05710	0.7
279.06543	2.1
280.10074	0.5
289.11932	1.5
291.06705	0.7
292.07269	0.6
293.08047	1.8
294.05304	1.5
294.08508	0.5
309.04343	0.7
309.07690	8.4
310.08359	1.0
323.09302	0.7
323.13834	0.9
324.10135	2.7
325.10507	0.5
339.12253	0.6
350.13281	0.5
352.14291	0.6
363.13550	0.6
364.14319	0.5
378.12247	0.9
379.12793	0.6
387.53503	0.4
390.12375	1.7
391.12878	0.7
393.14529	0.9
405.14725	0.7
406.12534	3.0
409.17480	0.5
417.10709	0.7
418.11670	0.5
419.12457	1.4
421.14059	4.3
422.14725	0.5
423.15753	3.3
431.12341	0.8
432.13007	0.7
433.14136	4.0
436.17368	0.6
447.15561	0.5
449.13513	12.8
450.13974	0.9
464.15695	5.0
465.16550	0.4
479.18292	47.3
480.18219	1.7
484.20038	0.7
569.19519	0.5
571.20642	0.8
581.19006	0.6
582.19519	0.8
583.20654	1.8
599.20483	10.2
600.20770	0.7
613.21838	1.7
614.22656	5.2
629.25146	68.7
630.25690	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	795.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70551	0.2
99.61654	0.2
99.92575	6.3
114.93423	0.3
116.92852	100.0
117.01951	0.4
117.92861	1.9
146.64853	0.2
279.23306	1.7
320.63174	0.2
325.18338	0.2
432.29099	0.2
447.25128	0.4
498.00665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10094	0.1
59.94005	0.1
63.27600	0.1
73.02943	0.5
78.95898	0.6
82.50957	0.2
85.87107	0.2
99.92577	7.1
100.92612	0.1
114.93414	0.7
116.92850	100.0
116.97217	1.4
117.01925	1.0
117.92847	1.9
125.53207	0.2
144.78185	0.2
279.23267	0.4
289.00018	0.2
311.16925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.1
71.01366	0.3
73.02946	2.6
75.00847	0.2
77.48012	0.1
87.00890	0.2
92.64993	0.1
99.00858	1.7
99.92579	6.5
100.92617	0.1
105.42397	0.1
114.93403	0.2
115.03983	0.1
116.07159	0.6
116.92851	100.0
117.01926	5.6
117.05531	0.2
117.92867	2.4
160.03951	0.2
162.05634	0.5
190.02733	0.2
205.05113	0.2
206.04668	0.2
560.67761	0.2
677.50275	0.6
713.47424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74247	0.2
59.01373	1.1
71.01378	1.5
73.02956	0.4
84.23755	0.2
85.02930	0.9
85.71782	0.2
87.92786	0.2
89.02421	0.8
93.03449	0.3
96.95995	0.3
99.00874	0.3
101.02429	1.1
107.04993	1.2
113.02419	1.0
118.03000	0.3
119.05041	1.5
120.04565	2.6
121.02959	0.3
122.02514	0.4
123.04488	0.8
125.02295	0.2
130.08737	0.2
132.04518	0.8
133.02939	1.5
134.02370	0.2
134.06145	2.1
135.04514	0.3
137.02449	0.9
144.04552	2.0
147.03259	5.8
151.04001	0.3
160.04037	12.6
161.02461	2.8
161.04553	0.9
162.05602	100.0
163.05940	1.9
175.03981	0.3
176.03572	0.4
179.02127	0.3
188.03532	6.9
206.04593	52.6
207.04916	1.4
248.05583	0.2
249.94461	0.2
280.99792	0.2
304.55316	0.2
368.09799	0.4
445.13574	1.9
530.14960	0.3
589.17676	1.3
685.86816	0.2
796.23047	16.1
797.23566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
62.68294	0.1
71.01399	1.3
73.02938	0.2
85.02939	0.7
89.02442	0.4
89.79530	0.2
92.11783	0.2
93.03463	0.6
96.96011	0.3
101.02428	0.8
105.45773	0.2
107.05029	1.3
113.02440	0.9
118.03012	0.2
118.72260	0.2
118.96150	0.2
119.05032	1.8
120.04542	1.9
121.11629	0.2
122.02505	0.2
123.04529	0.7
124.04041	0.2
130.08745	0.4
132.04590	0.3
133.02937	1.1
134.02484	0.2
134.06114	1.9
137.02444	1.3
144.04579	1.6
146.06140	0.2
147.03256	5.4
151.04073	0.4
160.04036	12.3
161.04573	1.2
162.05608	100.0
163.05988	2.1
176.03568	0.4
179.02148	0.3
179.03577	0.3
188.03537	7.4
204.06740	0.3
206.04602	49.8
207.04945	1.3
211.16440	0.2
368.09793	0.7
445.13528	0.7
461.13040	0.3
472.25732	0.2
476.63892	0.2
589.17841	0.9
635.23242	0.2
796.23090	14.1
797.23926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01376	1.2
60.32425	0.2
67.89256	0.2
78.82857	0.2
79.95721	0.6
88.82448	0.2
93.03455	0.3
95.04992	0.3
96.96001	100.0
111.04511	0.3
111.08151	0.3
119.05019	2.5
121.06591	0.3
137.09558	0.3
139.07649	2.6
145.02965	0.4
153.09224	0.3
160.04024	0.4
162.05630	0.5
171.11845	1.8
188.03558	0.5
189.12929	1.2
206.04602	0.4
207.13916	0.4
219.13947	1.3
237.14943	4.4
242.78014	0.3
243.06587	0.3
281.13956	2.8
290.18823	0.5
316.16489	0.4
361.09656	79.0
362.10013	1.7
410.96182	0.3
411.92636	0.3
429.67877	0.2
436.22385	1.3
437.22726	0.3
709.43475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71495	0.5
59.01387	9.2
60.05193	0.5
66.30299	0.5
71.01366	2.4
85.02942	1.5
94.02346	0.6
96.95993	1.3
97.02917	0.6
101.02439	0.9
102.38997	0.6
106.31828	0.6
109.02905	1.1
110.59348	0.6
113.02471	0.7
119.04975	2.6
122.02479	0.8
124.01604	0.7
125.02499	0.7
134.03723	1.1
135.04514	1.3
137.02446	10.4
145.02985	2.4
149.01195	1.4
149.02332	1.4
149.06058	0.7
151.00351	9.3
151.03947	1.1
151.43716	0.6
152.01091	1.0
152.04753	1.4
160.01660	1.1
161.02542	1.8
162.05571	3.1
166.02705	55.5
167.03409	3.9
175.03984	3.5
177.01884	1.2
179.03429	1.1
181.05067	93.5
182.05403	1.1
186.26349	0.6
191.03482	0.9
193.04993	1.5
205.04941	0.7
205.08580	0.7
206.04565	1.2
228.02777	0.9
240.45085	0.8
357.10040	0.7
359.11502	2.4
387.10831	14.5
402.13229	14.0
417.15585	100.0
418.15958	4.9
452.21994	1.1
477.14438	0.9
552.41077	0.7
579.20905	2.9
598.62762	0.8
618.47321	0.7
621.75793	0.6
727.29321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
69.73502	0.5
71.01379	0.7
73.02942	0.4
101.02442	0.7
110.38354	0.4
113.02507	0.5
117.03455	1.8
125.02381	0.6
132.02191	5.2
133.02959	37.7
134.03766	7.8
135.04500	8.0
145.02971	0.5
146.06136	2.4
149.06152	0.6
160.01662	13.3
161.02449	100.0
162.05577	1.8
175.03999	14.3
178.02678	0.5
179.03511	6.4
188.03458	0.9
190.05090	0.8
193.05052	6.0
206.04619	0.7
262.47913	0.5
265.06976	0.5
583.16815	0.5
601.17444	0.7
629.17548	2.8
759.87787	0.6
763.21326	2.9
805.22101	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	805.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
89.03926	0.4
89.92775	0.4
101.02348	0.5
117.03474	0.7
125.02467	0.6
132.02165	4.4
133.02948	46.0
134.03775	5.4
135.04521	4.5
146.06128	1.1
146.73779	0.5
149.06142	0.9
160.01654	5.5
161.02441	100.0
162.02838	1.0
162.05632	0.6
172.03854	0.5
175.04004	6.7
179.03490	2.4
188.03558	0.6
193.05067	4.8
205.05112	0.4
214.32239	0.5
245.59254	0.6
310.24841	0.5
370.97714	0.5
629.17340	2.0
763.21375	2.4
805.21918	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	805.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
62.09278	0.1
66.29445	0.1
71.01363	0.3
73.02908	0.2
77.03976	0.3
78.25432	0.1
80.93289	0.2
85.02944	0.2
89.03957	0.2
95.04979	0.2
99.00844	0.2
101.02429	0.8
104.02661	0.3
105.03458	0.8
113.02442	0.7
115.01868	0.2
117.03437	1.2
119.05038	0.2
123.04503	0.6
132.02162	4.3
133.02942	46.9
134.03748	6.5
135.04512	5.3
137.02420	0.5
149.06071	1.0
160.00471	0.2
160.01648	5.0
161.02434	100.0
162.02824	0.9
162.05612	0.2
167.03316	0.2
175.02536	0.3
175.03998	7.1
178.02705	1.1
179.03485	3.4
184.73036	0.1
190.05246	0.2
193.05055	5.2
206.04623	0.3
233.04619	0.3
265.07053	0.5
266.38623	0.2
331.03256	0.1
337.09341	0.4
342.02975	0.2
412.42914	0.2
454.33121	0.2
499.12878	0.3
587.17358	0.2
601.17749	0.2
629.17395	1.2
643.19214	0.7
670.10156	0.2
745.20453	0.2
763.21210	2.7
805.22052	17.0
806.22607	0.8
839.67493	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91321	0.7
59.01377	5.2
71.01385	3.7
82.79636	0.8
89.02440	1.2
96.96000	3.0
101.02455	1.7
113.02388	1.1
116.05134	1.1
121.02943	0.9
121.05064	1.1
128.61568	0.9
131.03685	1.3
132.04556	12.3
138.03317	0.9
138.43486	0.7
144.04556	23.3
146.06100	10.3
147.03287	1.8
160.04034	58.5
161.04422	1.2
162.05611	84.7
163.05942	1.9
167.03555	1.3
171.10358	1.0
172.04059	1.2
175.03983	1.1
178.05090	10.3
188.03534	100.0
189.03885	3.0
190.05147	6.0
206.04607	32.1
248.05737	1.2
429.09622	0.9
472.14642	81.7
473.15192	6.8
585.34808	1.1
616.18958	4.3
645.19604	1.9
774.92615	0.9
807.24835	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	807.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43474	0.7
59.01373	4.3
60.32961	0.6
60.43056	0.7
65.92069	0.7
70.37668	0.7
71.01365	1.7
85.02943	1.0
89.02433	3.1
92.12476	0.9
93.03429	1.7
96.26976	0.7
96.95982	1.2
100.16995	0.7
101.02416	1.2
113.02416	1.1
121.05034	1.1
131.03723	1.0
132.04527	12.2
137.02380	1.1
144.04552	22.6
144.81895	0.8
146.06125	11.2
147.03242	1.6
160.04041	51.8
161.04443	1.1
161.67967	0.8
162.01982	4.2
162.05612	88.2
163.05942	3.2
169.95564	0.8
172.03979	1.4
175.04071	0.9
178.05089	9.0
186.05602	0.9
188.03539	100.0
189.03894	3.0
190.05099	5.0
206.04597	34.4
248.05551	3.1
357.33029	0.9
426.92258	0.9
444.18466	0.9
472.14658	76.4
473.14868	4.9
616.19031	3.5
645.19739	1.6
807.24854	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	807.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
60.54735	1.3
60.90878	1.5
65.25446	1.1
71.01387	3.0
77.83813	1.4
89.02415	2.2
91.01879	1.9
96.95996	1.9
121.05065	1.7
132.04564	10.9
144.04561	19.6
146.06163	11.5
160.04051	53.3
162.01950	7.3
162.05608	85.1
163.05914	2.2
174.52394	1.7
175.95093	1.4
178.05099	11.6
188.03535	100.0
190.05063	5.7
206.04597	33.1
248.05678	2.0
249.97882	1.5
275.37665	1.5
320.55933	1.6
340.11411	1.5
406.60248	1.6
456.15231	2.5
472.14639	69.7
473.14548	2.0
512.41162	1.5
616.18658	2.9
784.84637	1.6
807.24518	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	807.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
62.81227	0.2
71.01377	1.7
75.33652	0.2
85.02942	0.5
91.01878	0.4
93.03452	0.4
93.43759	0.2
101.02443	0.3
105.03448	0.2
106.04258	0.4
107.05022	0.4
108.57983	0.2
109.02943	0.2
111.00871	0.3
113.02363	0.3
119.01393	1.9
121.02935	1.7
132.02148	0.4
133.02954	3.7
134.03737	100.0
135.04536	30.1
136.04866	0.3
137.02455	0.5
143.26689	0.2
144.04567	0.4
145.02914	0.4
146.06122	0.4
147.00903	1.3
147.04517	1.7
148.04161	0.4
148.05321	2.2
149.02454	6.7
149.06084	57.8
150.03194	1.0
150.06413	1.4
151.03833	0.3
160.01666	2.8
160.03995	0.4
161.02441	1.5
161.06090	2.1
162.03239	1.4
162.05615	2.3
163.04042	0.9
164.04781	7.6
165.01947	0.5
172.18158	0.2
175.00372	11.2
175.02693	0.5
175.03984	4.1
176.01010	0.5
176.03526	1.0
179.07161	1.5
186.09290	0.3
188.03519	0.5
189.01959	0.3
190.02727	36.1
190.05063	3.1
191.03291	1.5
193.01427	0.4
194.02190	0.5
204.06670	3.7
205.05086	35.1
206.05522	0.4
208.03748	0.9
209.04507	1.2
218.08208	1.0
221.08305	0.3
223.06161	7.2
229.09906	0.3
230.08228	2.0
231.09016	3.0
232.03886	0.3
232.09763	0.4
247.10895	8.7
248.11646	3.9
261.12350	0.3
263.14029	2.7
273.08832	8.6
274.06512	0.5
274.09622	33.6
275.10287	2.6
289.11978	36.6
290.12247	1.6
337.05798	0.4
352.08145	0.5
353.08716	0.3
367.10382	36.3
368.10757	1.7
408.88431	0.3
423.15665	1.5
424.16385	1.0
425.17636	0.3
439.18808	39.7
440.19019	2.9
631.25262	1.0
657.23297	2.7
807.29895	29.5
808.30151	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	807.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.1
58.49765	1.3
59.01383	19.5
61.98827	1.5
62.66057	1.4
71.01377	30.5
72.99299	6.3
73.02930	3.3
75.00864	27.4
82.55196	1.2
83.01379	2.1
85.02953	36.3
87.00864	7.2
89.02428	9.1
95.01398	3.3
99.00861	10.7
101.02451	6.4
107.40700	1.3
113.02441	38.6
115.00347	2.9
117.01913	1.9
119.04941	1.9
125.69261	1.5
126.04942	1.7
129.85483	1.5
151.83571	1.7
173.04552	1.6
175.02570	1.9
178.67645	1.8
188.69055	1.7
198.39473	1.5
273.31989	1.6
395.27841	1.6
400.77057	1.9
417.64835	1.6
574.85425	1.8
641.19135	1.7
669.57336	1.6
807.41888	100.0
808.42407	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	809.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03190	0.3
57.03457	6.3
58.00587	0.4
59.01388	19.7
61.60260	0.2
64.93447	0.2
66.12527	0.2
67.01881	0.4
68.99826	0.4
69.03455	1.9
71.01383	35.5
71.05029	0.2
72.09516	0.2
72.99307	5.9
73.02949	4.5
75.00872	33.7
83.01394	4.5
84.02155	0.5
85.02951	42.4
86.00086	1.0
86.03283	0.3
87.00874	10.7
88.27765	0.3
89.02440	7.7
95.01391	5.0
97.02943	2.0
99.00876	12.5
101.02438	9.4
103.00375	1.8
109.02970	0.3
111.00883	1.1
112.01688	0.3
113.02449	42.0
114.44426	0.2
115.00381	3.4
116.01095	0.3
117.01926	2.8
119.03505	1.4
125.02464	1.1
129.01956	2.0
131.02623	0.3
131.03496	2.8
133.01488	0.2
137.09732	0.3
143.03493	0.4
149.04517	0.4
157.01424	2.0
159.03001	0.4
161.04616	0.3
173.04518	3.6
175.02481	2.9
191.05618	0.6
193.03517	0.5
235.04660	0.4
333.54877	0.3
337.07779	0.3
355.26291	0.3
385.31226	1.0
395.29706	0.4
427.32419	1.4
453.33661	1.8
471.34860	1.5
499.24088	0.3
673.48444	0.3
708.24072	0.3
737.70624	0.3
737.86023	0.3
809.43390	100.0
810.43506	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	811.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35538	0.8
59.01370	1.8
61.98841	1.4
67.17736	0.8
71.01381	1.8
78.76928	0.9
81.10452	1.0
85.02946	1.8
96.95943	1.0
99.00851	1.1
101.02425	1.6
108.02191	1.0
113.02439	1.5
116.04999	1.9
119.05004	1.3
131.03787	1.1
132.04526	9.7
133.02917	1.3
134.03751	2.2
135.04460	1.0
144.04539	19.7
145.02921	1.3
146.03757	1.7
146.06114	14.3
149.02350	1.1
160.01753	2.0
160.04042	46.5
161.02441	3.8
161.04413	1.1
162.05605	64.4
163.06018	1.5
172.03979	1.4
175.04008	5.7
178.05061	8.6
188.03531	100.0
189.03853	2.2
190.05098	5.6
204.09319	1.3
205.05022	1.1
206.04616	22.2
218.02145	2.0
233.04497	2.1
248.05698	1.8
254.52603	1.1
274.89905	1.1
333.59409	1.0
440.15692	60.7
441.15915	1.7
570.35199	1.0
584.19678	3.5
605.15613	1.0
775.25897	19.2
776.27124	1.2
811.26331	1.5
813.38000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35538	0.8
59.01370	1.8
61.98841	1.4
67.17736	0.8
71.01381	1.8
78.76928	0.9
81.10452	1.0
85.02946	1.8
96.95943	1.0
99.00851	1.1
101.02425	1.6
108.02191	1.0
113.02439	1.5
116.04999	1.9
119.05004	1.3
131.03787	1.1
132.04526	9.7
133.02917	1.3
134.03751	2.2
135.04460	1.0
144.04539	19.7
145.02921	1.3
146.03757	1.7
146.06114	14.3
149.02350	1.1
160.01753	2.0
160.04042	46.5
161.02441	3.8
161.04413	1.1
162.05605	64.4
163.06018	1.5
172.03979	1.4
175.04008	5.7
178.05061	8.6
188.03531	100.0
189.03853	2.2
190.05098	5.6
204.09319	1.3
205.05022	1.1
206.04616	22.2
218.02145	2.0
233.04497	2.1
248.05698	1.8
254.52603	1.1
274.89905	1.1
333.59409	1.0
440.15692	60.7
441.15915	1.7
570.35199	1.0
584.19678	3.5
605.15613	1.0
775.25897	19.2
776.27124	1.2
811.26331	1.5
813.38000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.1
64.93967	0.1
71.01377	0.2
76.57349	0.1
90.80383	0.2
92.12423	0.1
93.03450	0.9
94.11663	0.1
97.77510	0.1
106.24542	0.2
117.03458	6.1
119.05022	100.0
120.05354	1.3
121.02974	1.3
123.04497	0.2
127.41831	0.2
128.00967	0.1
132.02170	0.2
133.02945	1.6
134.03738	33.3
135.04536	9.1
137.02428	0.6
145.02960	11.3
147.04538	0.6
148.05321	0.6
149.02460	0.2
149.06081	17.3
150.06454	0.3
151.00375	0.3
160.01688	2.0
161.02435	0.8
161.06105	0.9
162.03262	1.3
163.04015	39.9
164.04259	0.5
165.01933	0.8
165.05690	0.1
166.02747	0.7
175.02678	0.3
175.03998	2.2
176.03569	0.6
177.01968	1.3
178.02711	1.6
179.03552	0.2
180.04260	0.7
181.05127	0.3
190.05107	0.8
192.04227	1.1
193.05077	2.3
195.06662	0.7
204.06725	1.5
207.06657	0.3
210.05498	0.2
225.07765	0.2
230.08240	0.5
231.09036	0.8
242.30807	0.2
246.11395	0.2
247.10928	2.6
248.11597	0.9
259.10840	0.3
263.13974	0.7
273.08865	2.8
274.09631	11.5
275.10220	1.0
289.11969	11.7
290.12433	0.5
341.10297	0.2
353.10364	0.3
371.11520	1.6
409.17609	0.6
423.15961	0.3
438.18082	0.3
439.18808	8.7
450.89218	0.2
463.18497	0.3
493.20013	0.7
508.58380	0.1
581.37323	0.2
585.29797	0.2
599.23712	0.3
600.24823	0.2
613.18640	0.2
615.24243	0.2
629.25256	0.9
635.26288	1.1
647.25861	0.2
661.24304	5.4
662.24554	0.2
665.27332	2.3
691.25079	0.2
793.29388	0.6
811.30957	23.1
812.31360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47298	1.8
69.10411	2.3
75.00815	2.4
78.80383	1.7
83.29189	2.0
97.33815	2.2
117.03466	5.1
119.05019	100.0
121.02955	2.9
133.02982	2.1
134.03726	29.4
135.04507	9.0
144.04518	2.6
145.02945	13.8
146.06073	2.6
149.06076	15.6
154.14392	2.1
162.05650	3.7
163.04016	39.5
166.94165	2.0
172.74190	2.1
175.03990	3.4
188.03352	1.9
227.86414	2.4
265.09161	2.0
274.09528	5.0
289.11972	8.6
305.12918	12.1
439.18857	8.2
811.31506	22.4
811.44910	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	811.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	6.9
58.00600	0.6
59.01387	17.3
67.01891	0.6
68.53688	0.3
68.99830	1.1
69.03457	0.4
71.01382	28.8
72.99300	5.4
73.02950	4.3
75.00869	27.2
75.01502	0.4
78.87205	0.3
82.95413	0.5
83.01388	3.7
85.02951	36.5
86.00104	0.3
87.00875	7.8
87.04487	0.3
89.02447	8.5
93.45119	0.3
94.27582	0.3
95.01381	4.3
95.56136	0.3
97.02927	1.5
99.00880	10.3
101.02436	9.9
103.00378	0.5
103.29980	0.4
111.00867	1.2
112.01667	0.3
113.02448	40.8
115.00362	2.8
117.01939	2.1
118.46793	0.3
119.03500	2.6
124.01678	0.3
125.02470	0.5
129.01929	1.5
131.03522	2.1
134.03735	0.4
141.01999	0.3
143.03448	0.5
144.51253	0.3
157.01463	2.1
159.02994	0.4
161.04533	0.7
171.10260	1.1
173.04506	2.3
175.02484	3.5
191.05701	1.4
193.03513	0.5
307.95309	0.3
329.23413	1.4
343.05945	0.4
385.31598	0.4
429.05139	0.3
439.32285	0.4
479.10611	0.3
811.44971	100.0
812.45422	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	813.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94999	0.5
59.01388	5.0
60.93372	0.5
61.98832	21.8
71.01379	3.9
71.11251	0.5
73.02950	1.2
79.65057	0.5
85.02937	1.0
89.02472	0.6
93.39414	0.5
101.02434	2.4
113.02483	2.2
117.03416	0.7
117.08918	0.6
119.05000	0.8
125.02458	0.7
132.02153	22.0
133.02972	2.5
134.03729	20.3
137.02435	1.4
146.06084	0.9
149.06091	3.8
159.04535	0.8
160.01653	98.3
161.02461	6.2
162.05646	4.8
169.89481	0.6
175.03993	100.0
176.04315	1.4
178.02740	2.6
179.03506	0.8
190.02747	0.6
190.05151	0.6
193.05060	15.9
205.05145	0.8
265.07227	1.1
319.08118	0.8
541.16016	0.9
559.16913	2.8
576.87085	0.6
583.16382	1.2
601.17444	4.1
717.20728	5.0
735.21356	3.7
750.30249	2.8
765.39691	0.7
777.22491	26.9
778.22534	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	813.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93618	0.3
60.85876	0.3
74.00117	0.3
81.03452	3.1
83.05030	11.4
91.05531	56.0
92.05852	0.5
92.12403	0.7
93.03414	0.4
99.00897	0.7
117.01932	0.4
125.07172	0.6
132.04442	0.3
133.84363	0.3
135.04517	38.4
136.04884	0.4
143.45616	0.4
162.05547	0.5
220.41757	0.4
224.17722	2.0
225.16107	9.8
242.18742	0.4
309.21841	0.4
333.22913	0.5
367.27286	0.6
418.38367	0.3
433.31750	1.3
450.34668	0.5
451.32825	6.6
550.43604	1.2
659.48486	1.4
677.49780	100.0
678.49957	8.0
796.39264	0.5
813.55151	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	814.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27865	0.6
65.01170	0.6
69.13583	0.6
71.09602	0.6
78.95904	7.9
88.15190	0.6
110.68479	0.6
123.08117	0.9
125.09671	4.5
139.62234	0.6
141.12865	0.9
149.09688	1.4
168.04301	1.6
185.11812	9.7
189.08162	0.7
197.11819	1.1
224.06929	3.0
242.07829	0.7
268.03745	0.7
281.24857	39.8
281.27979	1.3
282.25128	3.8
293.21246	100.0
294.21555	3.8
307.93411	0.7
357.62787	0.8
466.03012	0.8
506.32526	28.6
507.32639	1.5
521.50574	0.8
713.45325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30928	0.2
71.40514	0.2
73.02957	0.2
74.02465	2.0
78.95899	4.8
99.73604	0.2
103.68829	0.2
104.03509	0.4
110.98515	3.6
116.92884	0.2
124.17473	0.2
152.99585	0.3
167.01172	1.8
185.02196	2.3
210.40416	0.2
254.98930	0.2
281.24863	100.0
282.25208	3.1
293.26907	0.3
304.26636	0.2
310.71808	0.2
317.72275	0.2
318.24332	0.3
336.25543	0.7
366.26566	1.9
406.23752	0.2
449.26770	28.0
450.27316	1.0
844.23517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	67.8
63.91938	5.6
71.01368	33.5
73.02930	15.1
73.31610	5.5
74.57459	5.5
85.02991	5.8
89.02428	13.1
97.02937	5.9
101.02431	28.5
108.02194	6.3
113.02440	12.4
119.04966	8.5
134.03706	12.8
146.06079	25.0
153.12997	6.0
160.04004	12.6
162.05603	74.8
162.60970	6.2
171.12859	6.5
185.05684	5.9
185.60646	6.7
188.03557	33.5
194.62294	5.9
200.01132	10.3
205.04814	6.0
206.04543	15.1
228.00636	44.7
229.01440	47.3
236.04742	11.5
237.05525	38.9
243.02975	100.0
249.05635	8.5
252.07927	15.1
264.04224	24.2
265.04968	46.8
269.08231	28.6
279.06583	13.0
280.07336	28.8
281.08215	11.5
283.06116	40.0
293.04663	11.5
295.09827	39.1
297.07642	13.9
307.06061	7.3
324.06360	29.4
325.06802	8.3
334.05084	8.3
339.08850	45.6
341.10458	7.6
349.07126	38.9
351.05182	9.6
366.07523	7.8
367.08237	40.5
654.99982	8.2
775.21588	9.6
816.39709	13.2
817.22308	97.9
817.37970	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	818.5916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00545	0.4
66.16646	0.4
73.62269	0.5
78.95901	10.6
88.46524	0.4
94.89691	0.4
99.41439	0.4
127.11270	1.8
152.99594	2.3
153.12874	0.6
168.04341	1.0
171.10269	11.3
217.02902	0.5
224.06978	5.1
242.07918	0.8
261.22192	0.7
279.23303	12.9
281.24872	63.4
282.25183	3.1
295.22769	0.9
297.24368	100.0
298.24759	4.1
363.97247	0.6
506.32556	48.8
507.32840	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	818.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20634	0.2
68.53530	0.2
78.95904	4.8
87.12434	0.2
113.09715	0.5
135.06216	0.2
152.99599	5.1
168.04323	0.2
183.13901	49.3
184.14241	0.9
189.12965	0.2
224.06876	0.4
242.07996	1.1
279.23303	7.6
281.24869	52.0
282.25165	1.6
297.24368	100.0
298.24677	3.3
305.32800	0.3
352.32486	0.2
435.25186	1.2
506.32538	19.9
507.33221	0.5
759.52008	0.3
772.04315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56069	0.1
59.01384	3.3
59.24561	0.1
71.01374	0.9
73.02948	0.6
78.98807	0.2
83.01382	0.2
85.02941	0.2
87.00864	0.3
89.02435	0.2
89.03968	0.2
91.22788	0.1
97.02930	0.3
99.00873	0.2
101.02429	0.8
104.02647	0.2
106.04267	0.2
113.02432	0.9
116.43686	0.1
117.03433	0.9
125.02458	0.3
130.34273	0.2
132.02170	27.4
133.02989	1.9
134.03731	14.0
134.04791	0.3
135.04486	0.4
137.02502	0.3
147.04567	0.2
149.06078	2.3
160.01659	100.0
161.02446	3.3
161.04547	0.2
163.03941	0.2
175.04001	84.6
176.04378	0.9
178.02724	2.1
179.03464	0.8
191.07181	0.2
193.05057	12.2
199.03694	0.2
235.06102	0.2
247.06018	0.3
265.07190	1.1
319.08249	0.7
329.22797	0.2
332.67303	0.2
337.09344	0.9
341.10696	0.2
361.09433	0.2
379.10352	0.2
481.13629	0.2
499.14365	0.3
500.82034	0.2
541.15814	0.6
559.16626	0.6
583.16650	1.4
601.17773	2.4
625.18011	1.0
643.19232	2.8
710.35730	0.2
717.20319	0.6
735.21686	0.4
759.21533	3.3
777.22479	3.6
778.94714	0.2
819.23627	8.4
820.23950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67944	0.2
59.01387	3.7
62.19374	0.2
71.01396	1.3
72.43533	0.2
73.02955	0.5
78.51669	0.2
78.70099	0.2
83.81103	0.2
85.02979	0.3
87.00877	0.4
89.02414	0.2
101.02437	0.5
113.02441	0.4
116.97443	0.3
117.03457	1.2
122.70560	0.2
132.02168	29.2
133.02975	2.6
134.03734	13.7
135.04503	0.4
137.02444	0.4
147.04572	0.4
149.06131	2.2
160.01659	100.0
161.02316	3.1
165.34518	0.2
175.03999	86.5
175.71626	0.2
176.04292	2.3
177.01994	0.3
178.02809	1.8
179.03488	0.3
179.57207	0.2
183.37360	0.3
186.42587	0.3
191.07196	0.2
193.05054	11.8
196.44890	0.2
211.13440	0.4
214.68707	0.3
265.07202	1.0
329.23248	1.1
337.09354	0.5
361.09335	0.4
379.10437	0.4
559.16528	1.0
565.15564	0.3
583.17114	2.2
601.17566	2.1
625.17432	1.4
643.19067	2.5
735.21448	0.4
759.21301	4.2
777.21832	1.9
819.09485	0.4
819.23688	8.5
820.26007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
61.98834	1.0
76.56965	0.7
80.40486	0.6
84.21392	0.7
92.11758	2.9
101.02417	1.0
101.08141	0.8
132.01169	1.1
132.02170	28.5
133.03030	0.9
134.03738	15.1
149.06120	1.6
160.01665	100.0
161.02455	4.8
163.04153	0.7
167.97264	0.7
175.04012	92.9
175.94722	0.7
176.04422	0.7
178.02707	1.6
193.05077	11.0
208.84515	0.7
217.44084	0.7
272.40085	0.8
305.32007	0.7
355.77972	0.7
355.90915	0.8
371.84460	0.8
382.78931	0.7
572.28265	0.7
583.16455	1.6
601.17664	2.6
625.17267	1.1
643.19446	1.4
759.21808	5.1
819.23859	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	819.2358
Annotation	Smiglaside C
Peak:m/z	Relative Intensity
59.01391	3.0
59.94183	0.3
63.20827	0.3
65.51891	0.3
67.14042	0.3
69.41523	0.3
70.61482	0.3
71.01358	0.7
72.50337	0.4
73.02933	0.4
83.01384	0.4
87.00848	0.4
92.65291	0.4
101.02425	0.5
113.02486	0.7
117.03535	0.4
123.01694	0.4
132.02167	30.3
133.02931	2.0
134.03731	18.3
135.04497	0.7
137.02441	0.5
139.04057	0.5
149.06000	3.4
160.01665	100.0
161.02431	4.9
175.04007	84.0
176.04335	0.8
178.02745	2.1
191.07217	0.4
193.05075	11.2
235.05792	0.4
247.06139	0.5
265.07343	0.7
319.08243	0.8
337.09488	0.7
463.00381	0.5
513.13629	1.7
541.15759	0.5
546.41107	0.4
583.16626	0.8
601.17700	2.4
625.18274	0.4
643.18616	2.0
673.31512	0.5
717.19714	0.8
759.21179	3.1
777.22650	4.9
819.23755	11.1
820.22595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.2
59.01384	3.4
64.89163	0.1
65.29736	0.1
69.03441	0.2
69.06063	0.1
69.29142	0.1
71.01374	1.2
71.51039	0.1
73.02924	0.7
83.01355	0.2
85.02938	0.3
85.32788	0.1
87.00883	0.2
89.03951	0.2
89.30118	0.1
92.86823	0.1
97.02923	0.2
99.00826	0.2
101.02412	1.0
104.02686	0.2
113.02406	0.6
117.03429	0.9
119.05006	0.3
121.02936	0.2
125.02416	0.3
126.23836	0.1
132.02158	27.2
133.02951	2.6
134.03725	16.7
135.04489	1.0
137.02455	0.6
145.02943	0.2
147.04518	0.3
149.06071	2.9
159.04518	0.3
160.01649	100.0
161.02432	3.9
162.03093	0.2
162.05719	0.2
175.03990	86.3
176.04330	1.3
177.01895	0.2
178.02698	2.8
179.03464	0.8
187.04002	0.2
191.07045	0.2
193.05054	12.7
198.55858	0.2
207.06676	0.2
216.04117	0.2
221.08279	0.2
235.06026	0.2
247.06075	0.6
259.06223	0.2
265.07196	0.9
318.09543	0.2
319.08246	0.8
337.09286	0.9
488.50735	0.2
513.14215	1.5
523.14252	0.2
541.15839	0.3
559.16577	0.3
565.15649	0.3
583.16858	1.1
601.17670	2.7
625.17975	1.3
629.26447	0.2
643.18604	1.5
717.20294	1.0
735.21478	0.8
759.21405	3.1
777.22491	4.7
809.27283	0.2
819.23572	9.8
820.23615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61560	1.2
59.01366	5.2
61.98825	1.3
63.49431	1.1
68.60915	1.1
70.06149	1.3
71.01374	6.4
73.02941	1.3
75.03172	1.3
85.02918	1.3
87.00849	1.4
87.55305	1.2
93.03461	1.3
95.01403	2.4
96.95953	2.4
101.02412	2.4
113.02422	1.9
115.12309	1.1
115.57973	1.3
116.05038	1.4
116.92833	1.8
123.00861	15.4
123.04506	1.5
124.01635	6.6
131.50615	1.3
132.04564	2.4
137.02478	2.3
138.03250	2.5
144.04510	11.2
146.06116	9.3
147.03232	3.1
148.04027	3.0
149.02434	2.2
152.01112	2.1
153.01976	9.7
160.04036	28.2
161.02452	2.7
161.04559	1.3
162.05600	100.0
163.05975	5.0
167.03506	8.5
168.03911	1.1
172.04028	1.9
172.38754	1.2
174.05579	1.5
175.00293	1.9
175.04012	1.3
186.05611	5.3
188.03542	45.4
190.02788	10.7
190.05103	6.4
196.34180	1.4
205.05075	9.2
206.04594	76.9
207.04935	1.8
230.04591	6.5
245.73375	1.4
248.05690	23.6
278.06619	1.5
303.10724	1.2
311.07724	5.2
338.12509	1.3
367.10345	14.5
382.97626	1.3
451.12659	17.7
484.14658	9.2
507.14935	1.9
531.68079	1.4
819.24609	38.2
820.25446	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	819.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.5
68.11623	1.2
71.01356	1.9
71.15067	1.1
80.43340	1.1
82.59602	1.1
87.00882	1.8
87.22451	1.2
108.52499	1.2
113.02489	1.7
130.08630	1.4
132.04561	1.7
137.02425	1.3
138.47600	1.2
141.01691	1.9
144.04579	7.3
145.02925	3.2
146.06113	11.7
147.03253	1.4
148.04086	2.8
153.11456	1.4
160.01761	1.7
160.04018	20.7
162.05594	100.0
163.05934	2.5
172.04013	2.0
174.05632	1.9
176.03586	1.5
186.05571	2.1
188.03543	42.3
190.05103	7.6
206.04590	70.8
207.04977	1.7
230.04579	5.1
248.05576	20.1
350.08780	1.7
481.28314	1.8
484.14590	3.2
819.24707	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.608
Annotation	Unknow
Peak:m/z	Relative Intensity
71.76062	0.7
77.66158	0.8
78.95897	15.8
92.11884	0.9
111.98462	0.8
116.92820	0.9
149.52667	0.9
152.99567	4.2
155.10760	3.2
165.54976	0.9
165.86867	0.7
168.04247	1.6
171.10237	5.0
193.86012	0.7
224.06964	8.4
242.08011	1.8
279.23276	12.3
283.26425	100.0
284.26755	4.2
297.24353	98.3
298.24625	4.3
339.46875	1.0
508.34097	78.4
509.34354	3.5
646.29657	0.9
647.83569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.0
61.98866	0.8
65.53566	0.9
71.01374	4.4
75.82049	0.8
78.24365	0.9
82.07970	0.9
85.02963	0.9
89.02433	2.2
96.95996	2.4
101.02411	2.2
113.02428	1.1
116.92892	1.3
119.03430	1.3
119.05004	1.6
120.04541	2.0
121.91791	0.9
125.00053	0.9
125.54211	1.0
131.03720	1.0
132.04559	11.6
144.04555	21.8
145.02904	1.6
146.06108	13.3
147.03302	1.0
159.18549	1.0
160.04028	50.7
161.04512	1.3
162.05597	93.9
172.04083	1.4
178.05045	11.5
188.03528	100.0
189.03889	1.5
190.05077	6.4
201.32451	1.1
206.04584	45.5
248.05640	4.9
258.32257	1.0
271.02347	1.4
278.73883	1.2
290.06790	1.2
300.02618	1.2
314.04575	1.2
315.05139	3.9
329.27826	1.4
468.15152	1.3
484.08765	1.1
486.16211	75.3
487.16187	1.5
630.20258	3.9
659.21417	2.0
821.26117	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	821.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02316	0.7
59.01380	4.3
66.95757	0.7
67.49357	0.9
69.07217	0.8
71.01382	3.9
74.38908	0.8
85.02950	2.0
87.48254	0.8
89.02434	4.4
96.96001	49.5
101.02428	1.7
101.84859	0.9
116.92854	4.4
121.02882	0.8
131.03749	1.2
132.04544	11.6
134.41176	1.0
135.04451	1.0
135.06609	1.1
144.04535	21.6
146.06094	11.5
147.03348	1.4
149.01114	1.8
160.01938	1.4
160.04033	57.9
161.04468	1.7
162.05606	100.0
163.05942	1.2
167.03447	1.3
172.04056	1.6
174.05621	1.4
175.03943	1.2
178.05087	9.8
188.03531	97.2
189.03787	1.1
190.05139	6.9
193.05078	0.9
206.02637	1.6
206.04587	44.3
210.00032	0.9
247.16931	0.9
248.05704	5.0
262.00287	4.3
311.07834	0.9
486.16223	89.7
487.16647	1.8
630.20398	5.6
659.20935	1.6
761.12994	1.3
772.23944	1.0
821.26007	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	823.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
64.17170	0.4
70.05487	0.4
71.01386	3.4
73.05964	0.4
79.64565	0.4
89.02435	3.2
98.37144	0.5
101.02426	2.5
113.02453	1.1
115.49054	0.4
119.03485	0.6
119.05008	2.3
120.04533	0.9
121.05032	1.6
132.04538	10.6
139.12279	0.4
144.04544	15.0
145.02931	0.8
146.06062	0.5
147.03262	3.5
148.04144	0.5
159.03217	0.8
160.04034	56.5
161.04700	3.0
162.01955	2.9
162.05602	94.2
163.05948	1.8
171.15549	0.4
174.05649	0.7
178.05093	10.7
186.05553	1.7
187.02707	1.1
188.03529	100.0
189.03857	1.0
190.05165	0.7
202.05057	1.8
204.03043	0.9
204.06664	2.9
206.04599	37.9
228.06741	0.6
230.04578	3.3
242.10300	0.5
247.04842	0.6
248.05621	5.8
290.06772	2.7
350.08795	4.4
472.14651	45.9
473.14981	2.5
539.12872	1.0
823.24194	21.8
824.24042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51338	0.5
59.01379	3.6
59.01849	0.5
60.49487	0.5
60.52582	0.5
62.72736	0.5
62.82722	0.5
71.01382	3.0
85.02931	0.9
88.66359	0.6
89.02438	1.2
91.74957	0.5
101.02438	2.9
102.89379	0.5
113.02414	1.2
119.03454	1.0
119.05031	1.3
120.04479	0.9
121.05046	1.1
132.04533	11.1
134.06071	0.8
144.04550	18.0
145.02921	1.0
146.06099	0.6
147.03227	3.9
159.03239	1.2
160.04030	63.0
161.04596	3.6
162.01915	2.5
162.05598	100.0
163.05974	2.1
174.05589	0.7
176.03487	0.7
176.07091	0.5
178.05090	10.0
186.05589	2.0
187.02707	1.1
188.03522	98.8
189.03859	2.4
190.05031	0.8
191.05632	1.0
202.05101	2.2
204.06679	3.5
206.04597	37.4
230.04625	3.7
248.05612	5.6
290.06659	2.1
305.40237	0.5
350.08896	4.4
472.14651	44.5
473.14767	3.0
539.13171	1.9
823.24237	21.5
824.24127	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	823.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	21.9
61.98850	5.3
64.08459	3.2
71.01389	39.7
72.16193	2.8
72.99311	6.3
73.02948	3.6
75.00877	33.1
79.67351	3.1
83.01412	5.7
85.02968	45.4
87.00864	6.1
89.02465	14.4
95.01408	3.9
99.00886	17.3
101.02450	13.0
113.02460	51.4
113.12318	3.3
115.00351	4.3
117.01913	3.4
119.04974	6.3
128.45316	2.9
150.40300	3.6
169.83746	3.3
173.04755	3.4
193.05099	3.7
264.79623	3.6
347.82913	4.0
422.86127	4.4
427.12000	3.3
519.10858	4.1
599.88324	4.1
823.09070	5.1
823.40967	100.0
824.41602	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	823.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72358	0.2
59.01371	0.4
61.98820	0.7
71.01383	0.4
80.05016	0.4
81.03452	21.2
81.03934	0.7
83.05021	62.1
85.02963	0.3
92.65705	0.3
96.96012	0.5
100.07677	9.6
119.05027	0.3
125.07251	0.4
126.05606	1.2
127.04051	0.5
134.03770	0.4
134.16287	0.3
144.04538	0.6
146.06097	1.4
152.24826	0.3
157.13475	0.4
160.04008	2.8
161.02467	0.3
162.05595	7.9
163.05969	0.5
173.06519	0.3
175.03970	0.5
182.15442	0.7
188.03552	2.8
190.02632	0.3
190.05170	0.5
197.16644	0.3
199.18169	14.3
205.05104	0.4
206.04582	3.7
207.04828	0.3
207.15044	1.3
224.17711	1.7
225.16086	13.1
226.85548	0.3
243.17131	28.9
244.17465	0.6
269.15125	1.6
279.51398	0.3
309.21860	0.7
350.08990	0.3
353.20889	7.8
425.35400	0.4
433.31390	0.4
446.84613	0.3
451.32980	4.0
469.33951	19.8
470.34003	0.5
579.37628	3.8
677.50165	0.4
695.50690	9.0
805.54651	2.3
823.55560	100.0
824.55951	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	824.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98853	0.7
65.27274	0.8
67.18526	0.6
68.56662	0.6
85.02971	0.6
89.78407	0.7
92.55988	0.7
96.96010	0.9
113.02451	1.0
119.05011	1.4
120.04546	1.5
122.02525	1.1
132.04552	2.8
134.03760	0.9
137.02446	0.7
144.04532	5.4
146.06148	1.2
147.03282	6.7
160.04041	22.5
161.04813	1.5
162.05609	100.0
163.05959	1.6
174.05598	1.2
178.05112	1.4
180.48836	0.7
186.05626	1.6
187.02725	1.0
188.03528	24.1
190.02783	1.1
190.05141	1.0
202.05103	1.2
204.06647	3.9
206.04604	43.3
230.04619	3.4
248.05655	5.8
290.06641	2.9
301.76569	0.7
347.58789	0.7
350.08939	3.8
427.14624	0.7
486.15933	1.1
557.14209	13.0
617.16132	1.1
824.21753	8.6
825.23358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98853	0.7
65.27274	0.8
67.18526	0.6
68.56662	0.6
85.02971	0.6
89.78407	0.7
92.55988	0.7
96.96010	0.9
113.02451	1.0
119.05011	1.4
120.04546	1.5
122.02525	1.1
132.04552	2.8
134.03760	0.9
137.02446	0.7
144.04532	5.4
146.06148	1.2
147.03282	6.7
160.04041	22.5
161.04813	1.5
162.05609	100.0
163.05959	1.6
174.05598	1.2
178.05112	1.4
180.48836	0.7
186.05626	1.6
187.02725	1.0
188.03528	24.1
190.02783	1.1
190.05141	1.0
202.05103	1.2
204.06647	3.9
206.04604	43.3
230.04619	3.4
248.05655	5.8
290.06641	2.9
301.76569	0.7
347.58789	0.7
350.08939	3.8
427.14624	0.7
486.15933	1.1
557.14209	13.0
617.16132	1.1
824.21753	8.6
825.23358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.5
61.98831	13.7
62.66389	1.5
69.03484	2.1
71.01041	2.4
71.01385	45.8
72.99303	4.3
73.02914	3.3
75.00870	36.9
78.43942	1.7
78.90287	1.7
83.01366	2.5
85.02470	2.6
85.02950	52.6
86.68851	1.7
87.00875	13.0
89.02447	12.8
95.01362	7.1
95.34769	1.7
99.00850	14.7
101.02416	12.2
113.02441	52.6
115.00371	4.1
117.01915	2.8
119.03484	1.9
132.02177	1.9
133.02924	20.0
134.03691	3.6
136.16423	1.8
144.04510	2.3
146.06140	3.1
160.01622	4.3
160.04013	7.3
161.02411	48.8
162.05588	12.9
173.04573	3.2
175.00270	1.9
175.04001	9.6
178.05052	2.2
188.03589	6.2
190.05072	2.8
193.05054	4.1
206.04555	4.3
207.04790	2.2
210.88896	2.0
223.08569	2.0
763.20795	9.7
825.42810	100.0
826.43079	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	826.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
61.98838	6.5
71.01392	0.5
88.54489	0.4
96.17819	0.5
101.02436	0.8
117.03446	0.8
132.02133	3.2
133.02954	40.6
134.03738	8.3
135.04509	2.9
144.04509	0.7
146.06151	2.0
149.06070	1.8
160.01645	6.4
160.04012	1.1
161.02448	100.0
162.02783	0.8
162.05600	3.7
175.03992	9.3
178.02731	0.7
179.03505	2.4
188.03522	1.0
193.05051	7.9
206.04579	0.8
409.40015	0.5
506.41406	0.5
601.18048	1.0
626.16284	0.5
730.69183	0.6
763.20880	25.8
764.22125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14111	0.8
59.01389	1.7
61.98848	1.1
67.62500	0.8
71.01389	4.8
73.02939	1.5
76.77646	1.0
77.47417	1.1
82.95451	1.1
83.01428	1.1
84.95257	0.9
85.02972	1.1
87.00874	1.3
88.98799	1.8
96.95976	1.4
101.02431	2.1
117.03489	1.0
119.05069	1.4
120.04542	1.4
132.04572	10.1
133.02942	1.2
134.03664	1.2
135.04523	1.7
137.02408	1.1
137.72162	1.0
144.04555	17.7
145.03021	2.1
146.06110	4.4
147.03270	1.1
148.03964	1.1
160.04025	52.2
161.02434	4.6
161.04765	5.2
162.01988	2.3
162.05598	86.3
163.05840	1.0
174.05560	2.2
178.05067	8.0
186.05634	1.9
188.03531	100.0
189.03912	1.7
190.05074	2.4
202.05087	1.3
204.06706	7.2
206.04605	28.3
207.04915	1.2
230.04570	6.7
244.05978	1.1
248.05754	8.8
290.06741	2.2
293.74081	1.3
350.08902	10.0
392.91599	1.4
440.15665	24.9
456.15033	1.9
791.25098	30.2
792.25043	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	827.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34480	0.9
59.01385	23.7
61.98802	1.4
63.04514	0.9
71.01386	35.1
71.72075	1.2
72.99293	5.6
73.02937	4.7
75.00457	1.8
75.00877	30.7
83.01380	5.1
84.02180	1.5
85.02468	1.7
85.02959	37.9
87.00891	8.3
89.02455	10.7
91.19122	1.1
95.01381	6.3
99.00896	12.1
101.02481	9.2
113.02450	38.9
115.00395	2.6
115.28838	1.0
117.01974	1.5
119.05023	6.4
123.92702	1.1
131.03595	1.6
134.03720	5.0
144.04597	1.6
146.06082	2.5
147.37964	1.1
149.02483	1.2
160.04077	2.0
161.02431	11.8
161.57759	1.2
162.05595	8.3
163.04112	1.5
173.04494	2.2
175.02519	2.3
190.05280	1.3
194.08624	1.2
455.18948	1.4
536.80377	1.5
827.44519	100.0
828.44824	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	827.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	18.6
61.98818	4.3
64.45388	0.8
68.99805	1.4
71.00987	1.2
71.01379	25.1
72.99303	4.1
73.02921	4.3
75.00870	24.5
83.01395	1.7
85.02461	1.6
85.02947	29.5
87.00886	7.0
89.02454	8.1
95.01372	3.7
99.00861	8.3
99.33389	1.1
101.02431	10.2
113.02443	32.3
115.00317	2.0
117.01945	1.1
117.03484	1.0
119.03445	1.6
119.05045	7.1
129.01883	1.0
131.03505	1.3
134.03716	6.1
135.04576	1.0
136.01640	1.1
144.04579	1.4
145.02933	1.9
146.06216	1.2
149.06065	3.4
151.04012	0.9
157.01448	1.5
160.03966	1.2
162.05646	3.5
163.04002	3.5
173.04543	4.1
175.02492	2.2
175.03987	1.5
188.03572	1.2
193.05115	1.0
195.67758	0.9
206.04417	1.2
274.09573	1.3
511.20895	1.6
827.44452	100.0
828.44983	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	828.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	7.5
61.35412	0.8
62.65848	0.7
69.03465	0.7
71.01382	6.7
72.57357	0.7
83.01364	1.2
85.02969	3.1
87.00878	1.6
89.02435	8.3
97.02914	1.2
99.00877	1.9
101.02409	4.3
102.35830	0.7
107.63818	0.8
113.02433	3.7
116.05045	11.8
117.60838	0.7
119.03515	1.8
125.02466	8.3
128.05055	4.0
130.06596	6.3
131.03775	5.9
132.04532	3.5
143.03503	1.5
144.04547	40.7
145.02968	1.0
146.06114	100.0
147.06441	1.2
156.04533	1.2
160.04060	1.3
161.04570	4.4
162.05615	12.5
170.06071	0.9
172.04045	31.8
174.05667	1.1
179.05576	7.2
190.05104	83.4
191.05467	3.6
203.05614	1.0
214.05051	1.2
232.06160	5.4
262.07489	0.9
292.08313	1.5
323.09863	1.2
341.10867	7.3
437.02826	0.9
480.14984	2.0
496.14697	9.0
498.16034	1.9
514.15564	20.7
653.19922	3.6
671.20929	23.1
672.20813	1.2
828.26440	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	831.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
59.63491	0.1
61.63615	0.1
61.97848	0.1
63.18012	0.1
63.67226	0.1
64.34519	0.1
66.89880	0.1
71.01371	0.3
73.02917	0.3
73.52246	0.1
85.02919	0.2
87.00889	0.2
89.03963	0.3
93.03452	0.2
94.46727	0.2
99.00870	0.1
101.02452	0.4
117.03452	42.2
118.03757	0.4
119.05017	3.7
121.03050	0.2
125.02450	0.2
126.71567	0.2
132.02156	3.6
133.02954	1.1
134.03726	5.3
135.04489	0.2
143.05077	0.2
145.02946	100.0
146.03285	2.4
149.06082	1.1
160.01645	14.3
161.02415	1.9
163.03990	3.0
175.03987	14.0
176.04642	0.2
178.02734	0.8
179.03444	0.6
193.05054	4.8
199.17461	0.2
235.06108	0.2
242.05991	0.2
245.72086	0.2
265.07117	0.2
319.08154	0.2
319.29111	0.1
337.09473	0.3
398.22150	0.2
525.13934	0.3
601.17957	0.2
625.17407	0.3
643.19464	0.6
667.18524	0.3
685.20154	0.7
729.20386	0.4
747.22089	0.2
771.21161	1.9
789.22394	2.8
831.23621	12.6
832.23828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75474	0.7
88.41402	0.7
117.03465	17.5
119.05015	19.3
120.05355	1.4
132.02190	1.7
133.02914	2.0
134.03738	100.0
135.04555	30.7
145.02953	37.5
146.03294	1.8
148.05280	1.2
149.06084	70.4
150.06372	1.8
160.01663	4.8
161.02429	1.0
163.03992	8.3
165.01852	1.1
175.04041	7.1
175.05467	1.1
190.05136	3.7
204.06653	3.6
230.08249	1.8
231.08936	1.4
247.10881	9.0
248.11613	2.0
249.05472	1.2
273.08768	8.0
274.09616	24.7
275.10266	1.4
289.11960	37.1
289.17181	1.0
353.97922	0.9
423.15680	1.8
439.18790	69.8
440.19064	4.1
449.13586	1.1
464.15829	1.1
479.18216	4.2
486.49335	1.1
599.20862	1.4
629.25427	11.2
630.25641	4.6
631.25671	2.0
646.30737	1.0
685.39728	1.0
813.36255	1.0
831.23132	3.7
831.37811	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	832.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
60.99298	2.0
65.31397	0.4
70.78518	0.5
76.53952	0.5
78.95901	9.8
81.60407	0.5
95.32811	0.5
96.96951	0.5
102.80960	0.5
106.50915	0.5
113.09647	0.5
121.02824	0.5
152.99554	3.2
155.00160	0.4
168.04268	0.9
203.49452	0.5
223.76842	0.5
224.06958	3.1
241.01341	0.4
242.07962	0.9
246.73009	0.5
255.23366	1.0
269.19043	1.9
271.20667	4.4
277.21707	29.6
279.23221	1.1
289.21722	8.0
295.49576	0.5
297.24182	3.4
313.23676	0.6
315.19702	100.0
315.25247	30.5
316.20041	4.4
316.25674	0.6
358.33218	0.5
420.69702	0.5
458.49054	0.6
502.29456	40.1
503.29449	1.0
521.56628	0.5
693.40509	0.7
832.51892	3.0
833.50732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.9
71.01370	0.5
73.02943	0.2
75.21720	0.1
75.37791	0.1
85.02934	0.2
87.00892	0.2
89.03960	0.2
97.02961	0.2
101.02432	0.9
105.03444	0.7
107.05080	0.2
113.02435	0.4
115.01862	0.3
117.03448	0.7
119.05043	0.2
123.04478	0.2
132.02161	2.7
133.02943	43.7
134.03850	1.1
135.04512	16.5
137.02419	0.6
142.49237	0.2
143.03476	0.3
149.06078	0.2
159.04459	0.2
160.01668	0.2
161.02443	100.0
162.02779	1.1
162.05655	0.2
175.03949	0.2
177.05553	0.9
179.03506	12.6
187.40707	0.1
203.03546	0.6
207.06851	0.2
221.04570	0.8
233.04640	0.7
251.05632	0.8
271.13187	0.2
305.06668	0.6
323.07529	0.5
365.08850	0.7
383.11664	0.2
587.16962	0.2
629.17035	2.5
671.18414	7.9
791.20416	0.8
833.21600	15.1
834.21277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88139	0.4
59.01390	3.4
70.15661	0.4
71.01387	0.6
78.95912	0.6
101.02445	0.6
117.03514	0.6
119.04984	0.7
132.02156	3.2
133.02951	42.1
133.57027	0.5
134.03712	2.1
135.03552	0.9
135.04523	19.4
137.02451	0.5
140.68217	0.5
142.23320	0.5
143.62701	0.5
149.06064	0.9
160.01721	1.7
161.02441	100.0
162.02821	1.2
162.05661	0.9
163.04129	0.6
175.04034	0.5
177.05580	0.6
179.03491	14.4
189.08478	0.5
195.30655	0.6
230.47672	0.5
240.46785	0.5
323.07635	0.6
326.27051	0.4
365.08630	0.7
383.12146	0.6
439.18173	0.6
576.18262	0.6
580.59308	0.6
629.17712	3.5
671.18317	10.2
791.20062	0.8
833.21460	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	837.258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.3
62.74194	0.2
66.41159	0.2
66.81938	0.3
71.01384	2.6
74.66183	0.2
78.82167	0.3
79.64128	0.3
81.76955	0.3
85.02917	1.5
86.55545	0.3
87.00854	0.3
89.02438	1.8
91.01902	0.3
92.22414	0.3
96.95948	0.4
101.02431	2.0
104.05029	0.3
113.02428	0.7
119.03482	0.6
119.05025	1.2
120.04534	1.9
131.03702	0.3
132.04541	11.1
133.02910	0.3
134.03712	1.3
134.06136	1.1
135.06645	2.0
137.02429	0.4
144.04550	16.2
145.02942	0.5
146.06100	1.6
147.03290	3.6
148.04073	1.2
159.03244	1.5
159.04497	0.3
160.04036	53.4
161.04709	3.0
162.01942	1.5
162.05606	100.0
163.04008	0.3
163.05988	2.0
174.05614	1.3
175.02689	0.3
175.11258	0.3
176.03491	0.5
176.07120	0.4
178.02779	0.4
178.05086	8.5
179.05553	0.4
186.05629	1.7
187.02762	1.4
188.03531	94.0
189.03867	1.8
190.05080	1.8
193.05052	1.4
202.05075	2.2
204.03093	1.1
204.06667	4.1
206.04601	45.8
207.05052	0.3
219.10304	0.4
228.06726	0.4
230.04591	4.0
248.05685	7.9
290.06821	2.9
350.08899	3.0
486.16211	36.7
487.16806	1.3
502.15729	8.1
539.05029	0.3
539.13049	1.5
777.22845	0.5
787.46869	0.3
837.25781	21.1
838.25531	1.5
851.63416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97707	0.5
59.01381	3.2
62.11786	0.5
71.01380	3.2
72.77861	0.5
73.02955	0.6
85.02943	1.0
88.08836	0.5
89.02439	0.9
92.75026	0.6
96.95985	1.1
101.02448	0.9
113.02453	1.2
119.05029	2.4
120.04558	1.0
123.04495	0.6
132.04553	10.6
144.04549	16.3
145.02965	2.5
146.06012	0.6
147.03267	2.6
159.03192	0.7
160.04039	51.3
161.04800	4.1
162.05603	100.0
163.05997	2.8
174.05566	1.1
178.05099	8.4
186.05556	0.9
187.02713	0.7
188.03532	92.3
189.03850	2.8
190.05077	1.0
202.05145	3.5
204.03091	0.7
204.06674	4.2
206.04604	39.1
207.04990	0.7
228.06622	0.6
230.04568	3.9
237.07727	1.0
248.05666	8.9
290.06998	1.6
305.38623	0.6
350.08823	3.0
453.22867	0.6
486.16150	35.1
487.17044	1.9
629.99890	0.6
634.96600	0.7
738.24445	0.6
756.05731	0.7
837.25763	21.8
838.26367	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	839.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00562	1.2
64.17800	1.3
89.27580	1.3
92.11742	1.7
117.03488	2.2
119.05020	7.0
123.00883	6.9
132.02144	3.4
133.02951	3.3
134.03737	100.0
135.04482	10.4
136.01683	2.4
137.02454	3.5
138.03229	7.3
147.04539	6.0
149.06082	29.5
153.05606	7.3
160.01660	8.7
161.02477	2.6
163.04050	1.9
175.00385	6.5
175.04041	7.6
176.01143	2.0
178.02727	7.4
190.02763	1.6
192.04338	6.7
193.05083	27.7
218.08380	2.0
220.15414	1.5
247.10991	1.9
274.09656	8.1
289.11987	8.1
298.88812	1.5
303.46844	1.7
349.17105	3.7
465.14163	2.0
495.17822	19.5
585.02448	1.6
615.46130	1.8
645.24664	74.2
646.25037	6.2
719.40082	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	840.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98837	100.0
81.11566	0.2
92.12419	0.5
93.03474	0.3
120.87266	0.3
126.64320	0.3
132.02150	2.3
133.02942	0.6
134.03720	2.2
146.06126	0.4
149.06075	0.4
160.01656	10.9
160.03978	0.4
161.02425	1.5
162.05702	1.2
164.35928	0.3
175.03967	12.0
176.04320	0.4
178.02721	0.3
181.59746	0.3
188.03642	0.5
193.05083	2.2
206.93831	0.3
208.87640	0.3
237.03357	0.3
308.20450	0.3
601.18140	0.6
644.45831	0.4
777.22278	3.6
840.56964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
66.63164	0.6
71.01394	1.5
101.55599	0.8
132.02184	1.5
133.02910	1.1
134.03732	41.3
135.04539	10.6
144.04562	1.1
146.06161	1.1
149.06084	25.7
158.49727	0.7
160.01657	14.1
160.03905	1.9
161.02327	1.6
162.05583	5.3
175.03996	23.1
188.03528	1.1
190.05070	1.1
193.05089	5.7
197.04646	1.1
206.04581	1.2
247.10846	1.6
248.11894	1.0
263.14056	0.9
273.08832	3.7
274.09586	10.7
289.12018	20.0
318.01416	0.7
337.09351	13.5
439.18784	15.5
544.89044	0.8
580.61768	0.7
627.21735	0.8
777.28760	40.5
778.28424	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	841.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.4
87.08322	0.2
87.63635	0.2
88.32415	0.2
89.03964	0.3
93.03445	0.3
106.04247	0.4
109.02938	0.3
111.19434	0.2
117.03452	2.1
119.05022	1.2
121.02953	1.9
132.02164	2.5
133.02942	4.1
134.03734	100.0
135.04543	11.5
136.01530	0.2
137.02440	7.6
139.03999	2.9
145.58627	0.2
147.04544	1.1
148.05298	1.3
149.02461	1.0
149.06082	33.2
150.03210	0.7
150.06268	0.2
151.00418	0.4
160.01669	8.8
160.03926	0.3
160.05251	0.3
161.02470	1.7
161.06062	0.7
162.05598	0.3
162.06860	0.2
165.01939	1.1
166.02710	0.3
175.02562	0.4
175.04007	7.9
176.03510	0.4
177.01933	1.9
178.02718	27.1
179.03442	1.1
180.04263	0.3
181.05069	0.3
190.05150	0.9
192.04282	2.5
193.05067	40.4
194.05403	0.3
195.06644	0.3
204.06711	1.4
207.06607	0.9
230.08192	0.4
231.09041	1.1
246.11327	0.2
247.10887	3.0
248.11720	1.1
263.14029	0.8
273.08847	3.7
274.09622	11.2
275.10190	0.5
289.11954	11.7
290.12326	0.3
383.11343	0.8
401.12479	1.8
423.15891	0.3
437.17535	0.3
438.18298	0.8
439.18823	11.8
493.20001	0.9
517.67633	0.2
583.21191	0.2
629.24872	1.9
663.71234	0.2
665.27100	2.6
691.25323	4.9
823.30194	0.3
841.32092	17.2
842.31848	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	844.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.5
61.98825	2.0
70.43103	0.7
71.01356	4.0
71.98997	0.7
87.00837	1.0
89.02453	1.7
101.02396	1.8
102.01931	0.9
113.02444	1.5
119.05010	8.3
125.02448	7.1
130.06610	1.1
132.04562	9.4
133.02917	1.6
134.06075	1.0
136.01689	3.3
144.04573	13.2
146.06071	2.1
147.03305	1.5
148.04025	1.7
160.04037	41.3
161.02441	6.6
161.04535	1.7
162.05597	100.0
163.05818	1.0
178.05118	5.9
179.05611	1.9
188.03525	65.9
190.05029	0.9
190.23369	0.9
195.12819	0.9
204.06633	1.7
206.04579	47.7
211.63130	0.9
230.04608	1.8
238.33980	0.8
243.35086	0.9
248.05647	10.5
259.10687	3.7
308.07794	1.6
512.14081	7.6
530.07483	1.6
530.15082	32.9
543.79126	1.1
584.14801	1.0
687.20483	32.6
806.22247	1.3
844.25903	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	844.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
70.02985	0.9
71.01379	11.1
78.95880	0.7
88.04033	73.0
91.72372	0.6
96.99287	4.3
105.78205	0.6
114.01963	2.5
115.00361	15.4
115.01696	0.7
132.02997	3.2
248.98997	0.7
278.24878	13.0
279.23297	21.4
280.23694	0.9
281.24893	10.0
285.37061	0.7
302.18753	0.6
315.61948	0.8
332.25903	1.5
350.27057	10.8
394.26016	100.0
395.26340	4.7
449.26730	3.1
767.10315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
60.43463	0.2
65.03963	0.3
71.01377	1.6
71.10527	0.3
72.99312	0.4
73.02946	0.3
85.02943	0.4
89.02449	1.3
93.03447	67.8
99.00906	0.7
101.02435	1.3
113.02430	0.7
117.78497	0.3
118.36465	0.3
119.03355	0.3
125.18158	0.3
137.02438	100.0
138.02759	0.5
147.04539	2.8
159.04437	0.3
165.05614	0.5
175.03999	0.5
182.02187	0.4
182.46368	0.3
190.05156	0.4
197.04454	0.5
229.91209	0.3
281.06702	0.3
294.63684	0.3
299.07846	0.3
327.10876	4.8
431.12000	8.0
517.15375	0.4
845.23645	19.0
846.23950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.8
59.31694	0.5
71.01379	2.5
75.12994	0.7
80.41090	0.5
82.72932	0.6
85.02952	1.3
96.96020	1.0
101.02409	0.9
108.02186	0.7
110.00114	1.4
111.00922	0.7
113.02422	1.2
117.03458	0.7
125.02493	1.1
132.02161	13.3
133.02950	3.5
134.03734	22.5
135.04514	3.7
137.02426	1.4
137.99632	1.1
139.00409	7.8
139.04013	0.6
144.04533	0.7
145.02957	0.8
149.02423	0.7
149.06053	4.2
153.01945	33.3
154.02739	8.6
155.03394	0.8
160.01662	87.0
160.03963	2.8
161.02448	12.5
162.05580	5.9
167.03545	0.7
168.04280	11.7
169.05058	4.8
175.04001	100.0
176.04509	1.3
178.02707	1.3
179.03482	3.4
188.03528	2.5
193.05055	18.3
205.05037	1.0
206.04573	2.6
246.19099	0.6
323.07764	1.2
337.09366	31.7
337.13477	1.3
493.13721	1.3
507.15118	43.9
508.15390	1.2
642.86157	0.7
669.20123	4.4
845.24756	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	847.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.4
71.01385	0.2
71.13831	0.1
71.19501	0.1
73.02972	0.2
77.03960	0.2
89.03989	0.2
100.68325	0.2
101.02429	0.2
105.03452	0.9
106.17191	0.1
113.02444	0.2
115.01871	0.2
117.03458	0.8
123.04536	0.2
127.36606	0.1
132.02171	4.1
133.02954	48.5
134.03781	4.3
135.04527	2.9
137.02441	0.2
146.06044	0.1
149.06108	0.9
160.01672	4.5
161.02449	100.0
162.02823	1.6
175.03999	5.6
178.02756	0.6
179.03528	2.3
185.22005	0.2
191.97356	0.2
192.08110	0.1
193.05080	4.1
265.07196	0.2
268.30066	0.1
380.15518	0.1
541.14081	0.2
629.17792	0.2
643.19531	0.3
671.18738	1.6
787.21564	0.7
805.21991	2.1
847.23181	14.2
848.23364	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
63.43285	0.1
66.13532	0.2
71.01367	0.4
73.02927	0.3
75.94775	0.1
76.57951	0.2
77.03941	0.2
85.02936	0.3
87.00843	0.2
89.03965	0.4
101.02409	0.3
104.02659	0.3
105.03443	0.9
106.78678	0.2
113.02434	0.4
113.75506	0.2
115.01894	0.4
116.92857	0.4
117.03440	0.9
119.05018	0.7
123.04492	0.4
132.02158	5.0
133.02937	51.6
134.03757	5.0
135.04509	3.6
149.06076	0.9
160.00334	0.2
160.01645	5.2
161.02435	100.0
162.02847	1.5
162.05629	0.2
164.85085	0.2
175.04004	5.8
178.02730	0.4
179.03479	2.1
193.05060	3.8
601.17072	0.2
626.96490	0.2
671.17975	1.8
787.21124	0.4
805.21924	2.5
811.44537	0.3
847.22998	13.1
848.23694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01161	0.2
59.01386	3.8
61.90657	0.2
71.01381	1.6
73.02915	0.3
74.03452	0.2
75.00851	0.2
83.01384	0.5
85.02932	1.1
87.00859	0.8
89.02406	0.2
92.12375	0.2
96.96042	0.3
99.00847	0.4
101.02431	1.2
104.02680	0.3
105.03442	0.9
109.02957	0.3
113.02437	1.6
115.01888	0.3
115.34485	0.2
117.03439	1.3
119.05005	0.4
121.02973	0.3
125.02409	0.3
132.02158	9.2
133.02946	43.1
134.03752	7.0
135.04521	15.8
137.02460	0.9
139.03947	0.2
145.02956	0.2
149.06079	1.3
159.04558	0.4
160.01654	25.1
161.02440	100.0
162.02756	2.6
163.03999	0.3
175.03989	16.6
176.04248	0.4
177.05594	0.8
178.02701	0.8
179.03497	12.4
193.05042	3.6
203.03482	0.3
221.04424	0.3
223.19333	0.2
233.04596	0.7
251.05606	0.4
305.06793	0.5
365.08777	0.7
465.41495	0.3
587.15717	0.3
611.16406	0.4
629.17279	1.6
671.18433	4.9
763.21130	0.3
787.20703	0.5
805.21930	5.5
806.21680	0.3
809.43323	1.9
810.43811	0.8
811.44415	0.8
847.23120	16.7
848.23065	1.5
869.54443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.64512	0.6
61.98826	0.8
63.69676	0.6
71.01368	1.2
75.29994	0.5
83.01404	0.6
87.00864	1.0
89.02442	1.0
92.11671	0.7
95.87508	0.5
101.02434	0.9
116.05049	0.7
119.04946	0.8
131.03767	1.0
132.04520	2.4
134.03638	0.6
134.06151	1.0
144.04567	12.7
146.06128	19.7
147.03239	2.9
148.04031	3.9
153.01938	0.7
158.06155	1.3
160.01686	3.2
160.04028	22.6
161.04660	0.7
162.05609	100.0
163.05949	1.2
172.04048	4.8
174.05574	3.0
175.04027	4.4
176.03482	0.7
178.05098	1.3
186.05585	4.4
188.03529	44.2
189.03944	0.9
190.02773	0.6
190.03427	0.9
190.05095	13.5
204.06639	1.0
205.05107	0.6
206.04599	65.6
207.04927	0.9
230.04608	5.4
232.06244	1.1
248.03128	0.9
248.05638	19.8
308.07687	1.2
350.08694	0.9
368.10138	0.8
457.56021	0.7
512.17529	2.5
790.92255	0.8
847.27850	35.3
848.27795	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	847.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
61.98827	0.8
71.01359	1.3
87.00866	0.7
96.96005	2.3
101.02460	0.7
113.02413	0.7
116.05054	0.9
119.04991	2.0
120.04507	0.9
128.05113	0.7
131.03804	0.9
132.04503	1.4
134.03716	1.0
144.04553	11.5
145.02951	0.7
146.06131	12.1
147.03246	3.9
148.04031	4.4
152.01138	0.6
153.01851	0.9
158.06111	0.7
160.01773	4.2
160.04045	23.0
161.02370	1.4
161.40500	0.6
162.05615	100.0
163.05968	0.9
172.04065	3.6
174.05627	1.2
175.04016	3.5
178.05132	1.0
186.05678	4.3
188.03539	42.4
190.05133	8.6
193.05067	0.7
202.05203	0.9
204.06708	1.0
206.04610	60.1
230.04620	5.5
232.06161	0.8
248.05650	20.1
253.13336	0.6
278.06708	1.2
279.23077	0.6
289.66483	0.7
308.07742	1.4
334.09280	1.1
338.09195	0.9
443.95297	0.6
493.83032	0.7
508.15332	0.7
512.17731	3.0
541.14789	1.2
577.94849	0.6
614.88367	0.6
677.82819	0.7
719.51569	0.6
743.11938	0.6
781.44482	0.6
847.11407	1.1
847.27802	31.4
848.27869	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	847.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.0
63.68307	0.4
68.41669	0.4
71.01419	0.4
91.01880	0.7
92.12389	0.6
92.62685	0.4
93.03439	1.6
93.87255	0.4
108.02171	5.0
108.70835	0.4
109.02939	1.7
117.03471	2.6
119.05019	100.0
120.05365	2.2
123.04544	3.3
125.21029	0.4
130.04245	1.0
132.02150	0.4
133.02951	0.9
134.03735	64.4
135.04552	14.9
144.04494	0.7
145.02940	7.7
149.06084	25.7
150.03253	0.4
151.04008	0.6
158.03770	4.9
159.04498	6.4
160.01654	4.1
160.04030	0.7
161.02557	1.3
162.05637	2.0
163.04013	1.0
173.06082	5.9
175.03987	4.2
188.03485	1.0
190.05072	0.5
204.06732	0.7
205.04921	0.5
206.04604	0.6
214.05142	0.8
216.10347	2.4
222.06804	0.6
227.09625	0.4
230.08395	0.5
231.09024	0.9
233.12988	3.2
237.05653	1.5
238.06351	3.9
239.07170	1.6
247.10997	0.8
248.11568	0.8
249.05585	2.0
249.12350	0.6
250.06329	0.8
251.07025	0.8
255.08977	1.0
256.09824	0.9
259.10910	8.3
263.13998	0.9
265.05066	7.0
266.05859	9.9
267.06628	12.3
268.07300	2.0
269.04663	0.6
270.10376	2.3
273.08951	1.7
274.09604	6.8
275.10226	0.5
279.14197	0.4
280.07437	2.8
281.08194	21.8
282.08939	10.7
283.09702	5.3
289.12015	5.3
290.12350	0.5
293.04626	1.6
295.09705	3.4
297.11337	2.2
298.09576	3.3
299.10388	4.2
306.07492	0.5
313.11929	4.3
322.06961	1.4
334.10864	0.5
336.08707	0.8
364.11832	1.8
377.11606	2.9
378.13110	0.7
379.14188	5.9
381.14673	0.6
392.14453	2.1
393.15280	0.4
394.16653	3.1
396.17111	2.8
405.10489	0.7
406.11780	1.6
407.12546	2.2
411.19324	2.7
420.13281	1.8
421.14078	4.3
422.14899	22.4
423.15518	0.9
435.15808	3.0
437.17239	21.9
438.17712	0.9
459.15747	0.5
463.15009	0.9
489.16534	0.6
525.17188	0.5
540.19080	1.6
541.20056	1.7
555.21484	1.0
557.23096	4.1
577.23157	13.0
583.20978	3.0
585.22687	0.5
587.23853	5.9
613.22070	2.3
671.30444	0.6
697.29016	14.9
698.29114	0.7
700.28381	0.4
701.31653	0.5
711.30530	0.7
727.29987	25.4
728.30457	1.9
747.35248	0.5
847.35651	52.1
848.35938	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	847.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52509	0.6
64.25715	0.5
67.14973	0.5
67.35994	0.6
71.08868	0.5
77.21303	0.5
92.11826	0.8
93.03449	1.1
107.17667	0.6
108.02155	0.6
109.02934	0.6
117.03449	1.4
119.05019	95.7
120.05349	1.3
121.02922	4.2
132.05739	0.7
133.02924	3.0
134.03732	45.7
135.04532	16.8
137.02428	0.7
145.02971	8.5
146.06110	1.0
147.04483	0.8
148.05302	2.5
149.02528	0.8
149.06078	20.4
149.07205	1.2
156.58034	0.7
159.04597	0.6
160.01659	3.2
160.05284	0.8
161.02484	1.0
162.05649	2.4
163.03992	1.1
173.02460	0.7
174.03322	0.7
175.04037	3.2
186.09259	0.8
190.05092	1.3
197.06085	1.1
204.06645	1.4
211.04066	0.8
211.07687	4.2
216.10300	5.5
219.77679	0.6
221.06126	4.6
222.06815	1.0
223.07616	4.0
231.08946	0.8
233.06271	0.7
237.05609	5.2
238.06296	2.4
239.07140	16.2
247.10843	2.5
248.04820	0.8
248.11755	0.8
249.05629	4.2
250.06348	2.6
251.03481	3.0
251.07130	0.9
252.07852	1.0
259.10904	24.2
263.13907	1.2
265.05026	6.0
265.08902	0.6
266.05826	3.2
267.06647	100.0
268.07306	11.1
269.08148	0.6
273.09024	4.4
274.09607	15.6
279.06494	1.0
280.07114	0.9
281.08096	2.8
282.08997	74.3
283.09772	10.2
289.11972	11.0
293.04495	4.9
297.11340	62.0
298.11829	1.1
308.06915	4.7
309.07489	0.7
323.09335	5.3
329.11453	0.8
336.12540	0.9
353.15067	1.0
361.11676	0.7
363.13623	1.1
364.11951	3.0
379.13208	3.4
381.14716	4.7
391.12793	0.6
394.16345	2.6
396.16876	4.6
407.12549	16.7
411.19177	5.3
421.13959	1.1
422.14951	15.4
423.15027	1.0
437.17194	17.7
448.12936	1.4
463.15494	3.0
542.20605	1.5
551.25238	0.7
557.23041	33.8
558.23389	1.3
572.21716	0.8
577.23151	2.5
583.20972	26.6
587.24054	19.9
613.22156	14.5
671.31128	1.2
697.28589	8.6
701.31842	3.6
727.30249	10.2
847.35687	74.8
848.36230	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	849.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27355	0.1
74.89304	0.1
83.34282	0.1
105.03448	0.3
106.04251	0.2
107.05041	0.3
109.02941	0.1
109.32059	0.1
113.49632	0.2
116.50249	0.1
119.05020	19.3
120.05325	0.2
132.02180	0.3
133.02948	3.8
134.03737	100.0
135.04527	29.9
137.02431	0.6
144.04565	0.2
145.02988	1.3
146.06126	0.2
147.04533	1.3
148.04152	0.3
148.05296	2.9
149.06081	64.3
150.06429	1.0
155.57626	0.1
160.01654	2.1
160.04044	0.2
161.02448	2.1
161.06068	1.6
162.03198	0.6
162.05618	0.9
162.06802	0.2
175.02737	0.6
175.04045	3.6
176.03520	1.4
178.04985	0.2
186.09305	0.3
189.04286	0.2
190.05093	2.9
194.02130	0.2
202.05147	0.2
204.06673	4.3
206.04530	0.3
216.06595	0.2
216.10315	0.7
218.08191	0.7
219.11469	0.2
229.09921	0.3
230.08267	1.8
231.09059	2.3
232.09731	0.7
233.12880	0.3
246.11229	0.8
247.10898	10.5
248.11661	3.8
259.10895	6.1
261.12488	0.3
263.14011	2.5
273.06052	0.3
273.08850	6.8
274.09628	28.9
275.10324	2.5
289.11972	39.6
290.12323	1.1
357.08853	0.1
393.14612	0.2
409.17749	12.6
410.17914	0.6
423.15814	1.9
424.16385	1.0
439.18796	72.8
440.19125	2.6
692.00623	0.2
796.68500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
60.10355	0.1
61.74042	0.1
71.01379	2.1
73.02953	0.9
75.00869	0.1
76.57912	0.1
83.01400	0.5
85.02937	1.5
87.00832	0.2
89.02437	0.6
95.01402	0.1
96.95995	2.0
99.00887	0.2
101.02427	2.4
102.61345	0.1
105.00085	0.1
113.02419	1.0
117.03442	1.1
119.05007	1.7
120.05379	0.2
123.04458	0.2
126.19489	0.1
132.02150	0.5
133.02940	21.1
134.03659	0.6
135.04504	5.7
137.02422	0.6
142.48723	0.1
142.58011	0.1
144.04561	0.2
145.02963	0.3
146.06155	0.2
149.01204	0.1
159.02908	0.1
160.01704	0.1
160.04022	0.2
161.02435	100.0
162.02783	2.1
162.05605	0.8
163.03993	0.2
178.02698	0.1
179.03482	3.5
188.03534	0.2
190.05132	0.3
193.04950	0.1
203.12508	0.1
206.04547	0.5
221.83440	0.1
290.18625	0.2
316.16690	0.2
317.17163	0.1
342.76538	0.1
413.14554	63.8
414.14911	2.9
436.22589	1.0
437.22614	0.2
498.23874	0.1
734.90643	0.2
750.80261	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	853.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77652	0.4
61.98824	1.0
63.33993	0.4
71.01366	1.1
85.02920	0.7
91.01830	0.5
92.11664	0.4
92.12185	2.1
96.95997	0.9
101.02439	0.5
104.12286	0.4
107.05016	0.9
114.31553	0.4
119.05022	1.1
120.04556	0.8
121.02898	0.5
121.63730	0.4
123.04480	0.8
131.03566	0.6
131.67778	0.5
132.04558	4.4
133.02892	0.8
134.06108	0.6
144.04547	5.5
145.02924	0.6
146.06129	2.6
147.03253	5.5
148.04085	1.0
149.01184	0.5
151.04013	0.5
158.06122	0.7
159.03253	1.0
160.04039	27.5
161.02386	0.6
161.04781	3.4
162.01955	2.1
162.05600	100.0
163.05962	2.7
167.03581	0.5
174.05583	0.9
175.04004	1.7
176.03500	0.7
176.07153	0.7
178.05072	2.6
186.05591	2.8
187.02779	2.0
188.03525	28.1
190.05093	2.2
202.05099	2.5
204.03011	0.7
204.06664	5.9
206.04587	44.3
207.04948	1.1
222.04459	0.5
230.04596	7.0
248.05579	6.2
290.03961	0.6
290.06720	4.7
350.08923	3.8
368.09879	3.7
484.12735	2.2
502.13602	4.1
646.18005	2.5
850.51068	0.5
853.22845	14.1
854.24072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05229	0.2
79.89852	0.2
90.08919	0.2
93.03445	1.1
106.04230	0.2
114.38721	0.2
116.84100	0.2
117.03438	0.2
119.05021	79.7
120.05374	1.4
133.02959	1.1
134.03735	44.0
135.04527	23.1
137.02431	2.3
144.04567	0.4
145.02972	4.1
146.06117	0.3
146.91458	0.2
148.05333	1.4
149.06084	33.0
150.06473	0.4
160.01698	0.9
160.04100	0.2
161.02400	0.5
161.06107	0.8
162.03273	0.3
162.05629	1.2
167.86411	0.2
175.04050	1.3
176.03505	0.4
177.43433	0.2
186.09236	0.2
188.03500	0.4
190.05089	1.7
190.95511	0.2
194.02188	0.2
204.06636	2.2
216.10329	4.2
216.92136	0.2
218.08244	0.3
230.08244	0.4
231.08955	0.8
231.11366	0.7
232.09772	0.4
233.12943	1.9
246.11270	0.4
247.10919	6.0
248.11607	2.2
259.10892	27.9
260.11206	1.1
263.14059	0.8
273.08826	3.2
274.09616	12.5
275.10309	0.8
289.11978	23.6
290.12250	1.1
301.12268	0.2
393.14569	1.2
394.15344	0.9
409.17758	100.0
410.17987	5.3
445.15439	1.2
470.77298	0.2
869.05237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	3.0
65.00197	3.0
69.90559	3.0
71.01398	3.9
80.58897	2.7
85.02948	5.1
91.87566	3.2
101.16982	3.1
144.04570	3.9
146.06120	5.6
160.04016	7.1
162.05606	15.6
188.03664	5.2
190.05183	3.8
206.04457	6.1
235.03961	18.9
236.04790	20.9
237.05647	4.8
251.07259	4.7
263.03488	7.5
264.04324	8.0
265.04614	3.2
278.05841	17.9
279.03372	5.4
279.06595	6.9
293.08218	6.4
295.09506	3.9
307.02454	34.6
308.03125	5.6
310.37238	3.3
311.36346	3.4
314.45782	4.6
321.04175	3.5
322.04816	42.7
323.05664	6.4
334.01215	13.0
335.01993	6.0
342.95084	3.4
343.54672	4.2
349.03522	20.9
350.04312	42.0
351.04892	4.8
365.06674	94.5
482.84708	3.5
494.07977	3.7
764.66876	3.4
857.21588	100.0
857.50348	4.2
858.01740	5.0
858.22083	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24072	0.8
61.57265	0.8
61.98847	3.0
63.46305	0.7
65.99233	0.9
66.26218	1.0
71.01373	5.6
73.02915	1.3
76.31432	0.8
78.97115	0.9
85.02953	1.0
89.02415	1.8
95.06053	0.9
96.96004	2.0
101.02412	5.0
113.02442	1.2
119.03490	1.1
131.03612	1.6
132.04565	11.1
134.03697	3.8
134.54861	1.0
144.04544	18.1
146.06143	12.2
147.03246	2.1
160.01840	2.4
160.04031	52.5
161.04378	1.6
162.05597	79.1
163.05951	2.2
165.05545	1.3
172.04036	1.5
175.04033	4.0
178.05135	8.5
188.03526	100.0
190.05069	8.3
193.05106	1.2
204.06625	1.0
206.02625	1.5
206.04576	46.9
206.06432	1.8
207.04837	0.9
248.05576	5.4
365.18185	1.4
372.35614	1.0
486.16211	53.9
505.09848	1.2
630.20081	1.6
821.26056	22.1
842.08258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.551
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47363	0.4
74.02465	0.8
78.95895	5.9
81.61478	0.4
82.02970	0.7
84.04546	4.5
85.02928	0.5
100.04030	0.6
100.07687	4.2
102.05600	64.4
104.01256	0.5
107.07574	0.4
107.99615	0.4
110.98514	5.2
128.03531	71.0
129.03947	0.6
129.87775	0.5
136.19435	0.4
146.03542	0.7
146.04599	10.8
152.99635	0.8
167.01175	4.7
185.02173	2.3
278.24893	0.5
279.23300	47.4
280.23627	2.6
281.24863	84.9
282.25128	4.9
303.41687	0.5
304.26544	0.5
320.29562	1.9
346.27530	2.0
362.70859	0.5
364.28607	11.9
374.70526	0.4
390.26541	4.2
408.27573	100.0
409.28128	6.2
445.04568	0.5
449.26758	27.4
450.27051	1.8
838.55035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.8
65.73526	1.2
71.01355	1.9
73.02908	2.0
101.02458	2.0
119.05045	1.6
121.60468	1.6
144.04579	1.7
146.06070	2.5
160.04065	2.4
162.05603	8.8
173.06064	2.9
188.03499	5.7
190.05127	2.3
200.01154	38.1
200.66098	1.7
201.46028	1.7
206.04646	2.3
208.05313	2.1
211.63980	1.8
228.00658	59.3
229.01410	45.0
236.04814	3.0
237.05557	8.7
243.02982	100.0
244.03061	1.6
249.05513	1.7
252.07825	3.0
263.03436	1.9
264.04279	7.2
265.05057	17.9
266.05820	2.0
269.08240	3.1
279.03543	1.7
279.06677	6.6
280.03778	5.3
280.07324	12.4
281.08017	1.8
283.06107	10.9
293.04480	2.2
295.09781	13.5
296.07181	2.3
297.07690	6.2
308.03284	2.9
308.06720	3.0
323.05679	1.6
324.06400	2.3
335.01892	2.1
336.02777	3.1
339.08755	15.2
341.10382	2.4
351.05017	23.9
352.05847	6.9
365.06436	2.3
367.08228	38.1
507.36911	1.6
799.20264	2.2
859.22656	49.3
860.23206	3.5
879.06323	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.2
69.03438	1.5
69.79651	1.1
71.01378	11.9
73.02926	9.2
83.01373	2.2
85.02955	1.9
87.00846	3.1
101.02423	5.7
108.02177	2.0
108.97958	1.1
112.20332	1.2
113.02471	2.8
123.04537	6.0
125.02419	2.0
134.03764	1.7
135.04469	1.5
143.03496	1.6
146.06117	2.6
158.03760	5.0
159.04501	1.8
162.05609	5.7
173.06067	2.8
173.49197	1.4
175.03981	2.1
188.03534	1.4
190.05133	2.0
200.01108	16.3
201.01833	1.7
203.03648	1.4
206.04597	2.0
208.05331	1.9
209.06120	8.7
213.05559	2.0
217.05084	3.1
219.04471	3.0
221.06161	4.2
223.07761	1.6
228.00668	42.8
229.01392	33.8
235.04007	6.8
236.04758	15.5
237.05516	32.0
238.06335	1.9
239.07202	1.8
240.04185	1.7
241.05144	2.4
243.02980	73.7
244.03372	2.4
247.04025	1.4
248.04790	5.2
249.05563	5.0
250.06451	1.4
251.07126	2.7
252.07930	12.7
253.05013	6.6
255.06755	2.7
263.03534	3.0
263.07068	1.8
264.04260	18.9
265.05023	41.4
266.05692	8.5
267.03616	1.4
267.06607	7.2
268.03778	7.3
269.05020	3.4
269.08200	21.9
277.05075	4.8
279.06604	15.2
280.04105	2.2
280.07401	30.1
281.04639	6.4
281.08191	11.8
282.05286	1.6
282.08923	2.7
283.06174	34.1
284.06689	1.8
291.03091	5.1
292.03717	2.3
293.04614	10.9
295.02682	1.4
295.06409	2.8
295.09756	30.1
296.06857	11.5
297.07687	28.4
297.11121	2.3
298.08179	3.1
305.04538	1.5
306.05408	13.2
307.02820	1.7
307.06094	11.3
308.03625	1.8
308.06903	7.5
309.04041	5.3
311.05658	4.9
318.05389	4.9
322.04745	1.5
323.05688	4.8
323.09326	6.9
324.06412	23.8
325.07108	6.6
326.07977	1.4
334.04858	11.0
335.02072	1.7
335.05643	2.2
336.02750	1.9
339.08719	37.0
341.10281	7.4
349.03152	2.4
349.07208	45.8
350.04205	2.9
351.05035	12.4
352.05667	6.1
365.06592	6.4
365.10693	2.1
366.07477	7.1
367.08224	29.9
383.11920	1.6
393.09641	1.8
411.11157	1.5
465.11847	1.4
483.13092	2.2
494.11911	1.5
510.11588	5.6
511.12402	2.6
525.14307	3.0
553.13605	7.0
671.19775	1.7
731.21338	1.5
757.19647	2.7
775.21466	2.8
799.20557	9.3
817.21759	15.9
837.18042	1.7
859.23083	100.0
860.23395	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	859.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	3.8
73.02954	4.1
83.01396	1.0
91.14768	0.9
97.02918	1.1
101.02451	1.7
103.70333	0.9
108.02094	0.9
123.04545	2.2
125.02458	1.0
134.03757	1.5
137.02391	1.3
144.04585	1.4
145.02971	1.7
146.06190	1.3
149.06046	1.0
158.03738	4.5
160.01724	1.0
162.05609	6.4
173.06041	6.7
181.04970	1.1
200.01161	33.0
202.02802	1.5
203.03670	1.2
205.05013	1.0
206.04601	1.7
208.05331	4.5
209.06091	1.8
211.03943	1.4
217.05171	1.8
219.04507	1.4
228.00658	58.2
229.01428	38.5
229.90619	0.9
235.04025	2.3
236.04710	8.9
237.05580	12.1
238.06454	1.7
243.02982	100.0
244.03276	2.1
248.05026	1.4
249.05537	1.6
251.03462	1.3
252.07976	4.3
263.03421	1.3
264.04245	11.3
265.05063	17.8
266.05734	4.0
267.06540	1.1
269.08273	6.9
277.05161	1.1
279.03299	1.4
279.06580	8.0
280.03827	9.0
280.07382	11.7
281.04535	1.8
281.08212	5.1
283.06110	6.7
292.03827	1.7
293.04666	3.7
295.02341	1.5
295.09805	5.2
296.06903	2.1
297.07761	9.8
306.05209	1.8
307.02667	2.2
307.06113	5.7
308.03281	5.6
308.06934	5.0
311.05573	1.3
319.02487	1.7
322.04941	2.0
323.05673	2.0
323.09247	1.9
324.06375	2.2
325.07294	1.3
334.04861	1.3
334.08646	1.3
335.01987	5.3
336.02780	6.2
339.08813	7.6
341.10367	3.8
349.07126	4.4
350.04379	1.9
351.05145	39.1
352.05823	8.2
365.06641	2.3
366.07291	4.8
367.08215	41.4
368.08716	1.4
667.03845	1.1
756.45013	1.2
757.19995	1.7
799.20941	6.1
817.22150	5.6
859.23096	62.3
860.25140	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	859.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	0.5
67.01883	1.0
67.55689	0.3
68.93861	0.4
68.99803	0.8
69.03433	1.9
71.01380	22.4
71.81714	0.4
72.99294	3.7
73.02943	0.9
75.00866	18.1
75.15261	0.4
83.01381	1.8
85.02949	24.0
85.03469	0.9
87.00359	0.4
87.00867	8.6
89.02435	9.4
91.03993	0.7
91.05524	17.6
92.05833	0.5
93.03423	0.7
95.01367	6.2
96.96018	0.7
99.00874	10.6
99.04498	0.6
101.02432	2.0
103.00376	3.0
107.33220	0.4
111.00905	1.0
113.02440	36.5
114.45945	0.5
115.00348	2.4
117.01939	3.6
117.03437	4.8
129.01910	2.5
131.03513	1.7
132.04568	0.7
135.04518	10.2
137.02397	0.9
141.60124	0.4
144.04564	2.1
145.08722	2.0
149.04608	0.5
157.01425	0.7
160.01671	0.7
160.04054	5.9
161.02451	0.9
161.04449	0.5
162.01968	0.6
162.05592	11.8
175.02521	3.0
175.03912	0.6
178.05080	0.7
188.03514	10.4
189.03973	1.0
205.07138	0.7
206.04601	5.1
207.05099	2.8
212.12813	0.5
223.06175	0.6
230.04585	0.6
231.05110	1.9
248.05772	0.9
249.06172	28.5
267.07239	70.2
268.07547	2.0
307.13998	4.1
341.47000	0.5
385.11432	100.0
386.11700	6.2
472.14685	4.4
490.21307	0.5
493.59137	0.5
778.49628	0.4
823.23553	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	859.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96078	0.1
65.01316	0.2
75.03766	0.2
78.36567	0.2
78.95908	50.2
96.96964	5.7
97.48419	0.2
110.98514	1.1
144.35590	0.2
150.98038	1.4
152.99586	100.0
153.99919	0.2
167.01108	0.4
171.00609	3.0
178.61922	0.2
255.23309	16.1
256.23599	0.4
281.24860	4.5
282.25055	0.2
395.31305	0.2
409.23599	3.4
423.25183	5.2
435.25171	28.9
436.25464	1.8
449.26547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63817	0.5
71.01389	0.9
76.64609	0.7
96.96020	1.1
101.02448	1.7
116.05054	5.3
119.05034	0.9
125.02469	1.2
128.05032	5.8
131.03737	10.3
132.04523	3.5
144.04553	32.3
146.06122	100.0
147.06456	1.5
158.06073	1.0
160.04012	4.0
162.05615	14.4
170.06131	2.8
172.04048	16.4
172.05443	0.8
188.03477	4.9
190.05112	64.6
191.05486	0.8
206.04623	4.0
212.07222	1.5
232.06174	6.0
256.06152	1.2
262.07239	3.7
274.07376	1.0
292.08298	5.8
334.09488	1.5
352.10269	1.5
353.56339	0.7
394.11414	4.7
418.11725	0.8
436.12610	1.2
442.78183	0.8
478.13544	1.3
507.40128	0.7
585.11914	0.9
609.17413	0.9
625.25323	0.7
651.18005	0.9
669.19507	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	861.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42069	0.1
68.99813	0.2
69.03449	0.2
71.01385	0.6
73.02929	0.7
73.38753	0.1
77.03110	0.1
82.77477	0.2
83.01402	0.1
87.00867	0.3
87.49300	0.1
97.02967	0.3
101.02434	0.6
104.02670	0.3
113.02439	0.3
117.03446	0.7
119.05045	0.2
121.02949	0.2
125.02438	0.7
132.02167	28.6
133.02998	1.9
134.03740	13.4
135.04512	0.3
137.02451	0.3
139.04047	0.2
147.04512	0.2
149.06094	1.9
159.04675	0.1
160.01660	100.0
161.02412	4.3
175.04005	76.2
176.04338	1.2
178.02747	1.5
179.03542	0.7
188.04742	0.2
193.05064	9.7
217.05345	0.2
235.25728	0.1
247.06264	0.3
265.07245	0.6
307.04886	0.2
307.08353	0.3
319.08029	0.7
337.09482	0.3
361.09454	0.8
379.10464	0.3
541.15503	0.2
555.16089	0.5
569.23145	0.2
583.16925	0.6
601.18011	0.8
625.18274	1.2
643.18585	1.7
667.19019	1.2
685.19836	1.4
759.21417	0.7
777.22632	0.6
801.22528	4.5
802.22839	0.3
819.23706	3.9
820.24353	0.3
861.24683	14.2
862.25293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18707	0.9
61.98829	5.1
75.87910	1.0
78.95894	1.3
101.09605	0.9
101.85223	0.8
132.02151	28.1
134.03722	14.1
160.01654	100.0
161.02400	3.9
175.03990	82.1
178.02734	1.1
193.05072	11.4
194.87195	0.9
255.11147	1.1
272.95828	1.5
291.56158	1.1
342.87286	1.0
447.13333	4.5
625.18109	1.4
756.34198	1.1
759.21674	1.5
801.22437	1.3
819.23529	4.1
861.24768	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	861.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25327	0.1
71.01385	0.5
73.02933	0.8
83.01361	0.2
87.00867	0.2
90.37111	0.1
97.02912	0.2
99.70563	0.1
101.02428	0.2
104.02696	0.3
113.02456	0.3
117.03457	0.7
119.05027	0.2
121.02922	0.1
125.02420	0.5
132.02165	29.4
133.03020	2.1
134.03731	11.6
134.04773	0.3
135.04480	0.7
137.02443	0.3
140.04906	0.1
147.04591	0.4
149.06065	2.0
157.20665	0.1
160.01657	100.0
161.02385	4.3
167.94652	0.1
173.06067	0.1
175.03998	80.2
176.04349	2.0
178.02686	1.6
179.03543	0.5
184.61632	0.1
189.07446	0.1
191.07043	0.2
193.05051	10.6
199.69707	0.1
208.51323	0.1
210.17703	0.1
217.04932	0.2
235.06169	0.3
265.07202	0.7
307.08374	0.2
319.08035	0.5
337.09290	0.3
361.09464	0.7
379.10330	0.3
541.15845	0.2
555.15210	0.6
559.16711	0.2
579.03015	0.1
583.16675	0.2
601.18066	0.8
611.51733	0.1
625.17816	1.3
643.19000	2.0
667.18762	1.2
685.19739	1.6
759.21667	0.8
777.22833	0.7
801.22546	3.9
802.23749	0.2
819.23676	3.5
820.24042	0.2
861.24695	11.7
862.25330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54755	0.9
61.98826	0.9
69.03468	0.8
69.54726	0.9
71.01382	6.9
73.02939	0.8
74.92490	0.9
83.01382	1.8
85.02943	5.0
87.00856	1.9
89.02412	6.4
91.01857	1.0
95.01375	1.0
97.02944	2.1
99.04449	1.0
99.77924	0.9
101.02423	6.6
113.02431	5.9
119.01344	1.2
119.03457	1.5
119.05001	4.1
121.02940	4.2
125.02415	13.1
130.06610	10.4
134.03734	4.4
135.04524	1.5
146.06110	13.5
147.00908	1.0
147.04544	1.4
149.02432	22.5
149.06058	1.2
156.04506	4.2
161.04553	5.0
162.05597	1.0
164.04770	25.4
174.05617	5.8
175.00323	19.6
177.05540	1.3
179.05583	5.3
179.07137	4.9
190.02713	70.5
191.03455	7.4
193.01335	1.9
203.07198	1.3
203.42430	1.0
205.05063	100.0
206.05873	10.4
207.03015	1.3
208.03763	6.3
209.04475	1.1
221.08252	12.4
223.06123	48.8
237.07675	4.5
247.05881	1.0
250.04709	2.2
265.04312	1.2
265.07175	33.0
267.06598	1.4
277.42014	0.9
282.08966	1.4
293.99484	0.9
295.08212	4.6
297.11127	1.2
323.09650	1.4
325.09286	7.0
340.76651	1.1
341.10880	1.1
367.10129	1.2
379.11789	1.1
480.15063	1.3
498.16309	1.0
529.15613	24.4
547.16638	22.2
607.63806	1.0
640.53918	1.1
686.20941	8.5
704.22125	28.4
861.26001	13.7
866.16882	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52618	0.2
65.88425	0.3
71.01369	0.7
75.43928	0.3
78.95894	0.3
85.02956	0.3
89.02443	0.5
101.02406	0.3
104.60005	0.3
110.98534	0.5
113.02462	0.4
118.38155	0.3
119.05006	0.7
120.04525	0.5
132.02122	0.3
132.04536	1.6
134.02460	0.3
134.06145	0.6
141.09161	0.3
144.04544	5.6
146.06087	0.6
147.03281	3.6
148.04073	2.4
153.01953	0.4
158.06097	0.7
159.03284	0.7
160.04033	24.9
161.04803	2.1
161.08269	0.3
162.05608	100.0
163.05920	1.9
174.05579	2.4
175.02707	0.5
176.03586	0.7
176.07176	0.5
178.05089	1.4
184.04112	0.4
185.02214	0.5
186.05650	2.5
187.02759	1.1
188.03537	38.8
189.03876	1.2
190.05077	1.2
202.05090	2.2
204.03033	0.4
204.06677	5.1
206.04601	72.9
207.04951	1.4
228.06602	1.1
230.04576	6.3
239.75916	0.3
248.05658	20.5
249.06114	0.4
278.06592	1.3
290.06781	3.3
308.07904	1.8
350.08859	1.6
353.24210	0.3
405.25110	0.4
410.10791	1.4
512.17682	4.1
557.14337	1.8
579.45721	0.4
583.21240	0.3
863.27380	34.2
864.27838	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	863.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48316	0.4
61.98829	0.7
67.10025	0.4
68.76102	0.5
71.01367	1.9
72.67157	0.4
79.29160	0.4
87.00864	0.8
89.02431	0.6
96.30934	0.5
101.02416	1.6
101.35046	0.4
113.02419	1.0
118.45827	0.5
119.05003	2.0
120.04488	1.7
131.03532	0.4
132.04544	2.3
134.03726	0.6
134.06042	0.8
144.04556	7.0
145.02921	0.6
146.06088	0.8
147.03239	3.5
148.04005	2.3
149.06046	0.4
158.06012	0.4
159.56671	0.4
160.04036	23.2
161.04626	0.9
161.08199	0.4
162.05603	100.0
163.04170	0.4
163.05881	3.6
174.05629	1.8
176.03641	0.5
178.05061	2.5
186.05545	3.0
187.02716	0.6
188.03534	45.0
189.03883	0.7
190.02734	1.7
190.05092	1.9
202.05157	2.4
204.03040	0.7
204.06702	3.7
205.05141	2.0
206.04593	72.7
207.04910	2.5
227.79228	0.5
228.06772	0.6
230.04562	5.7
248.05650	19.4
278.06717	0.7
290.06784	3.0
308.07669	1.7
325.73251	0.5
350.08737	1.7
410.10867	0.7
512.17480	2.3
557.14050	0.9
863.27319	33.4
864.27661	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	863.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70461	1.6
77.57380	1.7
109.02977	2.5
132.02194	3.3
133.02950	100.0
134.03740	73.3
135.04523	28.3
145.02997	2.0
147.04512	2.7
149.06082	43.9
159.04503	2.6
162.05588	3.2
188.03537	3.3
190.05014	3.4
206.04483	2.8
231.11316	2.4
247.10968	15.1
262.45050	1.9
267.06702	2.0
268.07507	6.0
273.08765	9.9
274.09595	19.9
283.09729	9.8
289.11948	24.0
299.10297	2.9
423.15659	55.3
439.18732	40.3
453.82727	1.8
534.93256	1.7
863.34387	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	865.365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	1.9
63.31388	1.3
69.54613	1.2
71.01382	1.7
91.01933	1.9
92.11768	1.5
108.02225	1.6
117.03477	1.6
119.05019	100.0
121.02938	2.3
122.02467	5.0
132.04623	1.6
133.02974	2.3
134.03738	75.3
135.04549	17.6
136.01660	49.1
136.14674	1.5
144.04568	8.8
145.02954	5.3
146.06146	19.0
147.06413	2.4
148.05298	2.1
149.02460	2.9
149.06084	38.9
150.03224	10.0
151.04012	17.0
160.01677	2.8
160.04027	6.4
161.02432	2.3
162.01962	1.7
162.05623	23.0
163.04027	2.0
164.04793	3.2
165.05566	3.4
172.04080	1.8
175.00357	3.3
175.04021	7.6
187.50217	1.6
188.03568	6.6
189.04027	1.7
190.02745	19.4
190.05133	10.1
191.03496	5.7
204.06778	1.5
205.05028	22.1
206.04611	8.2
208.77377	1.5
216.10353	2.8
223.06297	3.9
259.10904	15.5
273.08942	3.0
274.09656	16.1
289.12009	13.6
409.17661	2.1
425.16827	1.6
439.18646	2.8
455.18213	1.8
456.18512	1.6
563.25330	14.9
577.56311	1.5
593.26300	15.1
697.29333	1.9
703.33240	18.4
713.32068	31.6
715.29608	1.7
727.29199	1.9
796.32117	1.7
847.35211	6.1
865.37152	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99091	0.2
77.00665	3.6
78.95897	3.3
92.12379	0.3
93.88018	0.2
105.03471	0.2
110.98514	3.5
134.00710	0.2
152.99614	0.4
167.01195	1.5
174.42540	0.2
185.02190	2.8
255.23462	0.2
281.24878	100.0
282.25244	5.4
309.22324	0.2
337.21793	6.2
338.22226	0.4
408.65533	0.2
415.23102	1.9
418.53790	0.2
423.25436	0.2
449.26776	32.8
450.27109	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	868.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98598	0.3
61.98832	5.8
71.01377	0.8
82.07740	0.4
84.80513	0.4
108.54646	0.4
113.02394	0.4
117.03431	0.7
132.02171	3.2
133.02937	39.7
134.03734	5.7
135.04520	4.8
137.02431	0.5
149.06168	1.4
160.01688	4.1
160.03998	0.9
161.02432	100.0
162.02782	1.0
162.05594	4.4
175.03970	6.7
178.02774	0.5
179.03513	3.1
182.94112	0.4
188.03487	0.8
190.05141	0.5
193.05043	4.8
206.04576	0.9
248.05626	0.4
601.18292	0.5
629.17590	1.0
763.21326	2.4
805.22034	28.5
806.23010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.0
69.99078	1.0
75.50069	1.1
76.91075	1.0
95.01370	1.1
107.04970	1.1
108.02171	2.3
109.02962	2.2
119.05031	1.3
121.02933	4.5
122.03734	1.7
133.02956	4.8
134.03738	54.9
135.04553	9.4
136.01656	82.1
137.02446	13.0
138.03334	1.2
144.26251	1.1
146.06116	1.6
147.04494	4.8
148.05322	4.9
149.02473	11.5
149.06087	36.2
150.03227	39.8
151.00381	2.6
151.04010	61.7
151.05232	2.1
159.04544	1.5
161.02428	5.9
161.06070	2.3
162.03230	2.0
162.05568	2.7
164.04843	1.6
165.05600	15.8
166.02713	7.0
167.03383	1.1
175.04019	6.4
176.03532	1.7
176.04849	1.7
177.05571	2.0
181.05081	6.9
187.04021	2.8
190.05089	5.8
191.03490	2.2
198.02991	1.3
202.06445	1.8
204.06686	8.1
205.05106	13.2
220.07436	6.2
229.09738	1.4
230.08194	7.6
231.09006	7.3
248.11646	1.7
273.08850	23.7
274.09619	75.8
275.10068	2.5
289.11963	100.0
290.12213	2.5
297.11322	4.5
305.11487	2.3
387.10947	1.3
396.56787	1.2
437.17001	1.8
438.18033	5.5
439.18610	2.0
455.18213	5.0
455.96948	1.5
535.15491	1.7
539.20569	1.2
565.20697	11.7
571.22504	2.0
659.26727	1.4
663.29541	2.0
691.28680	6.0
721.29828	18.5
855.33466	2.8
873.34534	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	873.526
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	13.5
82.48936	0.2
87.46590	0.2
96.96976	0.3
102.77174	0.2
104.97472	0.4
105.67883	0.2
110.98524	11.1
113.10676	0.2
146.61215	0.2
152.99577	4.6
153.99985	0.4
154.34761	0.2
167.01131	8.0
185.02194	4.3
255.23302	70.5
256.23654	2.0
275.86163	0.2
281.24857	100.0
282.25208	2.4
290.45615	0.2
311.45303	0.2
423.25208	29.7
424.25635	0.4
435.25262	0.5
436.25543	0.4
437.25793	0.3
449.26776	28.7
450.27209	1.1
468.03473	0.2
621.02362	0.2
867.16522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
82.95451	0.3
88.81547	0.3
117.03519	1.4
119.05021	27.2
121.02966	0.7
123.12370	0.4
132.02136	0.3
133.03000	0.3
134.03728	10.2
135.04587	2.5
145.02925	4.4
149.02374	0.3
149.06088	7.7
160.01720	0.6
162.03319	0.4
162.05646	1.3
163.04005	15.0
165.48802	0.3
175.03999	0.7
177.01996	0.3
190.05179	0.7
192.04271	0.4
273.08963	1.2
274.09570	5.0
289.11993	4.6
290.12506	0.5
328.42661	0.3
371.11569	0.6
439.18564	2.4
455.30670	0.3
614.25342	0.3
661.24176	3.0
665.27283	0.7
811.30951	27.6
812.30695	2.7
891.92999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.247
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29188	0.3
64.38489	0.4
69.92320	0.3
71.01369	2.1
72.99300	0.7
85.02974	0.8
89.02435	0.6
90.28618	0.3
93.03448	63.1
96.96007	0.7
99.00853	2.3
101.02444	0.5
108.02169	11.9
113.02448	0.7
118.03156	0.3
123.04505	7.1
137.02438	100.0
138.02782	0.9
144.88039	0.4
152.01160	22.1
155.35005	0.4
156.22729	0.4
161.20833	0.4
162.05605	0.8
167.03490	38.1
179.03482	0.5
214.62694	0.4
222.74553	0.4
431.11960	7.9
443.11920	1.9
499.51813	0.4
558.14832	0.5
875.24707	27.9
876.25061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.8
62.74149	1.3
71.01369	6.1
83.56716	1.3
85.02930	1.5
85.21539	1.4
85.22040	1.2
91.01919	1.6
94.88497	1.4
96.96006	2.7
100.24141	1.4
101.02418	6.4
102.18050	1.5
104.20068	1.3
113.02434	2.5
114.84689	1.4
116.73971	1.4
119.01374	2.8
119.05016	2.0
121.02924	2.8
121.62752	1.4
123.00842	10.4
124.01625	6.9
132.02159	9.1
133.02913	2.5
134.03738	19.0
135.04552	3.0
137.02435	2.9
137.99594	2.0
138.03221	6.6
139.00359	9.9
139.03996	2.4
144.04533	3.4
146.06105	3.0
147.00887	2.7
147.04509	2.0
149.02419	17.9
149.06149	1.8
150.03242	1.7
151.04002	2.9
153.01936	33.7
154.02693	9.5
160.01660	45.3
160.04019	9.6
161.02464	9.9
161.04501	1.8
162.05620	27.2
163.04018	3.5
164.04797	19.5
165.01820	2.2
167.03595	1.9
168.04308	13.4
169.05083	3.0
175.00394	30.1
175.03995	52.9
176.01123	7.1
179.07082	2.5
188.03537	9.8
190.02721	97.4
191.03432	14.0
193.05103	13.0
203.86694	1.4
204.06584	1.5
205.05064	100.0
206.04494	13.6
208.03781	2.0
209.04581	3.0
223.06139	14.8
248.05730	2.2
257.37244	1.7
337.09271	16.1
367.10321	28.3
372.45724	1.6
507.15146	50.0
537.16290	22.2
639.88000	1.8
669.20160	8.2
875.26294	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	876.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	2.3
87.00888	1.1
90.99693	0.5
97.02937	0.6
101.02447	1.0
113.02435	0.9
116.05045	2.7
118.02971	0.8
119.05006	2.2
120.04535	0.6
125.02464	1.0
128.05058	1.2
131.03719	4.4
132.04547	3.5
134.03732	2.7
134.06149	1.0
144.04547	20.2
145.02951	0.6
146.06123	45.5
147.03288	3.8
147.04286	0.5
148.04062	1.2
149.06099	1.2
158.06087	2.6
159.03267	2.1
160.04036	31.5
161.04727	4.8
162.05605	100.0
163.05943	2.7
172.04025	7.5
174.05602	3.1
175.04063	0.9
176.03604	0.9
178.05049	2.6
186.05646	3.6
187.02710	2.5
188.03529	35.7
190.05104	22.2
198.05699	0.7
202.05132	3.4
204.02989	1.2
204.06619	5.4
206.04596	52.6
207.04997	0.7
208.84789	0.6
227.04025	0.6
228.06688	1.0
230.04602	8.4
232.06142	1.3
247.05026	0.8
248.05649	15.6
267.06439	0.8
289.29416	0.5
290.06763	3.0
308.07782	3.4
334.09308	1.2
350.08789	11.7
368.09796	0.9
394.11304	0.8
494.12888	0.9
499.63516	0.6
512.13995	1.0
523.13440	0.7
541.14612	10.1
574.21277	0.7
583.15894	2.5
625.16620	1.0
643.17987	0.7
667.18359	1.2
685.18945	16.5
714.19904	0.6
876.37323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
91.01884	0.8
92.11710	0.9
106.04241	0.3
107.05056	0.3
108.02184	3.4
109.02940	1.0
117.03471	0.2
121.02995	0.2
123.04507	2.3
130.04262	1.1
132.02153	1.4
133.02925	1.5
134.03734	100.0
135.04532	25.2
136.04909	0.3
144.04579	0.2
145.02994	0.2
146.06116	0.3
148.05327	1.0
149.06082	40.2
150.03291	0.2
150.06470	0.8
158.03716	3.8
159.04512	4.5
160.01657	5.1
160.04002	0.3
161.02463	1.1
161.06107	1.3
162.05589	1.0
166.02042	0.2
173.06073	4.3
175.04007	5.7
176.03558	0.3
186.09267	0.2
190.05154	1.0
194.02110	0.2
204.06645	1.6
206.04613	0.3
209.06075	0.2
211.07637	0.4
214.05135	0.8
221.05968	0.3
224.04768	0.3
227.09569	0.4
228.06676	0.4
230.08162	0.7
231.08943	1.3
237.05534	1.0
238.06361	3.0
239.07155	1.4
247.03902	0.2
247.10764	2.1
248.11584	1.8
249.05573	1.1
249.12431	2.1
250.06403	0.2
251.03877	0.2
251.07018	0.3
252.07924	0.4
253.08707	0.9
255.09158	0.9
256.09824	0.5
263.14056	2.3
265.05048	5.6
266.05826	7.6
267.06622	8.8
268.07407	1.0
269.04544	0.3
270.09933	1.7
271.10938	0.4
272.11539	0.3
273.08835	2.7
273.11703	0.3
274.09604	8.7
275.10358	2.2
280.07455	2.7
281.08203	16.7
282.09012	7.7
283.06436	0.5
283.09763	3.3
287.14075	0.3
289.08707	0.3
289.11975	7.5
290.12399	0.2
293.04532	0.8
295.09671	2.3
297.11301	1.7
298.09528	2.6
299.10361	3.1
313.12045	3.8
320.05554	0.3
322.07245	0.3
334.10867	0.4
345.02011	0.2
350.10291	0.9
362.10242	0.2
364.11963	1.0
376.11288	0.2
377.11896	2.3
378.12698	0.9
379.14215	4.9
381.14822	0.3
391.12900	0.2
392.15067	1.4
393.14581	0.3
393.63562	0.2
394.16449	2.1
395.16498	0.4
396.16754	2.2
397.17731	0.2
405.10983	1.1
406.11694	1.3
407.12405	2.0
411.19424	1.8
419.12485	0.4
420.13187	1.9
421.13965	3.0
422.14865	18.5
423.15387	1.0
435.15573	2.9
436.16248	0.3
437.17224	17.2
438.17770	0.4
449.17340	0.8
451.18851	0.4
452.85898	0.2
463.15042	0.4
475.15427	0.4
489.16901	0.4
515.90375	0.2
551.25427	0.4
555.17413	0.2
562.20300	0.3
570.20398	0.5
571.21021	1.1
577.23132	8.1
578.23737	0.4
585.22583	2.1
587.24091	11.0
587.33423	0.4
588.24213	0.8
591.24969	0.5
597.19049	0.4
613.21997	4.5
614.22266	0.2
642.20062	0.3
701.32336	1.7
727.29968	29.1
728.30438	2.8
741.32025	1.5
877.36761	45.6
878.37140	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	877.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04891	0.5
81.90353	0.4
93.03426	0.9
107.04989	0.6
108.02170	0.7
109.02944	0.6
109.76762	0.5
119.01405	0.5
119.05022	2.0
121.02950	4.0
132.02179	0.5
133.02942	3.6
134.03729	90.3
135.04526	37.3
135.05568	1.1
146.06081	0.7
147.04536	1.2
148.05330	2.8
149.04860	1.2
149.06073	36.4
158.03752	0.5
158.93723	0.6
159.04510	2.0
160.01663	5.6
161.02417	3.0
161.06046	0.9
162.05641	0.7
175.03998	5.0
176.03542	2.1
185.06200	0.6
186.09334	0.6
189.05467	0.7
190.05127	2.9
195.08171	1.8
196.05254	0.6
196.46317	0.6
204.06648	3.1
209.06157	0.6
211.04109	0.8
211.07649	4.7
218.08234	0.8
220.05408	0.8
221.06056	4.2
222.06857	0.8
223.04123	0.8
223.07796	3.8
223.09590	0.5
224.04817	2.0
225.05415	0.7
230.08209	3.0
231.09030	2.4
232.09755	1.0
237.05576	5.6
238.06374	2.3
239.07138	16.4
247.10889	4.8
248.04762	0.9
248.11586	2.4
249.05589	7.6
250.06329	2.5
251.03560	3.7
251.07111	1.0
253.08679	1.8
263.07297	0.5
263.14163	0.9
265.05096	6.2
265.08453	0.7
266.05765	4.1
267.06631	100.0
268.07318	8.4
273.08871	8.9
274.09607	36.8
275.10208	0.8
276.04187	0.6
279.06516	0.8
280.07388	2.0
281.08270	4.1
282.08984	84.2
283.09689	9.8
289.11963	32.9
290.12308	0.6
293.04593	3.8
293.07669	0.6
294.05145	1.1
296.10529	0.9
297.11331	75.3
298.11609	2.0
307.06039	0.7
308.06924	4.7
309.07742	0.5
322.08011	0.6
323.09348	5.6
336.12473	0.6
353.15204	0.8
358.78131	0.6
364.11987	2.5
378.09589	0.6
379.13324	4.0
380.13632	0.6
381.14658	5.3
386.98901	0.5
394.16370	2.8
395.16232	0.7
396.16550	3.4
397.17908	0.6
405.11169	0.7
406.11874	1.0
407.12527	15.3
408.12262	0.7
411.19113	6.0
421.14023	4.8
422.14825	15.4
423.15298	0.9
432.94653	0.6
437.17178	16.1
448.12869	2.6
463.15073	2.3
557.19019	3.6
572.21741	2.7
577.22974	1.1
587.24036	56.3
588.24622	2.5
613.22046	36.1
614.22314	2.3
701.31921	4.1
721.98718	0.5
724.29089	0.6
727.30023	16.0
877.36731	90.2
878.36688	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	877.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	1.3
78.71297	1.1
96.95963	1.7
119.05012	4.2
129.12390	1.0
133.02901	2.2
134.03738	46.5
135.04520	29.1
136.01630	10.7
144.04530	2.1
145.02950	2.2
146.03725	10.2
146.06081	4.2
147.04524	2.3
148.05276	2.1
149.06062	21.2
151.04004	6.0
159.34900	1.2
160.04089	1.5
161.06076	1.5
162.05632	7.2
167.08612	1.1
170.25522	1.1
175.03996	1.5
180.14110	1.0
188.03505	1.7
189.05603	1.6
190.02745	2.0
190.05125	4.9
205.05025	2.3
206.04642	1.6
211.07721	1.7
217.01424	1.9
218.02251	9.8
228.88747	1.0
233.04521	16.6
237.05609	1.3
247.10744	2.5
258.14981	1.1
261.12531	1.2
265.05167	2.1
265.08798	1.4
266.05682	1.8
267.06616	7.2
268.07300	2.1
274.09738	1.7
275.10190	1.4
281.08328	8.1
282.09030	17.1
283.09723	6.2
296.10291	1.6
297.11337	19.9
307.10425	1.2
309.11273	2.7
310.64685	1.2
324.08914	1.5
336.08594	1.2
338.10278	1.8
352.11871	4.7
381.14560	2.2
395.16040	8.7
396.16928	4.4
397.17532	2.1
409.17502	1.2
411.19275	17.4
421.13940	4.6
422.14664	2.7
437.17239	5.0
535.22333	1.3
551.25122	1.6
571.21466	2.3
587.24066	28.5
588.24060	1.8
701.32153	2.3
705.75684	1.5
771.18701	1.2
867.97021	1.2
877.36713	100.0
878.37012	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	881.248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29193	0.4
71.01381	2.1
74.96291	0.4
87.00867	0.8
91.01848	0.6
93.03478	0.6
96.95987	2.1
101.02412	1.1
113.02451	0.8
119.04993	2.1
120.04543	0.7
132.04526	2.3
134.06097	1.0
136.63455	0.5
137.02446	0.8
144.04539	6.3
145.72290	0.4
146.06125	0.6
147.03261	3.0
148.04086	0.9
159.03288	0.6
160.04042	27.1
161.04779	4.4
162.02042	3.5
162.05603	100.0
163.05966	2.6
164.07178	0.6
174.05618	1.8
176.03548	0.9
176.07166	0.6
178.05084	1.9
186.05548	4.3
187.02756	0.9
188.03537	39.0
190.05186	0.5
199.48500	0.5
202.05115	3.9
204.06601	5.2
206.04601	61.7
207.05002	1.0
228.06709	0.6
230.04619	6.0
248.05656	15.2
290.06741	4.9
308.07599	0.7
350.08707	4.0
410.10718	0.9
501.49252	0.6
530.15240	4.7
557.14185	20.7
596.40796	0.6
599.15039	3.1
629.16504	0.7
659.17340	1.9
696.99109	0.5
719.19476	2.8
761.20770	0.9
773.11993	0.5
881.24707	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	881.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86190	0.1
69.74444	0.1
78.95907	47.2
83.33928	0.1
85.09307	0.1
87.61864	0.1
96.96961	5.9
110.98511	0.8
134.26184	0.1
137.84018	0.1
142.66695	0.1
150.98001	1.9
152.99583	100.0
153.99933	0.8
167.01105	0.1
171.00630	3.2
173.86964	0.1
182.15761	0.1
185.02153	0.5
192.49731	0.1
223.73535	0.1
248.50522	0.1
279.23291	19.4
280.23581	0.9
433.23602	30.0
434.23892	2.0
447.25146	5.9
448.25797	0.2
513.92395	0.1
542.55536	0.1
626.35071	0.1
745.15698	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96425	0.1
70.98294	0.1
74.32166	0.1
78.86303	0.1
78.95908	61.9
80.35232	0.1
80.56430	0.1
92.12363	0.1
96.96330	0.2
96.96958	5.5
110.98521	0.8
150.98027	2.2
152.99585	100.0
153.99887	0.2
157.06982	0.1
167.01091	0.4
167.34218	0.1
171.00624	2.9
185.02182	0.6
188.90463	0.1
224.77985	0.1
279.23285	21.7
280.23657	0.8
433.23611	40.0
434.23975	2.3
447.25201	7.3
447.30911	0.2
448.25665	0.6
502.42090	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	882.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53561	0.3
61.98836	100.0
73.99169	0.3
83.09894	0.3
129.45105	0.3
132.02165	3.3
134.03749	2.5
160.01660	12.6
160.04016	0.5
161.02483	0.7
162.05640	0.6
175.04008	13.3
188.03563	0.5
193.05173	1.6
299.01587	0.4
301.79639	0.4
613.22327	0.5
614.22784	0.6
663.13336	0.4
759.20215	0.4
819.23816	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	882.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
67.30019	0.2
68.43258	0.2
70.22247	0.2
71.01380	0.2
73.02950	0.2
85.92677	0.2
88.87621	0.2
96.05615	0.2
102.34066	0.2
132.02151	2.1
133.02963	1.4
134.03729	2.1
135.04500	0.4
146.06184	0.2
149.06070	0.3
160.01651	11.7
161.02455	3.7
162.05562	0.4
175.03989	12.3
176.04402	0.3
178.02748	0.4
179.03531	0.5
193.05026	1.5
289.83694	0.2
341.00909	0.2
523.81586	0.2
601.18127	0.2
643.19116	0.4
759.21124	0.3
785.85858	0.3
819.23700	3.1
820.24164	0.3
847.23077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64017	0.4
61.98844	100.0
64.33021	0.5
113.47049	0.5
119.05067	2.6
124.02578	0.4
134.03752	0.7
135.04613	0.6
145.02983	0.6
146.06204	0.8
160.04140	1.8
162.05617	6.5
188.03633	1.1
206.04681	2.9
258.34286	0.5
415.81512	0.5
509.11664	0.5
637.43695	0.5
809.72754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70806	0.7
63.19058	0.8
71.01371	2.1
72.53421	0.8
83.01427	0.8
85.02950	0.9
85.13039	0.9
90.86770	0.7
93.06625	0.8
101.02444	1.6
113.02440	1.8
125.02430	4.3
132.02176	20.5
133.02966	8.8
134.03738	29.4
134.04755	1.0
135.04547	1.9
137.02437	1.9
149.02480	1.0
149.06085	9.9
160.01665	92.1
161.02470	7.5
163.40727	0.8
174.03198	1.0
175.04012	100.0
176.04468	1.0
178.02754	8.1
179.03477	4.1
185.16031	0.9
189.05516	3.2
191.07169	3.4
192.04167	1.1
193.05075	45.6
200.00906	9.8
215.03291	15.1
217.04977	1.0
233.04314	1.7
235.06187	4.5
251.05487	1.0
255.06284	1.1
257.04425	6.0
265.07184	12.9
287.05554	1.6
289.12210	0.9
319.08411	1.9
329.06439	1.1
337.09280	3.6
359.07599	3.5
440.89639	1.1
481.14072	0.9
499.14462	4.1
520.09625	1.1
535.12170	1.0
539.13599	7.0
581.14520	1.8
583.17267	1.0
623.16003	4.7
763.22662	1.0
781.19391	1.9
799.20593	8.0
823.20435	3.4
841.22064	17.4
883.22644	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	883.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34655	0.9
71.01372	3.7
77.06912	1.0
82.32245	0.9
83.10549	1.0
85.02924	1.4
87.00861	1.3
93.03416	1.2
96.96011	1.3
113.02449	1.2
116.05023	1.4
119.05016	2.0
121.02956	1.1
125.02451	1.7
128.05049	2.1
131.03662	2.2
132.04529	4.6
134.02470	0.9
134.06078	1.8
135.31831	1.0
137.02457	1.8
143.03564	1.0
144.04541	21.0
145.02945	1.1
146.05040	1.9
146.06100	30.7
147.03268	4.3
148.04039	2.4
153.05539	1.2
158.06052	1.4
160.01808	1.1
160.04030	31.3
161.04788	4.5
162.05597	100.0
163.05951	1.7
172.04079	9.3
174.05544	3.8
175.04008	1.4
178.05255	1.1
186.05595	1.7
187.02737	2.4
188.03531	36.4
189.03766	1.1
190.05115	17.4
197.04614	2.1
202.05125	1.9
204.06693	2.3
206.04585	56.5
214.05139	1.3
214.22156	1.1
226.05190	1.2
230.04582	7.4
232.06114	1.2
248.05661	11.9
278.06607	1.4
290.06662	2.0
308.07809	4.1
326.62735	1.1
350.08719	1.8
378.70459	1.0
394.11148	4.4
434.11157	1.0
667.17627	3.8
685.18964	26.5
764.88611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41849	1.1
71.01379	6.0
72.99302	7.9
73.02934	1.8
74.70850	1.1
77.80500	1.2
89.02434	1.8
93.03438	9.7
101.02429	2.5
121.01670	1.3
122.02471	7.3
125.02415	5.4
132.04547	6.0
137.02467	18.0
138.05617	5.2
144.04564	10.8
148.04094	2.4
149.01186	63.9
160.04028	37.6
161.04808	1.4
162.01941	2.1
162.05606	100.0
163.06013	1.6
164.03510	20.6
178.05086	3.0
186.05560	2.5
187.02740	5.9
188.03529	82.5
189.03967	1.6
190.05078	2.0
192.03029	2.0
194.04526	1.3
204.03046	2.1
204.06721	5.5
206.04608	85.1
208.74988	1.4
230.04659	9.9
248.05656	27.4
278.06638	2.3
302.09241	1.4
308.07864	11.9
350.08932	2.4
368.09851	11.1
410.11057	28.7
440.12030	2.7
440.64563	1.3
452.11649	1.9
470.13196	7.6
491.26862	2.1
512.14178	17.3
530.14984	5.2
557.14014	1.5
572.16321	10.5
674.19019	1.7
723.19189	13.0
771.35870	1.6
849.59387	1.4
885.24084	6.0
915.54504	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	885.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90345	0.1
62.96487	0.1
63.74374	0.1
78.95912	54.6
80.01029	0.1
85.36873	0.1
92.11678	0.2
96.96967	6.1
110.98548	0.7
118.73521	0.1
122.47152	0.1
126.23842	0.1
130.67770	0.1
150.98003	1.9
150.98862	0.1
152.99594	100.0
153.34651	0.1
153.99951	0.8
171.00648	3.0
185.02217	0.6
242.74730	0.1
253.47014	0.1
281.24878	23.3
282.25220	0.8
435.25211	36.0
436.25516	1.4
449.26743	7.0
450.26865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.247
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	0.6
72.99313	2.2
80.37691	0.3
85.02950	1.1
92.12355	0.7
93.03446	68.7
94.03767	0.5
96.96047	0.4
99.00900	0.4
101.02399	0.4
101.06082	1.8
112.15339	0.3
113.02434	1.2
124.55272	0.3
137.02434	100.0
138.02751	1.2
151.49619	0.3
179.03523	0.7
260.06354	0.3
281.06821	0.4
292.64352	0.3
351.13004	1.2
413.10895	4.9
551.14752	0.4
690.77631	0.4
827.22583	18.6
828.22559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84408	0.1
76.22696	0.1
91.05520	0.1
92.12344	0.2
93.03460	0.6
94.22535	0.1
113.10819	0.1
117.02659	0.2
117.03468	3.1
119.05020	100.0
120.05350	1.9
132.05809	0.6
134.03683	0.1
145.02960	19.2
146.03316	0.4
147.04550	0.2
159.08156	0.4
160.04071	0.1
162.05688	0.6
163.04015	0.1
166.18919	0.1
174.05685	0.1
188.07175	0.3
202.08649	0.1
233.13055	0.4
248.17682	0.8
273.16098	2.2
276.07254	0.1
285.30115	0.1
290.18774	20.8
291.19174	0.8
313.28555	0.1
316.16699	21.4
317.16962	1.0
329.87915	0.1
399.14542	0.1
402.31448	0.1
436.22473	60.0
437.17010	0.2
437.22754	3.8
456.47214	0.1
498.37399	0.1
582.44257	0.1
651.89026	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	889.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	14.3
65.80735	2.7
69.09775	2.4
71.01395	3.0
72.59801	2.7
76.57919	2.7
95.01373	6.8
108.02148	13.3
119.09316	2.5
121.02950	5.9
122.30921	3.3
123.00849	13.2
124.01673	3.8
134.03745	68.3
135.04533	17.2
136.01659	81.0
137.02473	6.0
138.03207	5.5
139.00349	6.8
139.04028	3.8
144.04536	4.5
146.06114	12.3
147.04454	10.3
149.02434	12.2
149.06070	42.1
150.03227	69.3
151.00359	24.7
151.03998	46.1
153.01956	11.7
159.04494	4.6
160.01596	3.8
160.04051	4.9
161.06050	4.5
162.03275	3.3
162.05576	19.3
163.04050	2.8
163.79065	3.1
165.05568	26.5
166.02724	47.5
175.04018	23.5
177.05536	4.7
181.05072	39.8
188.03551	3.8
190.02736	2.8
190.05083	13.5
191.03523	16.5
192.04280	15.0
193.05069	5.9
203.03548	44.9
205.05054	5.6
206.04584	5.4
207.06680	4.6
218.05843	29.1
219.06583	3.4
220.03941	3.4
221.04602	6.3
223.06212	3.5
225.10957	2.7
230.08258	3.2
231.09068	6.9
233.08162	12.1
235.06070	6.4
236.06943	17.4
249.07590	4.7
251.09276	11.4
273.08817	22.0
274.09616	69.3
275.10132	3.2
289.08957	3.1
289.11954	87.3
373.12927	5.0
417.11307	3.4
419.13306	3.1
432.14139	24.1
433.14941	18.1
453.16629	6.6
485.19101	4.0
581.20410	18.6
737.29114	18.4
889.34052	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	889.5162
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
62.62533	0.0
63.50953	0.0
65.25594	0.0
67.63814	0.1
78.50884	0.0
78.95897	0.7
95.05035	0.1
95.19919	0.1
96.27884	0.0
97.06567	0.1
114.87774	0.1
120.32539	0.1
164.29523	0.1
235.20688	0.3
253.21733	100.0
254.22079	2.5
319.79123	0.1
441.26706	0.1
692.52924	0.1
729.65985	0.1
885.02551	0.1
889.51672	4.3
890.52008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78212	0.2
78.95900	4.9
110.98522	4.8
140.61757	0.2
167.01151	3.4
170.52058	0.2
171.91125	0.2
185.02167	2.6
280.83975	0.2
281.24860	100.0
282.25217	3.4
310.64737	0.2
449.26770	32.3
450.27145	1.1
751.36572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78212	0.2
78.95900	4.9
110.98522	4.8
140.61757	0.2
167.01151	3.4
170.52058	0.2
171.91125	0.2
185.02167	2.6
280.83975	0.2
281.24860	100.0
282.25217	3.4
310.64737	0.2
449.26770	32.3
450.27145	1.1
751.36572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	0.6
85.02917	0.5
85.39671	0.2
87.00874	0.4
92.12458	0.3
96.95969	0.3
99.00866	0.3
101.02425	0.6
107.76977	0.2
113.02449	0.4
116.05066	0.4
118.03008	0.3
119.05003	1.5
120.04529	2.0
125.02446	0.5
128.05104	0.3
131.03735	0.5
132.04596	1.9
134.06152	1.8
137.02394	0.3
144.04546	7.7
145.02940	0.3
146.06117	10.2
147.03253	4.7
148.04025	1.4
151.46529	0.2
158.06128	1.1
159.03226	1.4
159.04524	0.3
160.04033	23.7
161.04817	2.9
162.05600	100.0
163.05945	2.8
172.04050	2.2
174.05615	2.2
175.02710	0.6
176.03476	0.5
176.07184	1.3
178.05093	1.0
185.04813	0.3
186.05637	2.8
187.02791	1.9
188.03528	25.0
189.03848	0.3
190.05101	5.9
191.05478	0.3
197.04605	0.3
202.05116	3.1
204.03041	1.0
204.06616	5.0
206.04591	49.6
207.04929	1.7
214.05020	0.3
228.06679	1.1
230.04572	4.5
244.06190	0.4
247.04886	0.4
248.05646	9.1
269.04669	0.4
278.06775	0.4
290.06735	3.4
292.08383	0.3
308.07751	0.4
350.08786	5.2
361.16223	0.3
368.09863	0.3
541.14636	1.4
557.14209	9.2
583.15790	0.4
599.15265	1.5
641.16290	0.6
667.17908	0.6
685.19037	5.0
701.18494	3.0
892.24396	6.9
893.24335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	1.3
73.02930	0.2
74.03989	0.3
85.02927	0.5
86.83183	0.2
87.00900	0.3
91.01881	0.2
97.02919	0.5
101.02425	1.0
101.86692	0.2
107.05004	0.3
113.02455	1.3
116.05061	0.4
118.03024	0.2
119.05030	1.9
120.04512	1.5
122.02477	0.3
125.02400	1.1
128.05038	0.3
131.03726	1.4
132.04539	2.5
134.02504	0.3
134.03696	0.3
134.06146	1.8
144.03465	0.4
144.04546	9.4
145.02936	0.3
146.06111	10.7
147.03259	4.9
148.04048	1.6
149.06036	0.3
151.03838	0.3
158.06081	0.9
159.03244	1.2
160.01860	0.5
160.04034	25.6
161.04816	3.0
162.05597	100.0
163.05965	2.2
164.98683	0.3
172.03944	2.0
174.05577	1.7
175.02678	1.0
175.04057	0.3
176.03468	0.6
176.07152	1.1
178.05101	2.0
184.03912	0.3
186.01814	0.3
186.05615	3.5
187.02710	1.5
188.03522	34.1
189.03848	0.6
190.05080	6.2
200.07207	0.4
202.05032	2.8
204.03069	0.5
204.06622	5.0
206.04590	58.5
207.04889	1.7
214.04971	0.3
218.04532	0.3
226.05150	0.4
228.06636	1.7
230.04562	6.7
232.06123	0.3
239.75253	0.2
247.04872	0.4
248.03058	0.5
248.05627	13.8
249.05940	0.5
272.05557	0.4
277.30887	0.2
278.06705	1.5
288.52710	0.3
290.06760	3.6
308.07764	2.8
334.09360	0.3
350.08832	6.3
368.09665	1.8
410.10876	1.2
494.13217	0.3
515.24603	0.3
523.13989	0.4
541.14594	5.7
557.14233	4.4
576.13220	0.3
583.15326	0.4
599.15070	2.0
641.16498	1.4
659.16821	0.4
667.17010	0.3
683.17401	0.5
685.19122	4.4
701.18390	10.3
702.18707	1.2
719.19501	1.1
730.19385	1.2
892.23706	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	893.5761
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16499	0.1
64.39355	0.2
73.52962	0.2
78.95911	5.4
92.11687	0.2
93.37766	0.2
102.56174	0.2
110.11599	0.2
110.98533	5.8
147.62631	0.2
152.99580	0.3
167.01137	3.5
185.02196	3.3
187.18825	0.2
250.22153	0.2
258.14560	0.2
281.24863	100.0
282.21988	0.3
282.25201	8.5
283.25562	1.5
305.84930	0.2
449.26761	32.7
450.27203	3.7
451.27142	1.0
686.65399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56684	1.2
77.06651	1.2
83.88377	1.2
111.74934	1.2
114.21912	1.3
117.03458	36.4
118.15115	1.5
119.05027	3.1
134.03738	4.9
145.02962	100.0
160.01675	12.3
163.04041	1.5
175.03993	15.7
193.05046	3.0
199.93781	1.2
643.18542	1.5
755.89856	1.6
789.23230	1.6
831.23737	34.3
832.23615	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	895.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15242	0.3
72.34203	0.3
73.40614	0.3
83.08666	0.4
92.12389	0.9
93.03437	0.5
101.02399	0.4
105.95769	0.4
108.02157	1.6
116.05127	0.4
116.92854	6.6
119.05016	0.6
121.02963	0.8
131.03714	0.5
132.02188	0.8
132.04567	0.4
133.02939	2.5
134.03735	100.0
135.04535	15.4
136.01656	39.2
140.55338	0.5
144.04532	3.0
145.02989	0.5
146.03741	0.7
146.06129	6.8
147.04543	2.0
148.04256	0.5
148.05302	3.7
149.02478	1.8
149.06085	57.0
150.03229	10.9
151.04010	20.6
158.03781	0.5
160.01595	2.7
160.04050	1.8
161.02502	1.8
161.04793	0.5
161.06026	3.5
162.05588	4.0
163.03963	0.7
165.05577	4.1
172.04044	1.5
175.02719	1.1
175.03978	4.7
176.03517	1.6
188.03616	0.6
189.04121	0.6
190.02580	0.5
190.05116	9.5
193.05132	0.5
194.02234	0.5
202.05182	0.4
204.06688	3.9
206.04593	0.8
218.02222	1.8
218.08110	0.5
223.01660	0.4
229.09705	0.5
230.08180	0.8
231.09012	2.3
233.04576	2.2
245.09337	0.6
247.10944	3.9
248.11717	1.4
249.12448	0.5
263.14011	0.5
273.08820	6.5
274.09604	20.4
275.10266	2.0
289.11966	25.7
290.12222	0.6
297.11124	0.5
305.11502	1.7
379.12973	0.7
437.17200	1.9
438.17587	0.6
439.18756	6.3
455.18533	3.2
481.20084	0.4
492.24323	0.6
531.26782	0.5
535.25897	2.6
567.28076	0.7
577.23553	1.4
587.24329	0.5
591.25653	0.4
593.26239	26.3
594.25671	0.5
616.94910	0.4
685.32520	2.1
727.30072	3.9
743.33057	28.6
744.33441	0.7
745.31073	3.4
771.33551	0.6
877.36584	4.3
895.37732	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	895.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37613	0.1
63.72843	0.1
64.71588	0.1
78.95900	3.8
110.98527	3.8
123.90513	0.1
152.99590	0.2
167.01164	1.6
185.02184	3.1
261.22250	0.4
279.23297	100.0
280.23624	4.1
412.07962	0.1
447.25208	32.8
448.25497	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	896.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63005	0.5
71.01393	0.8
71.70198	0.6
74.41603	0.6
96.96040	0.7
101.02435	1.0
110.41078	0.7
111.72243	0.6
113.02448	1.2
119.05013	2.3
120.04535	1.4
122.02468	10.8
123.03271	0.8
125.02423	1.3
132.04543	5.2
133.01726	1.5
134.06168	1.3
138.05586	12.8
144.04553	7.6
146.06123	2.5
147.03313	2.6
148.04112	4.3
149.01230	0.7
160.04036	31.7
161.04681	1.5
162.05609	100.0
163.05966	5.0
166.05136	2.9
174.05669	2.3
175.04005	0.9
176.03467	0.8
178.05115	2.8
179.02248	1.1
186.05647	3.2
187.02718	1.2
188.03537	38.5
189.03954	0.8
190.05154	1.5
194.04596	7.7
200.03578	2.4
202.05188	2.9
204.06682	3.1
206.04613	59.4
207.04973	3.2
228.06703	1.0
230.04651	4.4
248.05675	12.3
278.06757	0.8
290.06619	1.3
308.07599	1.2
350.08862	2.6
368.09711	0.9
410.10910	2.2
450.74133	0.7
539.13361	0.6
557.14020	0.8
558.14502	0.8
701.18256	2.4
707.20007	0.9
892.22827	0.7
896.23560	22.6
897.23694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36250	1.0
66.03514	1.1
66.86668	1.0
74.02472	17.4
74.12817	1.0
82.02973	2.0
86.02464	6.5
87.05622	6.0
97.04060	1.9
99.05640	14.6
99.30280	1.0
101.07213	1.3
101.18616	1.0
109.04089	1.3
111.05728	1.7
116.01775	1.3
124.04043	1.7
127.05134	1.6
128.03528	39.2
135.05640	4.8
141.06697	5.4
143.04616	63.9
145.06134	3.5
146.04538	4.1
153.06689	2.5
160.00739	15.6
167.04620	6.0
167.08260	1.8
177.03421	4.7
179.04631	10.1
181.06242	1.5
185.05652	1.5
187.82167	1.1
192.07773	1.6
203.00546	1.1
210.08847	11.9
242.07637	1.4
254.07861	13.1
272.08905	15.9
288.06705	6.3
306.07681	100.0
813.62506	1.2
823.92157	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	0.3
73.02936	0.3
83.01368	0.3
87.00851	0.4
97.02940	0.2
99.00817	0.2
101.02430	0.4
104.02672	0.2
113.02440	0.4
117.03458	0.4
119.04978	0.2
125.02412	0.3
129.26724	0.2
132.02164	25.7
133.02982	2.1
134.03732	12.1
135.04497	0.2
137.02449	0.2
147.69403	0.2
149.06091	1.9
156.74776	0.2
160.01662	100.0
161.02400	4.8
175.04007	89.7
176.04355	2.0
178.02708	1.9
179.03485	0.9
193.05066	10.0
247.06226	0.2
265.07104	0.3
319.08200	0.8
337.09262	0.2
361.09131	0.9
423.02643	0.2
555.15424	0.4
583.17627	0.2
601.17932	0.2
607.16565	0.2
625.17590	0.9
643.18835	0.4
667.18726	0.7
685.20227	1.3
759.21289	0.3
801.22620	3.1
819.23743	3.4
861.24658	24.0
862.24756	2.4
874.04425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30229	1.5
67.65234	1.3
71.01381	9.6
85.02950	3.0
87.00888	5.9
91.01939	2.0
101.02454	6.4
112.42004	1.4
113.02415	2.9
116.05076	21.8
116.92818	3.7
119.01374	2.0
121.02940	6.7
122.02478	72.0
123.03273	10.5
125.02429	1.8
131.03767	10.4
132.04509	2.5
133.01686	12.7
134.03725	12.5
135.04535	3.1
138.05603	100.0
143.01337	1.6
144.04547	43.0
146.06122	85.8
148.04102	14.1
148.05147	2.7
149.01199	6.2
149.02444	24.3
149.06102	3.5
150.01857	2.0
150.06493	1.8
160.04012	9.9
162.05611	38.9
164.03609	2.4
164.04779	19.2
166.05070	31.0
170.37096	1.8
171.03316	1.7
172.04051	29.2
175.00380	17.1
175.03995	2.2
176.01170	4.0
179.02235	13.7
179.07191	2.1
188.03578	9.8
190.02739	48.4
190.05116	56.5
191.03477	11.0
193.01398	2.4
194.04587	63.6
205.05067	50.8
206.04587	7.4
208.03793	7.8
223.06107	21.5
232.06078	2.1
265.07153	2.9
418.11591	2.1
493.62064	1.9
496.14264	2.5
500.14465	2.1
544.15015	1.9
571.20972	2.0
580.12280	2.2
629.14209	1.9
673.19012	6.9
691.20154	19.9
702.20618	7.2
706.20154	10.4
724.21075	8.2
744.33295	3.4
897.25525	35.5
898.24725	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	898.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80952	0.5
70.01468	0.6
71.01387	5.1
71.01700	0.5
72.99297	0.6
81.10619	0.6
81.73075	0.6
85.02946	2.4
87.00848	0.6
89.02438	4.4
96.96023	1.0
108.61508	0.5
113.02447	3.5
119.05018	2.2
120.04558	0.9
123.04519	0.6
123.88318	0.5
125.02434	0.9
132.04526	4.0
134.03729	0.9
134.06116	1.3
137.02463	1.1
144.04552	5.5
147.03220	4.3
148.04002	1.2
149.02455	2.3
160.04047	27.6
161.04543	1.2
162.05608	100.0
163.05930	3.1
164.04799	2.7
174.05647	0.9
175.00368	3.9
175.03996	2.1
176.01144	1.0
178.05148	2.5
178.94110	0.5
187.02831	0.6
188.03542	31.3
190.02689	8.5
191.03392	1.0
193.05066	0.6
201.68945	0.6
204.06682	0.8
205.05089	8.7
206.04599	57.8
207.04947	1.4
208.03633	0.7
223.06163	3.1
248.05591	4.6
259.59494	0.6
265.07227	1.2
278.06677	0.8
340.13873	0.6
350.08859	3.5
410.11197	1.1
485.14746	0.7
496.55786	0.7
574.15588	1.2
674.20288	0.7
692.20764	8.6
778.21576	1.3
898.26318	18.2
899.27167	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	899.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68845	0.3
71.01369	1.6
72.99289	0.3
76.57613	0.4
83.01396	0.4
85.02947	0.6
87.00858	0.6
91.01906	0.3
96.95982	0.4
97.02916	0.6
99.00898	0.3
101.02463	1.3
113.02450	1.5
118.02966	0.4
119.05044	2.2
120.04543	1.9
121.02956	1.2
122.02494	0.5
125.02434	2.5
132.04561	3.9
134.06120	1.5
135.04515	0.4
137.02518	0.3
143.03503	0.5
144.04550	6.0
144.62157	0.3
146.06094	1.2
147.03256	4.6
148.04114	2.3
153.05629	0.5
158.06133	1.2
159.03217	0.7
160.01866	0.7
160.04039	27.9
161.02382	0.5
161.04752	3.2
162.05608	100.0
163.05949	2.5
174.05569	1.7
175.02664	0.5
175.04013	1.2
176.03461	0.5
176.07109	0.7
178.05116	3.0
184.03987	0.5
186.02026	0.5
186.05583	2.2
187.02814	2.1
188.03535	34.9
189.03833	0.6
190.05104	1.4
193.05130	0.4
197.04547	0.6
200.07262	0.4
202.05164	1.6
204.03206	1.1
204.06691	4.7
206.04604	55.8
207.04962	1.3
212.03433	0.4
226.05209	0.7
228.03011	0.3
228.06653	0.6
230.04570	5.2
248.05667	13.3
252.03442	0.4
272.05649	0.6
278.06693	1.6
290.06757	2.1
308.07837	3.7
334.39450	0.3
350.08920	2.4
368.09805	1.8
392.10031	0.5
410.10922	2.9
452.12073	1.4
557.13794	0.6
641.16235	0.4
683.16876	2.3
692.18298	0.4
701.18463	23.5
702.18842	1.6
719.19818	1.3
899.24261	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	899.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	0.8
80.26563	0.3
81.26230	0.3
89.02449	0.7
92.11716	0.6
101.02444	0.6
113.02390	0.3
119.03468	0.3
119.05105	0.4
120.04520	0.8
132.04556	1.2
134.06114	0.8
137.39629	0.4
144.04561	2.5
147.03294	3.3
160.04037	16.0
161.04723	0.5
162.05609	100.0
163.05940	2.4
176.03621	0.4
178.05107	1.3
188.03534	19.2
190.05162	0.4
204.06694	0.5
206.04608	64.7
207.04967	1.5
230.04649	0.5
248.05627	3.3
308.07794	1.9
337.68961	0.4
350.08585	0.9
368.09869	5.5
506.31079	0.4
530.15210	44.2
531.15814	1.8
705.56720	0.4
784.35754	0.4
918.76337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11983	0.1
65.14072	0.1
69.85726	0.1
73.15882	0.1
75.85169	0.1
76.57589	0.1
77.32718	0.1
78.95913	2.9
85.08627	0.1
110.98531	2.9
152.09325	0.1
152.99632	0.2
167.01143	1.4
167.02463	0.1
185.02205	2.7
281.24869	100.0
282.25201	3.4
312.44196	0.1
335.84189	0.1
355.95786	0.1
449.26764	27.6
450.26965	1.1
721.34229	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	899.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	0.9
71.00986	1.2
71.01387	34.1
71.07443	0.6
72.99324	2.3
73.02951	7.9
75.00862	0.7
75.36184	0.7
78.95892	1.5
83.01389	6.2
85.02965	10.3
87.00883	41.7
87.47091	0.6
89.02444	32.0
95.01377	3.1
97.02973	2.6
99.00876	0.8
101.02441	19.8
111.00883	0.8
113.02454	27.0
113.03253	1.0
116.92843	1.3
119.03503	9.6
125.02448	2.5
129.01909	1.0
141.01935	1.5
143.03496	4.5
149.04501	0.8
151.76086	0.7
152.99518	0.6
161.04526	9.0
179.05611	10.0
195.13892	7.0
254.72624	0.6
255.23346	5.5
263.23697	1.4
265.25351	0.8
275.23724	5.2
277.21811	7.7
279.23294	100.0
280.23605	7.0
281.23920	2.8
291.23349	1.0
293.24896	28.1
294.25162	0.9
295.22794	46.4
303.23309	1.2
321.24365	11.3
323.09875	30.0
333.24457	0.9
336.74844	0.7
341.10889	51.6
448.25330	0.8
581.29388	0.7
603.33923	41.5
604.34485	1.2
608.47803	0.8
679.28687	0.8
911.10278	0.8
931.68091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84539	0.1
67.84700	0.2
71.01383	1.5
73.02938	0.3
78.95895	7.6
83.01410	0.2
85.02950	0.3
87.00871	1.9
88.67068	0.2
89.02441	1.0
90.63980	0.2
96.36931	0.2
99.11356	0.2
99.68497	0.2
101.02431	0.9
110.98520	3.1
113.02440	0.5
116.92853	0.4
119.03522	0.2
140.01192	2.3
152.99580	0.3
154.71638	0.2
161.04535	0.3
167.01173	2.4
185.02209	1.2
196.03781	1.0
204.82214	0.2
214.04822	1.9
255.23303	100.0
256.23608	3.3
279.23288	45.4
280.23654	3.3
293.24844	0.9
294.25372	0.2
296.23105	0.3
323.09824	0.4
324.09955	0.3
341.11206	1.6
342.11096	0.3
441.58237	0.2
447.25186	16.3
448.25394	0.9
452.27856	30.6
453.28085	1.3
603.34039	0.4
604.33820	0.9
913.82208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03305	0.2
78.95898	56.2
86.85717	0.2
96.78217	0.3
96.96948	5.5
107.85387	0.3
120.50948	0.3
131.38098	0.3
131.47650	0.3
145.06146	0.3
150.98027	1.5
152.99583	100.0
171.00656	2.3
255.23300	3.7
281.24820	1.8
282.25336	0.4
293.31262	0.3
320.66861	0.4
409.23639	46.0
410.23846	1.3
614.44110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	3.4
73.54693	0.5
79.63730	0.5
80.75018	0.5
85.02938	2.4
89.02499	0.5
91.01913	0.7
93.03407	1.9
96.95988	0.9
101.02422	1.2
106.71684	0.6
110.00085	1.3
111.00870	1.0
113.02443	1.1
119.01385	4.6
119.95576	0.6
121.02953	3.5
125.02445	2.6
134.03740	0.9
135.04526	2.4
137.02419	1.1
137.99609	3.0
139.00385	6.4
144.04556	1.1
145.03004	0.6
147.00864	3.4
147.04527	1.0
148.01625	0.8
149.02441	21.0
150.03212	3.7
151.04022	0.7
152.01138	2.9
153.01933	42.9
154.02724	10.1
155.03423	0.6
160.04041	2.1
161.02385	0.9
162.03238	0.9
162.05568	6.8
163.04041	4.9
164.04787	20.6
165.01935	2.3
165.05551	2.4
166.02826	0.9
167.03470	1.3
168.04280	15.3
169.05067	9.2
169.34924	0.6
175.00369	33.9
175.04010	0.9
176.01143	7.9
177.01944	0.9
177.05678	0.6
179.07150	2.9
183.06546	0.8
188.03593	2.7
189.01979	0.6
190.02718	99.0
191.03497	14.1
192.04053	0.7
193.01416	1.0
193.05057	0.8
194.02196	1.2
194.05367	0.7
205.05072	100.0
206.04726	2.7
208.03793	4.2
209.04555	4.6
223.06116	18.8
304.41937	0.6
332.19415	0.6
337.09341	1.0
352.08179	2.3
353.08762	3.0
367.10367	35.9
368.10715	0.9
390.27432	0.6
537.16180	63.7
538.16595	2.9
699.21521	5.3
905.27136	12.7
906.27167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
77.23211	0.2
78.95898	3.3
81.57957	0.2
110.98531	3.6
152.99579	1.0
167.01088	1.3
172.43643	0.2
185.02208	3.2
201.66312	0.2
206.04779	0.2
248.50726	0.2
261.22339	0.3
279.23303	100.0
280.23682	3.6
283.58939	0.2
297.24295	1.1
316.28369	0.2
338.43607	0.2
339.25507	0.8
394.38882	0.2
447.25214	30.6
448.25430	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	908.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
92.12347	2.8
93.36247	0.9
119.05012	1.2
125.23555	0.8
125.66309	0.9
130.06596	1.8
131.56749	0.8
132.04576	2.0
134.06212	1.0
144.04529	6.1
147.03256	5.6
159.03270	1.3
159.91588	0.9
160.04028	29.2
161.04762	4.1
162.01955	2.1
162.05597	100.0
162.13811	0.8
163.05878	1.1
174.05579	2.1
174.63048	0.8
176.07191	1.3
185.07249	5.6
186.05627	4.0
188.03508	26.8
190.05087	1.2
202.05113	5.5
204.03145	1.4
204.06670	7.8
206.04594	46.4
229.06166	6.5
229.10712	1.1
230.04564	5.5
247.04721	1.3
248.05605	11.8
290.06628	5.2
308.07642	0.9
350.08746	7.5
362.61542	1.0
365.39520	0.9
367.44873	1.0
557.14233	14.5
558.13940	1.6
575.45654	1.1
599.15228	5.2
699.13531	1.1
701.18359	8.5
722.65222	1.0
733.34558	1.0
908.24304	6.0
911.30518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	4.7
76.97396	1.0
85.02927	1.4
86.03243	1.1
87.00879	1.2
91.39769	1.0
92.11787	1.3
101.02434	1.8
102.81777	1.2
113.02474	1.5
116.05066	1.1
119.05009	1.2
125.02428	1.4
126.41615	1.0
128.05107	1.8
131.03714	4.0
132.04556	2.1
134.03735	1.6
134.06181	1.2
143.03574	1.3
144.04568	16.0
146.06114	31.2
147.03293	5.1
149.02452	5.6
158.06058	1.1
160.04037	34.1
161.04785	2.6
162.05608	100.0
164.04755	1.4
172.04045	7.4
174.05554	1.3
175.00397	1.6
175.04019	1.6
178.05083	1.2
186.05611	4.1
187.02670	2.8
188.03537	40.5
190.02737	7.2
190.05096	17.2
193.05022	1.3
204.06563	7.6
205.05032	6.1
206.02629	2.1
206.04578	59.2
207.04930	1.3
223.06111	2.6
230.04576	7.1
248.05664	15.3
261.01886	1.4
275.80194	1.1
278.06650	2.0
290.06549	1.7
308.07770	2.4
350.08713	9.0
367.10623	1.3
394.11349	2.1
410.10339	1.2
452.11514	1.3
494.13226	1.3
512.14154	2.5
541.14618	2.0
625.16290	1.5
643.17816	4.8
685.18573	12.3
718.19562	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	909.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40827	2.1
66.15884	2.0
82.30061	2.3
88.98808	4.4
96.96017	3.3
108.02143	2.7
119.05008	4.5
123.04504	2.7
128.49298	2.4
131.05144	2.4
133.02936	2.5
134.03734	51.2
135.04524	5.2
136.01666	78.9
137.02483	4.6
146.06163	3.3
149.02475	11.0
149.06078	38.0
150.03253	36.9
151.00516	3.2
151.04021	62.8
153.13379	2.5
162.05606	5.9
163.03996	5.2
164.04765	3.3
165.05579	16.0
166.02708	5.8
175.04005	4.6
181.05101	4.0
193.05127	3.1
204.06638	5.4
205.05083	12.3
213.16644	2.4
220.07388	5.4
230.08385	2.8
248.11880	2.6
263.14215	3.2
273.08850	20.4
274.09613	85.1
289.11935	100.0
297.11362	5.2
370.35422	2.2
437.17212	4.3
438.18088	8.9
565.21051	10.9
689.28119	3.4
721.29901	26.5
855.33496	5.4
873.34393	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54289	0.3
71.88088	0.4
84.74642	0.4
93.03432	0.6
96.96019	1.5
116.86109	0.3
117.03506	1.7
119.05025	100.0
120.05379	1.8
145.02951	18.8
145.04076	0.7
156.33871	0.4
160.04013	0.3
161.02477	0.5
162.05658	1.6
174.05562	0.4
188.03625	0.4
206.04611	0.6
209.17470	0.4
215.38234	0.3
215.41898	0.3
217.60869	0.4
242.28235	0.3
248.17712	0.5
273.16101	2.7
279.85889	0.3
290.18774	20.3
290.22055	0.7
291.19165	1.3
316.16702	33.1
317.16907	0.6
393.35278	0.3
436.22461	82.0
437.22873	4.3
583.66040	0.4
593.77032	0.4
671.98608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47231	0.2
68.90686	0.2
68.96555	0.2
71.01375	0.2
71.02586	0.2
71.92087	0.2
75.71837	0.2
77.59636	0.2
85.02982	0.2
90.48009	0.2
105.03459	0.8
108.07490	0.2
113.02402	0.3
115.01862	0.3
117.03467	1.2
119.05022	0.3
132.02153	3.2
133.02948	41.7
134.03777	3.6
135.04517	2.7
149.06085	1.1
160.01643	4.2
161.02443	100.0
162.02805	1.7
163.03986	0.3
175.04001	6.5
178.02690	0.5
179.03532	2.0
193.05051	4.0
209.30962	0.2
551.01544	0.2
611.07294	0.2
671.18164	1.2
763.21393	0.3
797.64319	0.2
805.21948	2.1
847.23102	24.4
848.23743	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	910.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
105.03426	0.5
111.91537	0.2
117.03458	1.0
119.04986	0.2
123.04476	0.4
132.02174	3.4
133.02954	40.1
134.03786	3.8
135.04573	2.5
136.23988	0.3
149.06120	1.0
160.01669	4.8
161.02449	100.0
162.02774	2.0
163.04025	0.5
175.03996	6.0
176.16805	0.3
178.02708	0.3
179.03513	2.5
193.05057	3.1
200.01686	0.3
223.91388	0.2
265.07263	0.4
275.50653	0.3
295.33014	0.3
340.34186	0.3
462.61813	0.2
671.19098	0.5
805.21545	2.1
847.23114	25.9
848.22992	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	910.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	52.6
90.82405	0.1
96.77150	0.1
96.96952	6.3
111.08092	0.1
140.01199	1.0
150.97992	1.8
152.99582	100.0
153.99930	0.8
168.26053	0.1
171.00645	3.0
196.03833	0.5
200.90965	0.1
214.04866	1.2
279.23285	47.3
280.23624	2.5
404.78979	0.1
433.23624	31.6
434.23962	1.8
476.27856	15.5
477.28336	1.4
535.67206	0.1
741.44507	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	910.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	63.5
82.82211	0.2
96.96967	5.9
102.72666	0.2
103.75449	0.3
116.69667	0.3
140.01218	2.0
150.98019	1.7
152.99591	100.0
153.99947	0.6
171.00697	2.2
188.14359	0.3
196.03804	3.4
207.03078	0.3
214.04918	0.6
266.81506	0.3
279.23306	41.0
280.23682	2.2
351.91574	0.3
356.41922	0.3
433.23639	37.7
433.52222	0.3
434.23694	1.9
476.27856	21.5
477.28003	1.7
571.00696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62306	0.1
71.01369	0.2
72.01788	0.2
101.45970	0.2
105.03448	0.3
106.04256	0.2
107.04998	0.2
107.14852	0.2
109.02927	0.2
113.30235	0.2
119.05032	0.7
127.06985	0.2
133.02969	2.8
134.03737	69.0
135.04532	24.2
137.02373	0.3
145.02962	0.3
147.04533	0.9
148.05318	1.5
149.06087	60.6
150.06438	1.0
160.01680	1.4
161.02425	1.5
161.06075	1.0
162.03215	0.8
162.05629	0.3
162.71960	0.2
175.02736	0.3
175.04037	3.0
176.03537	0.9
188.03586	0.2
190.05121	2.0
204.06694	2.8
218.08250	0.4
229.09789	0.3
230.08171	1.1
231.09009	1.5
232.09814	0.8
240.65894	0.2
246.11322	0.8
247.10918	7.6
248.11601	3.0
259.10724	0.2
261.12387	0.3
263.14120	2.1
264.13919	0.2
267.06625	0.3
269.87537	0.2
273.08871	5.0
274.09631	19.1
275.10312	2.1
289.11975	36.1
290.12210	0.9
304.36276	0.2
342.42880	0.2
423.15561	2.1
424.16278	1.4
437.17099	0.3
439.18799	100.0
440.19153	4.4
475.16476	4.6
475.22726	0.4
476.16516	0.2
498.92291	0.2
641.61243	0.2
822.25751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.204
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84109	0.3
73.88691	0.3
78.95895	2.0
79.95741	2.3
81.28527	0.3
96.96007	100.0
114.91134	0.3
132.02191	0.5
134.03761	1.3
134.10757	0.3
143.33629	0.3
160.01657	5.2
162.05603	0.7
163.00374	0.3
175.04005	6.0
178.02782	0.4
193.05125	1.3
206.04582	0.3
230.99724	1.2
234.99304	0.4
246.75714	0.3
261.00516	0.3
275.99631	1.3
285.88028	0.3
286.05685	0.3
291.01642	0.4
345.02844	0.3
421.56500	0.3
474.01636	0.3
478.17352	0.3
595.14044	0.4
819.23596	0.6
857.18591	0.6
917.20428	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	917.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30585	0.3
71.70537	0.3
78.95885	5.2
92.12428	0.8
110.98531	5.3
115.68491	0.3
122.96869	0.3
136.66743	0.3
152.99588	2.4
167.01117	1.7
185.02179	3.8
255.23277	8.2
256.23624	0.4
279.23291	100.0
280.23590	5.0
365.26260	0.4
411.19934	0.3
447.25198	29.5
448.25601	1.9
483.27203	4.3
561.40308	0.4
749.47363	0.5
917.49591	6.6
918.51422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.518
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	8.4
83.93839	0.1
88.22474	0.1
96.96932	0.8
110.98510	0.3
150.98012	0.2
152.99582	17.5
171.00609	1.3
185.02147	0.3
185.33145	0.1
217.39061	0.2
227.03224	1.5
245.04332	1.0
255.23317	100.0
256.23715	2.2
279.23291	10.1
280.23569	0.2
328.90640	0.2
431.20313	0.2
433.23578	1.3
447.25192	3.3
483.27325	52.2
484.27814	1.6
625.45673	0.2
917.48993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	4.5
82.49751	0.3
89.88813	0.3
110.98505	4.1
149.38676	0.3
167.01161	2.4
185.02191	2.9
193.74748	0.3
247.45682	0.3
275.28928	0.4
281.24857	100.0
282.25211	3.2
430.55591	0.3
449.26755	30.5
450.27005	1.6
459.70413	0.4
460.64099	0.3
588.62262	0.4
643.40155	0.5
921.52588	9.5
922.53113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
89.18829	1.1
89.55367	0.8
103.03550	0.7
132.02155	21.5
134.03734	11.5
140.76140	0.9
149.06133	1.8
150.74313	0.8
151.19124	0.9
160.01651	100.0
161.02287	4.0
175.03992	85.6
176.04359	3.7
193.05026	9.8
437.51144	0.9
685.19885	1.5
801.22504	5.0
819.23596	5.6
835.22321	1.0
861.24469	34.8
862.24762	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	924.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34233	0.9
66.36329	0.7
67.13921	0.6
68.33167	0.8
68.53786	0.7
70.94444	0.7
75.82988	0.7
117.03423	0.9
119.05007	3.9
132.02153	24.0
133.03018	1.4
134.03723	12.5
145.02986	0.9
149.06071	1.4
150.20435	0.8
160.01645	88.8
161.02437	5.4
175.03993	100.0
176.04320	1.7
178.02751	1.5
193.05022	10.8
235.93694	0.8
264.67120	0.9
273.68082	0.9
369.80563	0.8
560.87354	0.9
577.14099	0.9
658.16876	0.9
685.20258	1.1
783.80811	0.9
801.22150	3.9
819.23657	4.2
831.22058	1.0
861.24561	35.1
862.24646	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	924.336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91058	0.3
70.21408	0.3
71.01380	20.2
72.99311	3.2
73.02937	1.3
74.33731	0.4
79.05537	0.5
83.01363	1.3
85.02942	3.6
87.00868	1.3
89.02435	24.6
95.01388	1.8
96.95990	2.3
101.02431	18.0
113.02438	9.1
119.03494	11.2
121.01702	0.7
122.02478	1.9
131.03473	0.8
133.01685	0.7
136.00316	0.4
138.05612	0.7
143.03444	0.5
145.10252	0.5
147.11797	4.3
148.04041	0.6
149.01173	58.2
150.01532	0.7
161.04565	1.4
162.48756	0.3
164.03526	32.0
179.05650	2.7
189.09361	0.4
191.10793	1.8
192.03003	7.4
209.11836	22.0
210.04138	0.5
211.89122	0.4
221.06682	0.5
389.18201	100.0
390.18539	3.1
534.14667	14.0
535.14929	0.6
745.71619	0.5
938.73499	0.4
952.68433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	4.3
81.18971	0.1
110.98524	1.0
122.00128	0.1
140.01190	1.9
152.99536	0.7
153.14519	0.1
160.89775	0.1
167.01135	0.4
180.73639	0.1
185.02191	0.9
196.03818	1.0
214.04849	1.8
226.78036	0.1
261.22345	0.4
279.23297	100.0
280.23645	5.6
447.25220	7.9
448.25687	0.6
476.27863	22.6
477.28180	1.8
520.95001	0.1
522.06323	0.1
581.15210	0.1
778.95709	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	924.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42986	0.1
76.58138	0.1
78.95898	12.0
85.97895	0.1
90.45895	0.1
94.40463	0.1
104.97475	0.1
110.98521	1.2
114.39546	0.1
122.00120	0.5
122.98517	0.1
134.98502	0.1
140.01181	4.2
152.99600	1.2
153.51874	0.1
162.17525	0.1
166.02647	0.1
167.01167	0.5
185.02194	1.1
185.41814	0.1
196.03806	7.4
214.04892	1.5
261.22168	0.5
279.23294	100.0
280.23624	4.6
447.25220	10.9
448.25247	0.6
476.27859	36.1
477.28220	1.9
643.75848	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	925.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	0.9
83.55049	0.5
85.02985	0.7
89.02440	0.5
93.03432	0.6
93.32622	0.4
96.96023	0.6
101.02462	0.6
113.02441	0.6
119.05023	1.8
120.04531	1.7
121.02933	0.6
126.13923	0.4
132.04556	1.0
133.02979	0.5
134.06099	1.1
144.04555	4.6
145.02936	0.6
146.06120	1.8
147.03281	5.0
148.04074	0.7
158.05998	0.6
159.03256	0.7
160.01886	0.7
160.04057	22.3
161.02463	0.8
161.04749	2.0
162.05609	100.0
163.05959	0.8
174.05585	1.7
175.00386	0.6
175.04056	0.6
176.03491	0.4
176.07166	0.7
178.05107	0.7
178.69568	0.5
186.05588	1.0
188.03534	22.5
189.03946	0.6
190.02756	3.0
190.05118	1.1
202.05107	2.0
204.06677	3.7
205.05066	3.6
206.04604	44.5
223.06081	0.9
230.04567	3.9
248.05626	5.2
265.07150	0.5
290.06699	4.6
308.07632	0.6
314.06534	0.5
350.08792	4.4
557.14197	29.4
558.14343	0.6
574.15759	0.9
719.21820	0.6
758.17072	0.5
925.25214	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	0.9
73.13063	0.5
76.29875	0.7
77.60828	0.5
92.12305	1.0
101.02409	1.0
102.64294	0.5
113.02525	0.7
116.40668	0.7
119.05007	3.5
120.04527	1.2
125.02412	1.2
128.03540	0.6
132.04536	2.8
134.03729	0.7
134.06117	0.7
144.04561	7.1
145.02916	1.4
146.06116	1.4
147.03236	3.5
148.04070	1.0
160.04034	25.6
161.02451	2.8
161.04703	2.7
162.05609	100.0
162.62929	0.6
163.05971	2.4
172.04077	1.0
174.05664	2.3
175.00270	0.9
175.04044	0.6
178.05084	3.1
185.76575	0.6
186.05551	1.3
187.02721	1.0
188.03535	32.8
189.03938	1.2
190.02744	4.3
190.05150	1.4
202.05194	1.1
204.06660	3.2
205.05075	3.9
206.04607	57.5
207.04930	1.2
228.06720	0.7
230.04596	4.5
248.05675	9.1
265.96072	0.6
266.64496	0.7
278.06494	0.9
290.06802	2.3
308.07742	3.6
350.08810	4.9
367.10413	0.8
368.10077	0.9
410.10837	2.5
487.60156	0.7
557.14276	8.0
574.15851	4.7
641.16296	0.9
659.17114	0.9
683.16943	0.7
701.18524	9.5
718.19745	1.0
719.19525	3.2
925.24896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	0.1
75.00835	0.1
78.95898	11.0
79.91396	0.1
99.00884	0.1
102.86617	0.1
105.08195	0.1
110.97868	0.2
110.98516	1.4
111.00787	0.1
113.02452	0.3
122.00111	0.6
128.66757	0.1
134.98515	0.2
140.01178	3.5
152.99544	1.2
166.02708	0.2
167.01141	0.5
185.02232	1.4
196.03804	6.5
210.80365	0.2
214.04860	1.5
226.42827	0.1
255.23315	4.6
281.24860	100.0
282.25192	4.2
423.25058	1.0
449.26770	9.5
450.27142	0.3
478.29434	34.2
479.29584	1.7
505.29965	1.0
839.88483	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	929.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
73.53876	0.5
75.00258	0.5
77.82818	0.6
78.95901	44.3
84.92922	0.6
86.97034	0.6
96.96957	9.9
105.02163	0.6
149.24506	0.6
152.99591	73.5
171.00658	2.5
197.31773	0.6
199.69748	0.6
223.00186	9.7
241.01204	18.0
259.02063	0.6
261.46381	0.6
279.23306	65.1
280.23575	1.4
315.04843	7.2
315.88177	0.8
318.62317	0.7
333.05933	0.6
480.68124	0.6
595.28992	100.0
596.29010	4.6
768.08789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93470	0.1
78.21984	0.1
78.95903	46.5
79.60265	0.1
87.16292	0.2
96.96956	6.1
110.70634	0.2
127.05118	0.3
145.06227	0.3
150.98000	1.7
152.99580	100.0
153.99905	0.8
171.00644	3.2
179.42325	0.1
255.23297	0.2
281.24863	3.2
282.25290	1.1
283.25412	0.3
407.28912	0.2
408.29187	0.3
409.23557	4.6
432.81119	0.2
435.25174	27.7
436.25522	1.7
478.92612	0.2
479.29813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79776	0.4
67.87132	0.3
71.01383	3.8
72.07318	0.4
72.99302	0.9
73.02968	0.6
85.02969	1.6
87.00873	2.0
87.24545	0.4
89.02435	2.2
89.03960	2.4
93.03452	41.8
94.03751	0.6
95.01394	0.6
96.96041	0.5
99.00850	0.9
101.02436	4.3
106.04221	0.5
107.05029	1.7
108.02158	0.4
113.02439	4.6
117.03445	6.2
121.02945	0.9
123.04469	0.5
131.03589	0.4
132.02174	8.0
133.02953	2.2
134.03737	100.0
135.04218	2.3
136.01668	8.6
137.02441	87.9
138.02724	0.7
139.04041	1.7
144.04605	0.4
146.06171	0.6
149.06075	12.2
151.04024	8.7
160.01660	31.5
161.02322	0.8
161.04526	0.5
162.05649	0.8
175.04005	28.8
176.04390	0.5
178.02711	17.7
179.03502	42.5
188.03644	0.6
190.05186	0.5
191.03514	0.7
193.05063	59.6
194.05377	0.9
206.04604	0.7
209.04556	2.0
221.04607	0.5
239.05632	4.0
281.06763	2.1
288.23621	0.5
299.07788	0.5
336.36966	0.4
413.10919	7.0
431.11935	6.4
443.12183	0.7
455.12091	3.6
461.13446	3.9
473.13068	8.5
493.44937	0.5
515.13776	0.8
533.14990	0.8
575.08612	0.5
575.16022	3.3
607.16699	4.6
617.17291	1.9
649.17657	0.9
709.19934	3.1
737.21545	10.8
755.22815	2.3
769.21594	1.8
931.27295	30.5
932.27356	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	931.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
78.61653	0.2
78.95902	11.6
80.96511	0.2
96.96957	1.2
111.38515	0.2
148.31393	0.2
150.98039	0.2
152.99591	28.5
171.00618	1.7
207.71671	0.2
227.03271	3.2
234.48193	0.2
237.22235	0.2
245.04257	0.8
255.23317	100.0
256.23648	2.2
267.44342	0.2
279.23215	1.6
308.39478	0.2
320.73407	0.2
326.80231	0.2
483.27365	58.9
484.27762	1.8
505.44510	0.2
575.42517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	4.9
72.99293	1.8
74.95570	0.8
81.59638	0.9
83.01376	2.0
85.02904	1.5
85.86920	1.0
89.00324	4.1
89.02408	2.0
91.01863	2.2
93.03445	38.6
95.01389	3.4
99.00837	1.0
101.02399	1.8
106.00603	6.6
111.00916	1.4
113.02435	4.4
121.02940	80.2
122.03220	1.4
123.00870	11.9
123.04496	1.6
127.00355	1.2
136.01656	6.7
137.02437	79.9
138.03233	9.0
139.00374	1.7
151.04047	7.7
153.05568	51.4
166.99876	10.6
167.03461	4.2
169.01440	1.3
179.03474	33.7
182.02203	32.8
183.40161	1.1
191.03751	1.3
197.04558	100.0
198.04871	1.1
239.05574	4.6
281.06570	2.0
291.19821	1.0
322.59091	1.0
413.10608	7.3
429.07858	1.0
431.11966	6.2
455.11667	2.2
461.12967	2.0
473.12878	6.8
575.16296	2.3
611.16296	1.3
617.17072	1.8
713.19348	5.4
737.21637	10.4
773.21191	5.9
793.16302	1.1
935.26788	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	1.6
83.01351	0.6
97.02919	1.1
101.02426	1.4
108.02170	3.6
113.02446	2.7
117.03417	1.0
121.02958	0.9
123.02611	0.7
123.04487	0.9
125.02398	1.2
128.50851	0.7
133.02928	0.9
136.01657	74.0
144.04535	1.0
145.02954	16.0
146.03749	54.7
146.06148	3.2
146.73253	0.8
147.04460	3.7
148.05309	14.2
151.04013	52.6
158.03722	1.0
159.04533	1.4
160.01712	1.5
160.04015	1.4
161.02402	0.9
161.06090	12.0
162.05556	4.9
163.03960	1.3
163.07697	0.9
172.01649	1.4
172.05330	0.7
173.02419	3.5
173.06143	0.9
174.03220	7.3
175.03954	2.7
177.01926	1.4
188.03474	1.1
189.01920	1.2
189.05556	10.4
190.02728	1.6
190.05070	1.0
191.03465	0.7
205.05093	2.3
206.04591	3.1
207.06621	6.9
217.01424	17.2
218.02225	54.5
219.02731	1.0
231.06401	0.9
232.03825	9.5
233.04579	100.0
234.04941	2.5
252.90434	0.6
275.05768	0.9
299.57635	0.6
367.08334	2.9
377.08224	0.7
385.09100	0.7
403.10388	11.2
412.84982	0.7
510.69016	0.8
567.36298	0.8
589.15430	4.9
641.17651	1.2
665.17169	1.2
683.18958	4.7
725.19495	25.9
726.19897	0.9
835.23907	1.3
944.15839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6424
Annotation	Unknow
Peak:m/z	Relative Intensity
79.24566	0.1
81.03434	0.2
83.05002	1.3
91.29742	0.1
121.55601	0.1
158.11946	0.2
162.05615	0.8
188.03589	0.2
190.60973	0.1
196.10471	0.2
206.04677	0.2
225.16057	1.1
249.54155	0.2
353.38873	0.2
355.71896	0.2
451.33041	1.2
524.85944	0.2
677.49585	0.2
903.66455	2.7
904.67035	0.2
939.64252	100.0
940.64435	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	940.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78799	1.0
69.05105	0.8
71.01373	1.0
78.99471	0.9
79.49171	0.9
84.58033	0.9
92.11752	1.9
108.02159	1.3
123.04581	1.5
133.02974	0.9
134.03723	68.9
135.04521	18.6
146.06133	4.5
149.04874	1.4
149.06061	37.0
151.63708	0.9
158.03696	1.4
159.04507	2.3
160.01654	4.8
160.04053	3.9
161.02489	1.3
162.05623	9.7
163.05916	1.4
173.06111	4.0
175.04025	7.8
188.03520	2.1
205.05029	1.0
206.04637	3.9
208.53333	1.0
220.82297	1.3
237.05751	1.3
238.06421	1.7
247.10728	1.1
248.11603	1.2
265.05002	3.5
266.05817	6.2
267.06616	8.1
274.09656	7.2
280.07260	1.4
281.08154	12.2
282.08975	7.6
283.09634	1.6
289.11981	6.6
295.09796	1.9
297.11292	2.2
299.10379	1.5
313.12033	1.6
378.12927	1.4
392.14835	1.3
394.16089	1.1
396.16852	1.7
407.12076	2.0
411.19022	1.4
421.14105	1.9
422.14893	14.0
435.15546	1.2
437.17227	16.1
577.22821	2.4
587.23956	5.2
603.22797	1.1
613.21802	5.5
727.29993	26.7
877.36609	100.0
878.36621	12.4
880.36902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
82.95399	2.0
108.02158	2.0
121.02945	2.1
126.87443	1.8
129.95122	2.0
134.03743	45.1
135.04480	13.9
141.28120	1.8
146.06075	3.2
149.06096	27.9
155.12224	1.9
160.01703	2.6
160.04041	7.5
162.05614	11.2
175.03975	3.9
188.03558	2.2
190.05087	2.9
204.77829	2.1
206.04645	3.4
267.06628	16.9
274.09567	8.1
282.08978	18.7
289.12082	9.6
297.11371	20.0
315.80759	2.0
376.25522	2.3
379.13245	2.9
390.12411	3.4
394.15262	2.7
407.12277	3.1
437.17352	4.0
577.23138	3.2
587.23969	12.5
613.22021	7.7
727.29932	20.8
734.46472	2.4
877.36713	100.0
878.37000	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	941.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	48.7
72.46158	3.2
73.02945	7.7
73.49503	3.2
81.82771	2.8
81.97765	3.3
83.01388	7.9
84.13646	3.1
85.02926	34.8
87.90412	4.2
89.02451	35.1
95.01405	6.7
99.00889	4.4
99.04509	15.2
101.02427	61.7
109.02936	4.1
113.02434	30.3
119.03487	5.7
125.02425	26.3
127.57239	3.1
132.24196	3.8
141.01991	3.5
143.03506	6.2
148.40346	3.7
154.74054	3.3
161.04550	13.1
165.09222	7.2
173.19269	3.3
473.36374	28.1
499.38306	5.0
797.47003	50.9
839.48126	21.8
879.51642	5.6
941.51239	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	941.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
72.26907	0.2
74.26762	0.2
78.95895	17.7
83.05056	0.2
96.96965	1.7
109.00591	0.2
134.98491	0.2
150.98019	0.4
152.99580	39.1
153.99800	0.2
154.58160	0.2
171.00610	1.6
227.03236	3.5
240.44106	0.3
245.04269	0.5
255.23586	0.2
261.22256	0.4
279.23291	100.0
280.23615	5.0
433.23602	0.9
470.60239	0.3
507.27301	66.4
508.27502	3.6
671.93188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5839
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02923	0.1
78.95895	12.5
80.61449	0.1
92.12443	0.2
94.99019	0.2
95.14829	0.1
104.97465	0.4
109.00585	0.1
110.98518	10.5
137.00081	0.7
139.04016	0.1
152.99564	0.4
167.01131	11.8
183.09401	0.1
185.02193	3.1
255.23325	0.2
261.22238	0.4
279.23285	100.0
280.23615	2.2
345.79956	0.1
369.34235	0.1
372.58017	0.1
374.50092	0.1
413.60730	0.1
447.25180	55.6
448.25525	1.3
539.99738	0.1
686.50482	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	944.5998
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37953	0.1
70.82467	0.1
78.95901	10.1
104.97450	0.7
107.30972	0.1
110.98526	9.7
115.62727	0.1
137.00089	0.2
152.99582	0.6
166.99722	0.3
167.01140	9.6
185.02174	1.9
202.77853	0.1
237.22160	0.3
255.23315	100.0
256.23703	2.4
281.24924	0.4
423.25226	52.1
424.25644	1.2
747.47455	0.2
777.15503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6114
Annotation	Unknow
Peak:m/z	Relative Intensity
73.29053	0.1
78.95903	14.3
80.17022	0.1
81.81361	0.1
122.00124	0.7
140.01186	5.2
152.99586	1.9
165.79782	0.1
166.02693	0.2
196.03815	9.7
214.04889	1.8
223.75148	0.1
226.61192	0.1
237.22044	0.1
255.23312	100.0
256.23639	3.2
392.18442	0.2
452.27859	54.8
453.28146	2.3
671.84778	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	952.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71166	0.2
78.95901	57.5
92.72068	0.2
96.96961	6.1
102.06470	0.2
104.91029	0.2
116.95950	0.3
150.98001	1.9
151.00427	0.3
152.99593	100.0
153.99934	0.6
171.00661	2.7
176.08755	0.3
183.45763	0.2
190.60756	0.3
255.23279	0.5
279.23309	3.2
395.99130	0.2
433.23642	40.3
434.23941	1.6
483.27219	0.4
529.93549	0.3
627.54218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	55.5
92.11658	0.2
96.96951	6.4
103.94474	0.1
105.69011	0.1
113.01817	0.1
150.98006	2.0
152.99582	100.0
153.99863	0.5
171.00629	3.1
231.57533	0.1
241.16647	0.1
279.23288	2.3
433.23611	38.6
434.23944	1.1
444.91129	0.1
476.27939	0.3
503.29581	0.1
531.50879	0.1
591.03662	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	955.5759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01907	0.1
68.19753	0.1
68.99817	0.4
69.03453	1.2
71.01380	4.5
72.99303	0.5
73.02937	0.2
75.00866	3.2
78.95897	6.5
81.04645	0.1
83.01380	1.6
84.20968	0.1
85.02942	5.3
87.00868	1.7
89.02434	1.2
91.03999	0.6
94.99039	0.1
95.01372	1.9
96.96928	0.2
99.00865	4.7
103.00381	0.5
104.97414	0.1
108.87459	0.1
110.97820	0.2
110.98525	3.4
111.00895	0.8
111.99301	0.1
112.01655	0.2
113.02441	7.3
115.00343	0.1
129.01947	0.2
131.03487	1.0
135.63383	0.1
139.00374	0.2
144.84962	0.1
151.03288	0.1
152.99583	5.2
157.01384	0.5
167.01111	1.1
185.02184	3.1
205.07257	0.5
223.08289	0.2
249.06158	3.5
255.23300	24.8
256.23639	0.9
267.07196	1.2
269.24786	0.2
279.23355	0.1
281.24860	100.0
282.25186	3.7
423.14539	0.1
435.25250	1.4
449.26758	29.0
450.27087	1.3
505.30222	28.7
506.30643	1.3
523.17084	0.1
739.19128	0.1
758.44684	0.1
955.66815	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	956.6002
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92024	0.0
68.10426	0.0
78.95898	51.5
89.46712	0.1
96.96954	6.8
112.59277	0.1
150.98010	2.1
152.99582	100.0
153.99883	0.5
169.70006	0.1
171.00630	3.7
201.47859	0.1
238.32205	0.1
241.07816	0.1
267.23203	0.1
279.23276	0.1
281.24872	1.6
330.84946	0.1
435.25189	31.1
436.25504	1.0
489.40149	0.1
610.53046	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	957.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	6.5
85.81329	0.3
88.35197	0.3
96.96916	0.6
106.86150	0.3
152.99585	11.5
171.00629	1.1
204.69997	0.3
221.69331	0.3
227.03333	1.5
245.04323	0.7
254.36876	0.3
254.51781	0.3
279.23276	0.5
281.24869	100.0
282.25244	3.3
394.80591	0.3
466.35913	0.3
509.28848	48.9
510.28976	2.2
867.75055	0.3
969.58185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84229	0.1
71.01389	0.3
78.95905	1.7
79.95733	2.9
94.92525	0.2
94.98112	0.2
96.92223	0.5
96.96004	100.0
97.95946	0.1
104.11600	0.1
118.96629	0.2
119.05048	0.2
125.02407	0.1
132.02171	1.6
133.02968	0.6
134.03714	1.1
135.04536	0.2
137.12332	0.1
143.85063	0.1
149.06085	0.2
160.01657	6.1
160.97687	0.1
161.02362	0.3
174.99239	0.1
175.03992	5.6
177.01910	0.2
178.02721	0.2
188.98793	0.2
189.05615	0.2
191.00299	0.2
193.05029	1.1
198.99329	0.1
210.99290	0.6
216.98204	0.8
217.00359	0.4
222.99203	0.2
229.00331	0.6
230.99765	1.6
231.96848	0.1
233.01300	0.2
234.99289	1.3
235.01399	0.1
249.00665	0.1
249.98105	0.1
257.98477	0.2
258.99286	0.8
263.99365	0.1
274.98767	0.1
275.99435	2.1
277.00360	1.5
287.99606	0.2
289.00290	0.3
291.01746	1.0
303.02069	0.1
318.00580	0.2
330.00632	0.2
333.03070	0.8
342.00540	0.2
343.01544	0.2
345.02786	0.4
353.03516	0.1
356.56522	0.1
363.04135	0.5
375.04031	0.2
411.04080	0.2
430.05505	0.2
639.12610	0.2
681.13898	0.5
747.32819	0.2
857.18658	0.2
861.24292	1.2
899.18793	1.1
917.20386	0.2
944.19409	0.5
959.21399	5.4
960.22144	0.6
965.75867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95894	5.6
96.96956	0.5
119.99020	0.1
125.57310	0.1
152.99574	11.8
171.00664	1.1
189.75867	0.1
227.03288	1.8
237.22260	0.2
245.04312	1.1
255.23305	100.0
256.23627	3.1
260.27823	0.1
279.23270	2.0
280.23599	0.1
312.86496	0.1
476.27734	0.4
483.27313	48.1
484.27643	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	961.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02351	1.4
70.53935	1.3
71.01379	8.5
72.99331	1.8
73.02943	1.6
83.89985	1.4
85.02946	5.8
87.00816	1.6
89.02437	3.5
93.03447	46.3
96.96027	5.4
101.02441	6.6
103.66601	1.4
107.01411	1.4
113.02437	6.5
119.01397	1.9
121.02952	14.5
123.04469	2.1
125.02456	1.4
132.02196	2.2
134.03780	11.7
135.04503	2.1
136.01659	10.3
137.02443	100.0
147.04594	3.6
149.02432	68.9
151.03984	5.8
152.01170	7.5
160.01648	3.2
160.03920	2.5
161.02408	1.7
162.05557	5.9
163.03954	2.1
164.04787	47.5
167.03525	14.2
175.00346	12.3
175.03990	2.7
178.02679	2.4
179.03493	53.6
179.06998	3.1
190.02710	29.7
193.01450	3.3
193.05109	6.0
205.05093	20.9
206.04709	1.8
208.03816	23.1
209.04532	6.9
223.06119	57.2
239.05669	5.7
248.09908	1.7
299.07578	2.3
314.26428	1.9
351.05801	2.9
413.10901	5.8
431.12091	6.9
455.11688	2.3
461.13049	8.0
473.13113	3.8
503.14368	2.1
515.13641	2.4
575.16089	6.1
637.17719	2.6
737.22113	11.8
739.20294	3.1
755.23077	2.1
961.28253	39.9
962.28680	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	961.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02351	1.4
70.53935	1.3
71.01379	8.5
72.99331	1.8
73.02943	1.6
83.89985	1.4
85.02946	5.8
87.00816	1.6
89.02437	3.5
93.03447	46.3
96.96027	5.4
101.02441	6.6
103.66601	1.4
107.01411	1.4
113.02437	6.5
119.01397	1.9
121.02952	14.5
123.04469	2.1
125.02456	1.4
132.02196	2.2
134.03780	11.7
135.04503	2.1
136.01659	10.3
137.02443	100.0
147.04594	3.6
149.02432	68.9
151.03984	5.8
152.01170	7.5
160.01648	3.2
160.03920	2.5
161.02408	1.7
162.05557	5.9
163.03954	2.1
164.04787	47.5
167.03525	14.2
175.00346	12.3
175.03990	2.7
178.02679	2.4
179.03493	53.6
179.06998	3.1
190.02710	29.7
193.01450	3.3
193.05109	6.0
205.05093	20.9
206.04709	1.8
208.03816	23.1
209.04532	6.9
223.06119	57.2
239.05669	5.7
248.09908	1.7
299.07578	2.3
314.26428	1.9
351.05801	2.9
413.10901	5.8
431.12091	6.9
455.11688	2.3
461.13049	8.0
473.13113	3.8
503.14368	2.1
515.13641	2.4
575.16089	6.1
637.17719	2.6
737.22113	11.8
739.20294	3.1
755.23077	2.1
961.28253	39.9
962.28680	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	961.5663
Annotation	Unknow
Peak:m/z	Relative Intensity
76.30627	0.1
77.24191	0.1
78.95899	3.5
83.05029	0.1
90.33781	0.1
92.11713	0.4
92.73298	0.1
94.99023	0.1
103.72649	0.1
106.02974	0.1
110.98519	3.3
116.14416	0.1
137.00122	0.1
143.34193	0.1
152.99597	0.4
164.90396	0.1
167.01132	1.5
176.12634	0.1
185.02182	3.1
251.69980	0.1
255.23288	0.1
261.22192	0.5
279.23294	100.0
280.23630	4.0
336.29218	0.1
382.60880	0.1
447.25198	30.0
448.25586	1.4
786.77826	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	961.5663
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95482	0.2
78.95907	4.2
81.50637	0.1
83.50909	0.1
92.11743	0.5
97.13831	0.1
110.98535	4.3
114.85539	0.2
152.99625	0.4
162.93759	0.2
167.01140	2.0
185.02208	2.6
235.38736	0.2
255.23380	0.2
261.22324	0.2
279.23309	100.0
280.23642	4.6
292.39005	0.2
447.25214	28.3
448.25519	1.6
452.68692	0.2
734.36139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6873
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05062	0.1
81.03453	5.9
81.03934	0.2
82.06609	0.1
83.05025	21.0
85.91564	0.1
87.10100	0.1
100.07660	0.5
107.06168	0.4
108.04548	0.6
125.07196	1.3
126.05602	0.7
143.08272	0.6
160.01534	0.2
160.04068	0.2
162.05623	1.0
188.03549	0.2
188.61481	0.1
199.18254	0.3
206.04607	0.2
207.15056	2.2
224.17711	4.1
225.16106	15.7
242.18692	1.1
243.16873	0.1
268.16794	0.2
290.22418	0.3
291.20807	0.2
295.10669	0.1
304.07135	0.1
309.21881	1.6
309.65262	0.1
324.26651	0.8
333.23029	0.8
339.27719	0.2
341.29269	1.5
351.24277	0.2
367.27234	1.5
385.28391	0.3
407.33972	0.3
433.31836	2.8
450.34586	2.0
451.32938	16.1
452.33249	0.5
506.41608	0.1
535.38953	0.3
550.43433	1.5
559.39484	0.2
565.44629	0.3
567.45947	1.4
593.43823	0.8
633.51160	0.1
659.48846	0.6
676.51251	1.2
677.49701	3.9
678.49902	0.2
776.60327	1.5
791.61426	0.4
793.64020	0.4
819.61615	0.2
885.65747	1.5
903.66650	100.0
904.66766	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	965.597
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	3.1
104.97433	0.1
110.98518	3.5
152.99576	0.2
155.49359	0.1
167.01131	1.5
185.02197	2.9
216.21870	0.1
269.80881	0.1
279.23422	0.1
281.24875	100.0
282.25223	4.0
306.34427	0.1
449.26773	27.6
450.27042	1.5
530.42908	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	966.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	3.9
90.95829	0.1
104.97473	0.1
110.98528	3.6
137.00056	0.1
152.99588	0.6
167.01126	1.7
185.02217	3.4
260.06787	0.1
261.22290	0.4
276.31119	0.1
279.23306	100.0
280.23657	3.1
310.46527	0.1
314.99719	0.1
447.25223	34.3
448.25647	1.5
693.36700	0.1
914.60034	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	966.5838
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08527	0.1
78.95895	4.0
108.91646	0.1
110.98522	3.4
114.30283	0.2
122.44165	0.1
152.99591	0.5
167.01134	1.1
168.36209	0.1
185.02174	3.0
206.12645	0.1
211.48244	0.1
234.69089	0.1
261.22284	0.5
279.23294	100.0
280.23651	3.8
360.12024	0.1
439.51044	0.2
447.25195	34.4
448.25659	2.0
476.68912	0.1
908.76050	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	966.6604
Annotation	Unknow
Peak:m/z	Relative Intensity
76.51003	0.5
81.03465	1.1
83.05029	7.1
84.05356	0.9
91.05525	0.5
96.96008	0.7
117.22506	0.5
135.04533	0.5
144.04611	0.6
160.04065	2.3
162.05641	5.4
186.91422	0.6
188.03535	1.3
206.04637	2.5
224.17664	0.9
225.16110	3.1
226.16429	2.4
451.33157	1.1
452.33401	2.2
453.33722	2.4
763.66602	0.7
788.25568	0.6
904.67157	3.7
905.67126	11.4
906.67542	27.3
907.65967	0.6
966.66125	100.0
967.66260	12.6
999.51233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6152
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	2.9
110.98518	3.2
137.00154	0.1
152.99548	0.3
167.01143	1.4
185.02213	3.0
251.64005	0.1
281.24863	100.0
282.25201	3.5
282.28351	0.1
368.32043	0.1
449.26764	31.9
450.27066	1.4
726.73657	0.1
794.51489	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	971.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	22.7
71.27328	0.4
72.99313	2.2
73.02932	4.2
75.00880	0.6
78.95894	2.8
79.22610	0.5
81.03455	0.6
83.01385	3.0
85.02944	4.4
87.00861	4.3
89.02438	21.5
95.01361	1.1
95.04972	0.6
97.02930	4.0
99.00873	1.0
101.02428	19.7
113.02438	8.8
115.03951	0.5
119.03506	7.0
125.02431	5.4
131.03520	0.6
133.05060	0.7
143.03484	3.2
147.19400	0.6
150.29686	0.5
150.79002	0.6
152.99611	1.1
161.04562	4.8
167.03406	0.8
167.10773	0.6
179.05576	2.6
179.14383	0.9
180.18027	0.5
195.13882	9.5
205.12384	0.7
221.06702	2.1
223.13438	9.0
227.30061	0.6
228.13620	1.0
235.08192	6.9
253.09335	1.3
256.13293	1.2
263.07709	0.6
275.20145	7.2
279.23297	65.8
280.23584	0.9
287.07797	2.5
293.21252	100.0
294.21487	1.3
305.08743	3.1
323.09958	0.8
397.13528	69.9
415.14606	21.9
469.17010	0.6
660.28870	0.6
677.37598	6.8
980.68616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6267
Annotation	Unknow
Peak:m/z	Relative Intensity
73.74905	0.1
78.95899	4.6
85.70883	0.1
122.00131	0.1
140.00180	0.1
140.01190	2.2
152.99597	0.8
196.03801	1.2
214.04907	2.5
255.23502	0.1
259.30087	0.1
281.24881	100.0
282.25232	2.6
290.48901	0.1
371.15808	0.1
478.29446	36.5
479.29666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6313
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.4
71.01356	0.4
73.21835	0.5
76.34544	0.4
76.57280	0.4
95.05007	0.9
97.02953	3.8
99.08141	0.7
113.09713	0.7
134.38283	0.4
139.11305	3.0
158.01114	0.5
165.12828	1.1
167.14459	0.6
171.10283	8.5
183.13861	2.1
185.11821	0.9
193.12468	0.5
210.08778	0.6
211.13448	6.5
225.04564	0.6
227.06046	2.7
239.06061	0.8
241.07368	0.7
253.14536	0.5
263.06058	0.7
265.07602	5.4
267.09152	5.7
281.07050	1.1
293.10675	0.6
293.21265	1.8
295.08685	0.7
305.40857	0.5
309.10175	0.7
311.22287	3.9
321.10239	3.0
323.11868	0.5
335.15460	0.8
337.13324	0.7
347.15381	2.7
349.16937	4.0
363.14572	0.5
365.16266	0.5
377.16388	0.9
381.15973	3.1
391.18015	1.0
398.78821	0.5
403.18036	1.7
417.23553	1.1
421.19098	18.1
422.19565	0.7
433.22897	3.9
435.20572	1.1
443.21118	2.7
447.20721	1.1
461.22250	25.2
503.26834	2.9
521.28076	4.6
543.30096	8.8
561.31268	8.7
574.61560	0.5
593.14191	0.5
643.38855	4.3
661.40039	100.0
662.40735	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	975.6267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	1.8
71.01385	27.4
73.02937	7.8
76.15894	1.0
78.95916	1.1
83.01376	2.6
85.02959	8.0
87.00871	7.3
89.02444	29.4
92.12328	1.8
95.01353	1.3
97.02952	6.0
99.00849	2.4
101.02441	27.7
113.02444	12.5
119.03471	8.4
119.94292	1.0
125.02449	11.6
129.16382	1.1
131.03461	1.3
136.52797	1.0
143.03525	4.5
145.58760	0.9
161.04573	5.7
171.10307	13.2
179.05632	2.1
221.06746	1.4
235.08203	11.4
248.06686	1.1
253.09267	1.4
277.21750	19.4
281.24857	100.0
282.25311	5.4
295.22745	20.1
305.08759	4.0
397.13495	94.8
398.13898	1.8
415.14563	29.1
679.39453	10.4
701.65686	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	977.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	2.8
72.99313	1.0
75.00882	2.4
78.95911	10.6
83.42884	0.2
85.02966	4.4
87.00887	1.4
89.02440	1.1
95.01377	1.0
99.00893	1.7
103.00404	0.3
104.97466	0.2
110.98533	9.6
113.02446	5.0
115.00397	0.2
116.92888	0.2
117.01916	0.7
129.01907	0.4
137.00052	0.4
167.01144	9.4
185.02188	2.4
205.07188	0.2
223.08029	0.2
240.87982	0.2
249.06128	0.9
261.22311	0.3
267.07236	1.0
273.48401	0.2
279.23306	100.0
280.23645	4.0
371.54742	0.2
405.79895	0.2
435.36978	0.2
447.25214	45.1
448.25626	2.4
470.17987	0.2
494.97452	0.2
529.30219	24.7
530.30664	1.3
536.97791	0.2
593.98462	0.2
653.54620	0.2
653.66510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02959	1.0
94.87258	0.1
96.85258	0.1
97.93135	0.1
99.00887	0.3
99.92579	11.4
100.92558	0.2
114.69666	0.1
114.93433	0.8
116.92854	100.0
117.01926	1.4
117.92870	1.7
126.89731	0.1
132.02171	0.3
160.01682	1.6
175.03996	1.6
193.05232	0.1
241.12686	0.1
861.24677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6056
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.3
71.01379	4.2
72.99291	0.3
73.02950	1.2
76.43523	0.1
81.03425	0.1
83.01368	0.7
83.05030	0.1
85.02940	1.6
85.65603	0.1
87.00874	3.0
89.02435	4.3
89.31259	0.1
92.12315	0.2
95.01385	0.5
97.02921	1.0
97.06570	0.7
99.00851	0.1
99.04435	0.1
101.02431	5.8
113.02438	2.9
119.03496	1.1
123.08144	0.7
125.02438	1.7
125.06049	0.4
125.09701	3.1
131.03448	0.2
137.09743	0.2
139.11292	1.3
141.09224	2.1
141.12840	1.4
143.03476	1.2
143.10817	0.3
151.07632	0.5
153.09229	1.4
155.10771	0.3
155.14409	1.9
157.12312	0.9
161.04538	1.4
167.10764	0.8
169.08681	0.3
169.12344	0.3
171.10277	1.8
179.05597	0.8
181.15984	0.5
183.01213	3.4
183.13904	0.3
185.11813	0.3
185.15407	0.2
199.09814	0.5
200.10518	2.7
203.05595	0.2
215.86534	0.1
221.06627	0.2
235.08229	1.6
237.22285	0.2
239.23801	0.8
244.39825	0.1
247.20750	0.3
249.22240	2.7
253.09317	1.0
265.21753	1.4
267.23337	1.5
275.20279	1.1
279.23303	17.0
280.23666	0.2
283.22745	0.6
287.07724	0.7
287.90903	0.1
293.21265	9.1
293.24329	0.4
305.08936	0.9
309.20740	0.1
311.17084	10.3
311.22311	100.0
312.17422	0.2
312.22601	1.9
397.13541	12.0
415.14630	6.8
597.32782	0.1
677.37573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.6369
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86261	0.4
71.01392	3.7
73.02933	0.5
74.96311	0.4
78.95884	0.9
85.02962	1.0
87.00872	0.7
89.02442	5.0
92.25909	0.5
92.87428	0.5
96.25716	0.5
97.02943	0.7
101.02449	4.6
113.02427	1.0
113.99503	0.5
119.03468	0.8
120.27586	0.6
125.02448	0.9
125.09703	0.5
127.11279	2.5
141.12856	4.3
143.10805	0.8
152.99596	1.1
157.12389	0.8
170.35619	0.5
171.10254	1.8
201.11314	0.9
235.08229	1.9
255.23410	0.7
279.23328	16.1
297.24426	7.9
312.17410	0.8
313.23788	3.7
315.25427	100.0
316.25800	3.1
397.13559	15.4
415.14548	4.1
537.18298	0.5
677.38025	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	995.6092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77644	0.1
70.28384	0.1
70.84418	0.1
72.22993	0.1
78.95901	17.8
82.32201	0.1
84.13708	0.1
87.91553	0.1
122.00110	0.7
122.98537	0.1
134.98540	0.2
140.01187	6.8
152.99586	2.3
153.00722	0.1
166.02736	0.2
196.03809	9.7
196.89484	0.2
200.36751	0.1
214.04866	2.5
221.32584	0.1
261.22253	0.4
278.04849	0.1
279.23312	100.0
280.23645	3.8
284.77200	0.1
327.47345	0.1
358.97803	0.1
476.27872	62.5
477.21558	0.1
477.28253	3.7
547.17969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6117
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	4.8
92.65302	0.1
113.39079	0.1
122.00144	0.2
140.01189	2.2
152.99574	0.8
156.01122	0.1
196.03804	1.4
214.04880	2.4
261.22073	0.5
279.23303	100.0
280.21225	0.1
280.23633	3.4
476.27872	34.8
477.28232	1.6
597.70624	0.1
919.79816	0.1
END